0 B15R2.61364 CC1(C)CC(=O)C2=C(C1)NC=CC2=O Amb28398178 [0,0,0,0,0,0|2,0,1]=3 1 B15R2.61364 CC1(C)CC(=O)c2c(Br)cccc2O1 Amb18693145 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.61364 CC1(C)CC(=O)c2c(N)cccc2O1 Amb26522264 [0,0,0,0,0,0|3,0,0]=3 3 B15R2.61364 CC1(C)CC(=O)c2c(N)ncnc2C1 Amb542468 [0,0,0,0,0,0|0,0,0]=0 4 B15R2.61364 CC1(C)CC(=O)c2c(O)cccc2O1 Amb18651073 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.61364 Cc1cccc2c1C(=O)CC(C)(C)O2 Amb18819327 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.8039 CC1(C)CCc2c(Cl)ncnc2C1 Amb26039819 [1,0,0,0,0,0|1,0,1]=3 7 B14R2.29496 CC1(C)CC(=O)c2ccccc2C1 Amb24491402 [1,0,0,0,0,0|2,0,0]=3 8 B14R2.29496 CC1(C)CC(=O)c2ccccc2N1 Amb22754743 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.29496 CC1(C)CC(=O)c2ccccc2O1 Amb1397720 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.29496 CC1(C)CC(=O)c2ccccc2S1 Amb22456889 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.29496 CC1(C)CC(=O)c2cccnc2C1 Amb22371961 [1,0,0,0,0,0|1,0,0]=2 12 B14R2.29496 CC1(C)CC(=O)c2cccnc2O1 Amb26549789 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.29496 CC1(C)CC(=O)c2cncnc2C1 Amb18185990 [1,0,0,0,0,0|0,0,0]=1 14 B14R2.29496 CC1(C)Cc2ccccc2C(=O)N1 Amb588328 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.29496 CC1(C)Cc2ncccc2C(O)C1 Amb22371962 [1,0,0,0,0,0|1,0,2]=4 16 B14R2.29496 CC1(C)NC(=O)c2cccnc2S1 Amb27815161 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.392063 CC1(C)CC(=O)c2c(Cl)cc(Cl)nc2C1 Amb22727884 [0,1,0,0,0,0|2,0,0]=3 18 B16R2.392063 CC1=CC(=O)OC2=C1C(=O)CC(C)(C)C2 Amb19667922 [0,1,0,0,0,0|3,0,0]=4 19 B16R2.392063 Cc1nc(N)nc2c1C(=O)CC(C)(C)C2 Amb6429450 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.119 CC(C)(C)Nc1ncnc(Cl)c1C=O Amb25142357 [0,0,1,0,0,0|2,0,0]=3 21 B14R1.119 COc1c(N)ncnc1NC(C)(C)C Amb27236577 [0,0,1,0,0,0|3,0,0]=4 22 B14R1.119 COc1c(N)ncnc1OC(C)(C)C Amb28068518 [0,0,1,0,0,0|3,0,0]=4 23 B14R1.4451 CC(C)(C)CC(=O)c1ccccc1Cl Amb6302066 [0,0,1,0,0,0|3,0,0]=4 24 B14R1.4451 CC(C)(C)C[C@H](N)c1cnccc1N Amb27206647 [0,0,1,0,0,0|2,0,1]=4 25 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1N Amb6315912 [0,0,1,0,0,0|3,0,0]=4 26 B14R1.4451 CC(C)(C)NC(=O)c1cccnc1Br Amb28123417 [0,0,1,0,0,0|3,0,0]=4 27 B14R1.4451 CC(C)(C)NC(=O)c1cccnc1Cl Amb6532162 [0,0,1,0,0,0|3,0,0]=4 28 B14R1.4451 CC(C)(C)NC(=O)c1nccnc1N Amb24415238 [0,0,1,0,0,0|3,0,0]=4 29 B14R1.4451 CC(C)(C)OC(=O)c1ccccc1N Amb18289540 [0,0,1,0,0,0|3,0,0]=4 30 B14R1.4451 CC(C)(C)OC(=O)c1cccnc1Br Amb8386285 [0,0,1,0,0,0|3,0,0]=4 31 B14R1.4451 CC(C)(C)OC(=O)c1cccnc1Cl Amb19959722 [0,0,1,0,0,0|3,0,0]=4 32 B14R1.4451 CC(C)(C)OC(=O)c1cccnc1F Amb28381525 [0,0,1,0,0,0|3,0,0]=4 33 B14R1.4451 CC(C)(C)OC(=O)c1cccnc1N Amb23598296 [0,0,1,0,0,0|2,0,0]=3 34 B14R1.4451 CC(C)(C)OC(=O)c1cnccc1N Amb28183703 [0,0,1,0,0,0|2,0,0]=3 35 B14R1.4451 CC(C)(C)OC(=O)c1cncnc1N Amb33746355 [0,0,1,0,0,0|1,0,0]=2 36 B14R1.4451 CC(C)(C)OC(=O)c1nccnc1N Amb25753704 [0,0,1,0,0,0|3,0,0]=4 37 B14R1.4451 CN(CC(C)(C)C)c1cccnc1N Amb27761149 [0,0,1,0,0,0|3,0,0]=4 38 B14R1.4451 Cc1ccccc1C(=O)CC(C)(C)C Amb6302037 [0,0,1,0,0,0|3,0,0]=4 39 B14R1.4451 Cc1ccncc1C(=O)NC(C)(C)C Amb27797173 [0,0,1,0,0,0|3,0,0]=4 40 B14R1.4451 Cc1ccncc1C(=O)OC(C)(C)C Amb24407149 [0,0,1,0,0,0|3,0,0]=4 41 B14R1.4926 CC(=O)c1c(O)ccnc1OC(C)C Amb27601024 [0,0,1,0,0,0|3,0,0]=4 42 B14R1.4926 CC(C)CC1=C(C(=O)O)C(=O)NC=N1 Amb25135382 [0,0,1,0,0,0|2,0,1]=4 43 B14R1.4926 CC(C)Cc1ncnc(Cl)c1C(=O)O Amb27953173 [0,0,1,0,0,0|2,0,0]=3 44 B14R1.4926 CC(C)Cc1ncnc(N)c1C(=O)O Amb25170231 [0,0,1,0,0,0|1,0,0]=2 45 B14R1.4926 CC(C)Nc1ncnc(N)c1C(C)C Amb27231227 [0,0,1,0,0,0|2,0,1]=4 46 B14R1.4926 CC(C)Nc1ncnc(N)c1[N+](=O)[O-] Amb1308441 [0,0,1,0,0,0|3,0,0]=4 47 B14R1.4926 CC(C)Oc1ncnc(N)c1[N+](=O)[O-] Amb3035744 [0,0,1,0,0,0|3,0,0]=4 48 B14R1.4926 CC(C)Sc1ncnc(N)c1C(C)C Amb28424353 [0,0,1,0,0,0|2,0,1]=4 49 B14R1.4926 Cc1ncnc(CC(C)C)c1C(=O)O Amb26035390 [0,0,1,0,0,0|2,0,0]=3 50 B14R1.4926 Cc1ncnc(NC(C)C)c1C(=O)O Amb27406821 [0,0,1,0,0,0|3,0,0]=4 51 B14R1.5958 CC(C)CC(=O)c1c(Cl)ccnc1Cl Amb28312820 [0,0,1,0,0,0|3,0,0]=4 52 B14R1.5958 CC(C)NC(=O)c1c(Cl)ncnc1Cl Amb32417505 [0,0,1,0,0,0|3,0,0]=4 53 B14R1.5958 Cc1cccc(N)c1C(=O)OC(C)C Amb18979296 [0,0,1,0,0,0|3,0,0]=4 54 B14R1.5958 Cc1ccnc(Cl)c1C(=O)NC(C)C Amb23452777 [0,0,1,0,0,0|3,0,0]=4 55 B14R1.5958 Cc1ccnc(N)c1C(Cl)CC(C)C Amb27589209 [0,0,1,0,0,0|2,0,1]=4 56 B14R1.6818 CC(C)(CCO)Nc1cc(N)ncn1 Amb28053884 [0,0,1,0,0,0|1,0,2]=4 57 B14R1.6818 CCCC(C)(C)Nc1cc(N)ncn1 Amb28077458 [0,0,1,0,0,0|2,0,1]=4 58 B14R2.8052 CC1(C)OC(=O)c2c(N)cccc21 Amb27477937 [0,0,0,0,1,0|3,0,0]=4 59 B14R2.8052 CC1(C)OC(=O)c2c1ccnc2Cl Amb13951784 [0,0,0,0,1,0|3,0,0]=4 60 B14R2.8052 CC1(C)OC(=O)c2c1ccnc2N Amb23505772 [0,0,0,0,1,0|2,0,0]=3 61 B14R2.8052 Cc1cccc2c1C(=O)CC2(C)C Amb27587325 [0,0,0,0,1,0|3,0,0]=4 62 B14R2.24368 CC1(C)CC(=O)C2=C(C1)SSC2=S Amb24116245 [0,0,0,0,1,0|3,0,0]=4 63 B14R2.24368 Cc1coc2c1C(=O)CC(C)(C)C2 Amb9767518 [0,0,0,0,1,0|2,0,0]=3 64 B14R2.24368 Cc1noc2c1C(=O)CC(C)(C)C2 Amb2227411 [0,0,0,0,1,0|2,0,0]=3 65 B14R2.24368 Cc1noc2c1C(=O)NC(C)(C)C2 Amb27476200 [0,0,0,0,1,0|3,0,0]=4 66 B14R2.24368 Cc1onc2c1C(=O)CC(C)(C)C2 Amb9687875 [0,0,0,0,1,0|2,0,0]=3 67 B14R2.24368 Cc1onc2c1C(=O)NC(C)(C)C2 Amb27810925 [0,0,0,0,1,0|3,0,0]=4 68 B14R2.28486 CC1(C)Cc2cccc(Cl)c2C1=O Amb27245475 [0,0,0,0,1,0|3,0,0]=4 69 B13R1.115 CC(C)Nc1ncnc(Cl)c1C=O Amb27487921 [1,0,1,0,0,0|2,0,0]=4 70 B13R1.115 CC(C)Sc1ncnc(Cl)c1C=O Amb27454738 [1,0,1,0,0,0|2,0,0]=4 71 B13R1.115 CCc1c(N)ncnc1NC(C)C Amb27608891 [1,0,1,0,0,0|1,0,1]=4 72 B13R1.115 COc1c(N)ncnc1OC(C)C Amb27816173 [1,0,1,0,0,0|2,0,0]=4 73 B13R1.151 CC(C)(C)Nc1ncnc(N)c1Cl Amb27465618 [1,0,1,0,0,0|2,0,0]=4 74 B13R1.151 CC(C)(C)Sc1ncnc(N)c1Br Amb28381817 [1,0,1,0,0,0|2,0,0]=4 75 B13R1.151 CC(C)(C)Sc1ncnc(N)c1Cl Amb28079458 [1,0,1,0,0,0|2,0,0]=4 76 B13R1.151 Cc1c(N)ncnc1NC(C)(C)C Amb27194930 [1,0,1,0,0,0|1,0,1]=4 77 B13R1.151 Cc1c(N)ncnc1OC(C)(C)C Amb27195531 [1,0,1,0,0,0|1,0,1]=4 78 B13R1.622 CC(C)(C)Cc1ccccc1C=O Amb27257895 [1,0,1,0,0,0|2,0,0]=4 79 B13R1.622 CC(C)(C)Oc1ccncc1C=O Amb28239738 [1,0,1,0,0,0|2,0,0]=4 80 B13R1.8379 CC(N)=C1C(=O)CC(C)(C)CC1=O Amb649693 [1,0,1,0,0,0|1,0,1]=4 81 B13R1.8379 CC1(C)CC(=O)C(=C(N)N)C(=O)C1 Amb1915301 [1,0,1,0,0,0|1,0,1]=4 82 B13R1.157 CC(C)(C)CCc1cccnc1N Amb27458916 [1,0,1,0,0,0|1,0,1]=4 83 B13R1.157 CC(C)(C)CNc1cccnc1N Amb27807910 [1,0,1,0,0,0|2,0,0]=4 84 B13R1.157 CC(C)(C)CNc1cnccc1N Amb28401128 [1,0,1,0,0,0|2,0,0]=4 85 B13R1.157 CC(C)(C)NCc1cncnc1N Amb28454551 [1,0,1,0,0,0|1,0,1]=4 86 B13R1.201 CC(=O)CC(=O)c1cncnc1C Amb27592437 [1,0,1,0,0,0|1,0,1]=4 87 B13R1.201 CC(C)=CC(=O)c1cncnc1C Amb28195721 [1,0,1,0,0,0|0,0,2]=4 88 B13R1.201 CC(C)NC(=O)c1cccnc1N Amb18965358 [1,0,1,0,0,0|2,0,0]=4 89 B13R1.201 CC(C)OC(=O)c1cccnc1N Amb27254731 [1,0,1,0,0,0|2,0,0]=4 90 B13R1.201 CC(C)OC(=O)c1cnccc1N Amb26903542 [1,0,1,0,0,0|2,0,0]=4 91 B13R1.201 Cc1ccccc1C(=O)CC(C)C Amb17198736 [1,0,1,0,0,0|2,0,0]=4 92 B13R1.201 Cc1ccncc1C(=O)CC(C)N Amb27253799 [1,0,1,0,0,0|2,0,0]=4 93 B13R1.201 Cc1ccncc1C(=O)NC(C)C Amb28065446 [1,0,1,0,0,0|2,0,0]=4 94 B13R1.201 Cc1ccncc1C(=O)OC(C)C Amb28345241 [1,0,1,0,0,0|2,0,0]=4 95 B13R1.201 Cc1ncncc1C(=N)NC(C)C Amb27852150 [1,0,1,0,0,0|2,0,0]=4 96 B13R1.201 Cc1ncncc1C(O)CC(C)C Amb27959667 [1,0,1,0,0,0|0,0,2]=4 97 B13R1.352 CC(C)(C)CC(=O)c1ccccc1 Amb6302036 [1,0,1,0,0,0|2,0,0]=4 98 B13R1.352 CC(C)(C)CC(=O)c1cncnc1 Amb27810611 [1,0,1,0,0,0|0,0,0]=2 99 B13R1.352 CC(C)(C)NC(=N)c1cncnc1 Amb27221243 [1,0,1,0,0,0|2,0,0]=4 100 B13R1.352 CC(C)(C)NC(=O)c1cccnc1 Amb3093773 [1,0,1,0,0,0|2,0,0]=4 101 B13R1.352 CC(C)(C)OC(=O)c1cccnc1 Amb10573247 [1,0,1,0,0,0|2,0,0]=4 102 B13R1.352 CC(C)(C)OC(=O)c1cncnc1 Amb28256810 [1,0,1,0,0,0|1,0,0]=3 103 B13R1.589 CC(=O)c1ccccc1CC(C)C Amb27226266 [1,0,1,0,0,0|2,0,0]=4 104 B13R1.589 CC(=O)c1cccnc1NC(C)C Amb28243456 [1,0,1,0,0,0|2,0,0]=4 105 B13R1.589 CC(=O)c1cccnc1OC(C)C Amb23571474 [1,0,1,0,0,0|2,0,0]=4 106 B13R1.589 CC(C)Cc1ncncc1C(=O)O Amb26346419 [1,0,1,0,0,0|1,0,0]=3 107 B13R1.589 CC(C)Nc1ncncc1C(=O)O Amb26520010 [1,0,1,0,0,0|2,0,0]=4 108 B13R1.589 CC(C)Oc1ncncc1C(=O)O Amb27829555 [1,0,1,0,0,0|2,0,0]=4 109 B13R1.589 CC(C)Sc1ncncc1C(=O)O Amb28454555 [1,0,1,0,0,0|2,0,0]=4 110 B13R1.2897 CCCc1ncnc(C)c1C(=O)O Amb26921512 [1,0,1,0,0,0|2,0,0]=4 111 B13R1.2897 CCCc1ncnc(Cl)c1C(=O)O Amb26018263 [1,0,1,0,0,0|2,0,0]=4 112 B13R1.2897 CCCc1ncnc(N)c1C(=O)O Amb28047440 [1,0,1,0,0,0|1,0,0]=3 113 B13R1.3787 CC(C)CCc1c(N)ncnc1Cl Amb32681893 [1,0,1,0,0,0|1,0,1]=4 114 B13R1.3787 CC(C)CNc1c(N)ncnc1Cl Amb23589356 [1,0,1,0,0,0|2,0,0]=4 115 B13R1.3787 Cc1ncnc(C)c1CCC(C)C Amb27829684 [1,0,1,0,0,0|1,0,1]=4 116 B13R1.4453 CCOC(=O)c1c(C)ccnc1N Amb23438885 [1,0,1,0,0,0|2,0,0]=4 117 B13R1.4453 CCOC(=O)c1c(C)ncnc1C Amb10071081 [1,0,1,0,0,0|2,0,0]=4 118 B13R1.4453 CCOC(=O)c1c(C)ncnc1Cl Amb22899723 [1,0,1,0,0,0|2,0,0]=4 119 B13R1.4453 CNCC(=O)c1c(C)ccnc1N Amb27655233 [1,0,1,0,0,0|2,0,0]=4 120 B13R1.4453 COCC(=O)c1c(C)ccnc1N Amb27488093 [1,0,1,0,0,0|2,0,0]=4 121 B13R1.4453 Cc1ccnc(N)c1C(=O)CCN Amb27168464 [1,0,1,0,0,0|2,0,0]=4 122 B13R1.250 CC(C)(C=O)Cc1ccnc(Cl)c1 Amb24434182 [1,0,1,0,0,0|2,0,0]=4 123 B13R1.250 CC(O)(C=O)Cc1ccnc(N)c1 Amb27795519 [1,0,1,0,0,0|2,0,0]=4 124 B13R1.250 Cc1cc(CC(C)(C)C=O)ccn1 Amb32943579 [1,0,1,0,0,0|2,0,0]=4 125 B13R1.250 Cc1cc(CC(C)(C)C=O)ncn1 Amb33212615 [1,0,1,0,0,0|1,0,0]=3 126 B13R2.222 CC1(C)CCc2cccnc2C1 Amb23536328 [2,0,0,0,0,0|1,0,1]=4 127 B13R2.5179 CC1CCc2c(Cl)ncnc2C1 Amb25762830 [2,0,0,0,0,0|1,0,1]=4 128 B13R2.5179 C[C@@H]1CCc2c(Cl)ncnc2C1 Amb27421562 [2,0,0,0,0,0|1,0,1]=4 129 B13R2.5179 C[C@H]1CCc2c(Cl)ncnc2C1 Amb24623683 [2,0,0,0,0,0|1,0,1]=4 130 B13R2.328 CC1CC(=O)c2ccccc2C1 Amb17594003 [2,0,0,0,0,0|2,0,0]=4 131 B13R2.328 CC1Cc2ncccc2C(=O)N1 Amb28251075 [2,0,0,0,0,0|2,0,0]=4 132 B13R2.328 C[C@@H]1CC(=O)c2cccnc2O1 Amb27780835 [2,0,0,0,0,0|2,0,0]=4 133 B13R2.328 NC1CC(=O)c2cccnc2C1 Amb18829722 [2,0,0,0,0,0|2,0,0]=4 134 B13R2.4818 Cc1ccnc2c1C(=O)CCC2 Amb18829937 [2,0,0,0,0,0|2,0,0]=4 135 B13R2.4818 Cc1ncnc2c1C(=O)COC2 Amb18829009 [2,0,0,0,0,0|2,0,0]=4 136 B13R2.4818 Nc1cccc2c1C(=O)CCC2 Amb22491494 [2,0,0,0,0,0|2,0,0]=4 137 B15R1.4810 CN(c1ncnc(Cl)c1C=O)C(C)(C)C Amb28200593 [0,1,1,0,0,0|2,0,0]=4 138 B15R1.5016 CCC(C)(C)Nc1ncnc(Cl)c1C=O Amb28197436 [0,1,1,0,0,0|2,0,0]=4 139 B15R1.8297 CC(C)(C)Nc1ncnc(N)c1[N+](=O)[O-] Amb1251727 [0,1,1,0,0,0|2,0,0]=4 140 B15R1.8297 Cc1ncnc(NC(C)(C)C)c1C(=O)O Amb31117769 [0,1,1,0,0,0|2,0,0]=4 141 B15R1.20670 Cc1nc(Cl)c(C=O)c(NC(C)(C)C)n1 Amb27773995 [0,1,1,0,0,0|2,0,0]=4 142 B15R1.4541 CC(C)(C)OC(=O)c1cccnc1NN Amb23598298 [0,1,1,0,0,0|2,0,0]=4 143 B15R1.4541 CNc1ncccc1C(=O)OC(C)(C)C Amb24062414 [0,1,1,0,0,0|2,0,0]=4 144 B15R1.7724 CC(C)(CO)NC(=O)c1cccnc1N Amb18273093 [0,1,1,0,0,0|2,0,0]=4 145 B15R1.7724 CC(C)(CO)NC(=O)c1cnccc1N Amb32641725 [0,1,1,0,0,0|2,0,0]=4 146 B15R1.8024 CC(C)(C)C(N)C(=O)c1cccnc1N Amb28321001 [0,1,1,0,0,0|1,0,0]=3 147 B15R1.8024 CC(C)(C)[C@@H](N)C(=O)c1cccnc1N Amb30023975 [0,1,1,0,0,0|1,0,0]=3 148 B15R1.8024 CC(C)(C)[C@@H](N)C(=O)c1cnccc1N Amb30023974 [0,1,1,0,0,0|1,0,0]=3 149 B15R1.8024 CC(C)(C)[C@H](N)C(=O)c1cccnc1N Amb35617629 [0,1,1,0,0,0|1,0,0]=3 150 B15R1.8024 CC(C)(C)[C@H](N)C(=O)c1cnccc1N Amb35617628 [0,1,1,0,0,0|1,0,0]=3 151 B15R1.8024 Cc1ccncc1C(=O)C(C)C(C)(C)C Amb27850392 [0,1,1,0,0,0|2,0,0]=4 152 B15R1.8024 Cc1ccncc1C(=O)C(N)C(C)(C)C Amb27426092 [0,1,1,0,0,0|2,0,0]=4 153 B15R1.8024 Cc1ccncc1C(=O)[C@@H](N)C(C)(C)C Amb35617625 [0,1,1,0,0,0|2,0,0]=4 154 B15R1.8024 Cc1ccncc1C(=O)[C@H](N)C(C)(C)C Amb30023970 [0,1,1,0,0,0|2,0,0]=4 155 B15R1.8313 Cc1ccnc(N)c1C(=O)OC(C)(C)C Amb33729182 [0,1,1,0,0,0|2,0,0]=4 156 B15R1.8421 CC(C)(C)OC(=O)c1cc(Br)cnc1N Amb33736378 [0,1,1,0,0,0|2,0,0]=4 157 B15R1.8443 CC(C)(C)OC(=O)c1ccc(Br)nc1N Amb33738903 [0,1,1,0,0,0|2,0,0]=4 158 B15R1.8443 CC(C)(C)OC(=O)c1ccc(Cl)nc1N Amb33746449 [0,1,1,0,0,0|2,0,0]=4 159 B15R1.8443 Cc1ccc(C(=O)OC(C)(C)C)c(N)n1 Amb33802718 [0,1,1,0,0,0|2,0,0]=4 160 B15R1.8443 Cc1nc(N)ncc1C(=O)OC(C)(C)C Amb33737748 [0,1,1,0,0,0|2,0,0]=4 161 B15R1.8443 Cc1ncc(C(=O)OC(C)(C)C)c(N)n1 Amb33736417 [0,1,1,0,0,0|1,0,0]=3 162 B15R1.3550 Cc1nc(C)c(C(=O)O)c(CC(C)C)n1 Amb31097158 [0,1,1,0,0,0|2,0,0]=4 163 B15R1.3550 Cc1nc(Cl)c(C(=O)O)c(CC(C)C)n1 Amb31137356 [0,1,1,0,0,0|2,0,0]=4 164 B15R1.3550 Cc1nc(N)c(C(=O)O)c(CC(C)C)n1 Amb31117778 [0,1,1,0,0,0|1,0,0]=3 165 B15R1.3550 Cc1nc(O)nc(CC(C)C)c1C(=O)O Amb18774232 [0,1,1,0,0,0|2,0,0]=4 166 B15R1.8295 Cc1ccnc(N)c1C(=O)C(N)C(C)C Amb27831714 [0,1,1,0,0,0|1,0,0]=3 167 B15R1.8295 Cc1ccnc(N)c1C(=O)[C@@H](N)C(C)C Amb35737500 [0,1,1,0,0,0|1,0,0]=3 168 B15R1.8295 Cc1ccnc(N)c1C(=O)[C@H](N)C(C)C Amb35737736 [0,1,1,0,0,0|1,0,0]=3 169 B15R1.5730 CC(C)(CC(N)=O)Nc1cc(Br)ncn1 Amb27262292 [0,1,1,0,0,0|2,0,0]=4 170 B15R1.5730 Cc1cc(NC(C)(C)CC(=O)O)ncn1 Amb27249121 [0,1,1,0,0,0|2,0,0]=4 171 B15R2.61348 CC1(C)Oc2ncnc(N)c2C=C1Br Amb24749816 [1,1,0,0,0,0|1,0,1]=4 172 B15R2.65793 Cc1nc(N)nc2c1C(=O)CC(C)C2 Amb840821 [1,1,0,0,0,0|1,0,0]=3 173 B15R2.13615 CC1(C)CC(=O)c2cncc(Br)c2C1 Amb28142927 [1,1,0,0,0,0|1,0,0]=3 174 B15R2.50278 CC1(C)CC(=O)c2cc(Br)ccc2C1 Amb28204258 [1,1,0,0,0,0|2,0,0]=4 175 B15R2.50278 CC1(C)CC(=O)c2cc(Br)cnc2C1 Amb24453402 [1,1,0,0,0,0|1,0,0]=3 176 B15R2.50278 CC1(C)CC(=O)c2cc(Br)cnc2N1 Amb25289837 [1,1,0,0,0,0|2,0,0]=4 177 B15R2.50278 CC1(C)CC(=O)c2cc(Cl)cnc2C1 Amb27612103 [1,1,0,0,0,0|1,0,0]=3 178 B15R2.63911 CC1(C)CC(=O)C2=C(C1)NC(=O)C=C2 Amb19516759 [1,1,0,0,0,0|1,0,1]=4 179 B15R2.63911 CC1(C)CC(=O)c2ccc(Cl)nc2C1 Amb13783500 [1,1,0,0,0,0|1,0,0]=3 180 B15R2.63911 CC1(C)CC(=O)c2ccc(O)cc2C1 Amb28381245 [1,1,0,0,0,0|2,0,0]=4 181 B15R2.63911 CC1(C)CC(=O)c2cnc(N)nc2C1 Amb6335881 [1,1,0,0,0,0|0,0,0]=2 182 B15R2.63911 CC1(C)CC(=O)c2cnc(S)nc2C1 Amb24122145 [1,1,0,0,0,0|0,0,0]=2 183 B15R2.63911 CC1(C)CC(=O)c2cnc([S-])nc2C1 Amb28644248 [1,1,0,0,0,0|0,0,0]=2 184 B15R2.63911 CC1(C)Cc2nc(N)ncc2C(N)C1 Amb18278108 [1,1,0,0,0,0|1,0,1]=4 185 B15R2.63911 CC1(C)Cc2nc(N)ncc2C(O)C1 Amb24119545 [1,1,0,0,0,0|0,0,2]=4 186 B15R2.63911 Cc1ccc2c(n1)CC(C)(C)CC2=O Amb2643299 [1,1,0,0,0,0|1,0,0]=3 187 B15R2.63911 Cc1ncc2c(n1)CC(C)(C)CC2=O Amb19078280 [1,1,0,0,0,0|0,0,0]=2 188 B15R2.89951 CNC1CC(C)(C)Cc2ncncc21 Amb18279548 [1,1,0,0,0,0|1,0,1]=4 189 B15R2.25162 Cc1nn(C)c2c1C(=O)CC(C)(C)C2 Amb2793435 [0,1,0,0,1,0|1,0,1]=4 190 B15R2.91551 CC1(C)CC(=O)c2c(C#N)coc2C1 Amb24407182 [0,1,0,0,1,0|1,0,1]=4 191 B15R2.155263 Cc1c(N)sc2c1C(=O)CC(C)(C)C2 Amb18150675 [0,1,0,0,1,0|2,0,0]=4 192 B15R2.155263 Cc1c2c(nn1C)CC(C)(C)CC2=O Amb25308128 [0,1,0,0,1,0|1,0,1]=4 193 B15R2.13165 CC1(C)CC(=O)C=C(c2cncs2)C1 Amb35640531 [0,0,1,1,0,0|2,0,0]=4 194 B15R2.13588 CC(C)(C)n1ncc2c(N)ncnc21 Amb17516694 [0,0,1,1,0,0|2,0,0]=4 195 B15R2.43543 CC1(C)CC1C(=O)c2cnccc2N Amb27817339 [0,0,1,1,0,0|1,0,0]=3 196 B15R2.15369 Cc1ccnc(N)c1C(=O)CC2CC2 Amb27949431 [0,0,1,1,0,0|1,0,0]=3 197 B15R3.216848 O=C1CC2(CC2)Oc3ncccc31 Amb32676231 [1,0,0,1,0,0|2,0,0]=4 198 B13R1.276 CC(C)(C)C(=O)c1cccnc1N Amb27827756 [0,0,1,0,1,0|1,0,0]=3 199 B13R1.276 CC(C)(C)C(=O)c1cnccc1N Amb28059896 [0,0,1,0,1,0|1,0,0]=3 200 B13R1.276 Cc1ncncc1C(=O)C(C)(C)C Amb27776095 [0,0,1,0,1,0|1,0,0]=3 201 B13R1.3561 CC(C)(C)CC(=O)c1cscc1Br Amb27415846 [0,0,1,0,1,0|2,0,0]=4 202 B13R1.3561 CC(C)(C)OC(=O)c1ccsc1N Amb16232238 [0,0,1,0,1,0|2,0,0]=4 203 B13R1.3561 CC(C)(C)OC(=O)c1cnoc1N Amb25374964 [0,0,1,0,1,0|2,0,0]=4 204 B13R1.3561 CC(C)(C)OC(=O)c1cscc1N Amb33746213 [0,0,1,0,1,0|2,0,0]=4 205 B13R1.3561 CC(C)(C)OC(=O)c1ncsc1N Amb33803770 [0,0,1,0,1,0|2,0,0]=4 206 B13R1.3561 CC(C)(C)OC(=O)c1nonc1N Amb33732559 [0,0,1,0,1,0|2,0,0]=4 207 B13R1.3561 CC(C)(C)OC(=O)n1ccnc1N Amb23399633 [0,0,1,0,1,0|2,0,0]=4 208 B13R1.3561 CC(C)(C)OC(=O)n1cnnc1N Amb26948188 [0,0,1,0,1,0|2,0,0]=4 209 B13R1.3561 Cc1ncsc1C(=O)CC(C)(C)C Amb35632490 [0,0,1,0,1,0|2,0,0]=4 210 B13R1.3561 Cc1sccc1C(=O)CC(C)(C)C Amb27473907 [0,0,1,0,1,0|2,0,0]=4 211 B13R1.3561 Cn1cncc1C(=O)CC(C)(C)C Amb35622825 [0,0,1,0,1,0|2,0,0]=4 212 B13R1.3561 Cn1nccc1C(=O)CC(C)(C)C Amb27623119 [0,0,1,0,1,0|2,0,0]=4 213 B13R1.295 CC(=O)c1c(N)cccc1C(C)C Amb32687596 [0,0,1,0,1,0|2,0,0]=4 214 B13R1.295 CC(=O)c1c(O)ccnc1C(C)C Amb32416456 [0,0,1,0,1,0|2,0,0]=4 215 B13R1.295 CC(C)c1ccnc(N)c1C(=O)O Amb23451780 [0,0,1,0,1,0|2,0,0]=4 216 B13R1.295 CC(C)c1ccnc(N)c1C(N)=O Amb23451781 [0,0,1,0,1,0|2,0,0]=4 217 B13R1.295 CC(C)c1ncnc(Cl)c1C(=O)O Amb25952490 [0,0,1,0,1,0|2,0,0]=4 218 B13R1.295 CC(C)c1ncnc(N)c1C(=O)O Amb25969358 [0,0,1,0,1,0|1,0,0]=3 219 B13R1.295 Cc1ncnc(C(C)C)c1C(=O)O Amb25786504 [0,0,1,0,1,0|2,0,0]=4 220 B13R1.3534 CC(C)Cc1noc(N)c1C(=O)O Amb27946424 [0,0,1,0,1,0|2,0,0]=4 221 B13R1.3534 CC(C)Cc1noc(N)c1C(N)=O Amb27172266 [0,0,1,0,1,0|2,0,0]=4 222 B13R1.3789 Cc1ccnc(N)c1C(=O)[C@@H](C)N Amb35624186 [0,0,1,0,1,0|2,0,0]=4 223 B13R1.3789 Cc1ccnc(N)c1C(=O)[C@H](C)N Amb35618157 [0,0,1,0,1,0|2,0,0]=4 224 B13R1.5887 CC(C)NC(=O)c1c(N)cnn1C Amb24419426 [0,0,1,0,1,0|2,0,0]=4 225 B13R1.5887 CC(C)OC(=O)c1c(N)cnn1C Amb26368921 [0,0,1,0,1,0|2,0,0]=4 226 B13R1.5887 Cc1csc(N)c1C(=O)OC(C)C Amb17207816 [0,0,1,0,1,0|2,0,0]=4 227 B13R1.5887 Cc1nsc(N)c1C(=O)OC(C)C Amb27953319 [0,0,1,0,1,0|2,0,0]=4 228 B13R2.3736 CC1(C)CCc2c(N)noc2C1 Amb33072278 [1,0,0,0,1,0|1,0,1]=4 229 B13R2.3736 CC1(C)COc2c(N)cnn2C1 Amb25951245 [1,0,0,0,1,0|2,0,0]=4 230 B13R2.3736 CC1(C)COc2c(N)cnn2C1 Amb30586749 [1,0,0,0,1,0|2,0,0]=4 231 B13R2.4826 CC1(C)Cc2cccc(N)c2C1 Amb28143503 [1,0,0,0,1,0|2,0,0]=4 232 B13R2.4857 CC1C=C(Br)c2c(N)ncnc21 Amb27481924 [1,0,0,0,1,0|1,0,1]=4 233 B13R2.11642 Cc1coc2c1C(=O)CC(C)C2 Amb25295384 [1,0,0,0,1,0|2,0,0]=4 234 B13R2.11642 Cc1coc2c1C(=O)C[C@H](C)C2 Amb27256365 [1,0,0,0,1,0|2,0,0]=4 235 B13R2.243 CC1(C)Cc2ccccc2C1=O Amb16191937 [1,0,0,0,1,0|2,0,0]=4 236 B13R2.5232 CC1(C)CC(=O)c2ccoc2C1 Amb2477081 [1,0,0,0,1,0|1,0,0]=3 237 B13R2.5232 CC1(C)CC(=O)c2ccsc2O1 Amb18823654 [1,0,0,0,1,0|2,0,0]=4 238 B13R2.5232 CC1(C)CC(=O)c2cscc2O1 Amb18823653 [1,0,0,0,1,0|2,0,0]=4 239 B13R2.5232 CC1(C)CC(=O)c2ncoc2C1 Amb18828394 [1,0,0,0,1,0|1,0,0]=3 240 B13R2.5232 CC1(C)CC(=O)c2occc2C1 Amb27599358 [1,0,0,0,1,0|2,0,0]=4 241 B13R2.5232 CC1(C)Cc2sccc2C(=O)N1 Amb27190956 [1,0,0,0,1,0|2,0,0]=4 242 B13R2.12159 CC1(C)CC(=O)c2ccccc21 Amb6739860 [1,0,0,0,1,0|2,0,0]=4 243 B15R1.5802 CC(C)(C)CC(=O)Nc1cccnc1Cl Amb27459325 [0,0,1,0,0,1|2,0,0]=4 244 B15R1.5802 CC(C)(C)CC(=O)Nc1cccnc1F Amb35724961 [0,0,1,0,0,1|2,0,0]=4 245 B15R1.5802 CC(C)(C)OC(=O)Cc1cccnc1N Amb32664407 [0,0,1,0,0,1|2,0,0]=4 246 B15R1.5802 CC(C)(C)OC(=O)Nc1cncnc1N Amb27607786 [0,0,1,0,0,1|1,0,0]=3 247 B15R1.8018 CC(C)(C)CNC(=O)c1cccnc1Cl Amb27860085 [0,0,1,0,0,1|2,0,0]=4 248 B15R1.8018 CC(C)(C)CNC(=O)c1cccnc1F Amb27166240 [0,0,1,0,0,1|2,0,0]=4 249 B15R1.8265 CC(C)CNc1ncnc(N)c1[N+](=O)[O-] Amb1252902 [0,0,1,0,0,1|2,0,0]=4 250 B15R2.141978 CC1(C)CNC(=O)c2ccccc2C1 Amb27759272 [1,0,0,0,0,1|2,0,0]=4 251 B15R2.61354 CC1(C)CC(=O)Nc2c(N)cccc21 Amb25939291 [0,0,0,0,1,1|2,0,0]=4