0 B14R2.598 CC1=C(N=C(S1)N)C2=CC=CC=C2 Z48847685 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.598 CC1=C(SC(=N1)N)C2=CC=CC=C2 Z48847500 [0,0,0,0,0,0|0,1,2]=3 2 B14R2.598 CC1=C(SC(=N1)N)C2=NC=CC=C2 Z235344741 [0,0,0,0,0,0|1,1,2]=4 3 B14R2.598 CC1=CC(=NN1C2=CC=CC=C2)N Z995041182 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.598 CC1=NC(=NN1C2=CC=CC=C2)N Z1262627035 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.598 CC1=NC(=NN1C2=CC=CC=C2)S Z4121493744 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.598 CC1CC(C(N1)C)C2=CC=CC=C2 Z1259273392 [0,0,0,0,0,0|2,0,2]=4 7 B14R2.598 CC1CC(CN1C2=CC=CC=C2)N Z1266827579 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.598 CC1SC(=S)NN1C2=CC=CC=C2 Z56924970 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.10 CC1=NN=C(O1)C2=CC=CC=C2 Z57234656 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.10 NC1=CN=C(O1)C2=CC=CC=C2 Z164670576 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.10 NC1=NC=C(N1)C2=CC=CC=C2 Z1198173209 [1,0,0,0,0,0|1,0,2]=4 14 B13R2.10 NC1=NC=C(S1)C2=CC=CC=C2 Z235540446 [1,0,0,0,0,0|0,1,2]=4 15 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 Z56788716 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.10 NC1=NN=C(O1)C2=CC=NC=C2 Z285233812 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.10 NC1=NN=C(S1)C2=CC=CC=C2 Z57148448 [1,0,0,0,0,0|1,1,1]=4 20 B13R2.10 NC1=NOC(=C1)C2=CC=CC=C2 Z1020945160 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.10 NC1=NOC(=N1)C2=CC=CC=C2 Z56791884 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 Z1198151495 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.10 OC1=NN=C(O1)C2=CC=CC=C2 Z57663553 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.10 SC1=NC=C(O1)C2=CC=CC=C2 Z498514660 [1,0,0,0,0,0|1,0,2]=4 30 B13R2.10 SC1=NN=C(O1)C2=CC=CC=C2 Z55879312 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [1,0,0,0,0,0|1,0,2]=4 32 B13R2.15 CN1N=CC=C1C2=CC=CC=C2 Z4760863280 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.16 NC1=NC(=C(S1)C2=CC=CC=C2)CO Z3271142624 [0,1,0,0,0,0|0,1,2]=4 35 B15R2.309 CN1N=C(C=C1C2=CC=C(C=C2)F)N Z1262628700 [0,1,0,0,0,0|2,0,1]=4 36 B15R2.324 CC1(OC(=NC1=O)N)C2=CC=CC=C2 Z1262627420 [0,1,0,0,0,0|1,0,1]=3 37 B15R2.324 CC1NC(=O)OC1(C)C2=CC=CC=C2 Z1216837324 [0,1,0,0,0,0|1,0,1]=3 38 B15R2.327 CC1(NC(=O)CC1C2=CC=CC=C2)C Z1270256397 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,0,1,0,0,0|2,0,1]=4 41 B13R1.42 CCNC(=O)NCC1=CC=CC=C1 Z44585735 [0,0,1,0,0,0|2,0,1]=4 42 B13R1.42 CCNC(=O)OCC1=CC=CC=C1 Z32025015 [0,0,1,0,0,0|1,0,1]=3 43 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 Z31478129 [0,0,1,0,0,0|3,0,0]=4 44 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [0,0,1,0,0,0|3,0,0]=4 45 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,0,1,0,0,0|3,0,0]=4 46 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,0,1,0,0,0|3,0,0]=4 47 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 Z1198155485 [0,0,1,0,0,0|1,0,2]=4 49 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [0,0,1,0,0,0|3,0,0]=4 50 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 Z1973465546 [0,0,1,0,0,0|3,0,0]=4 51 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,0,0,0,1,0|2,0,0]=3 52 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,0,0,0,1,0|2,0,0]=3 53 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,0,0,0,1,0|1,0,1]=3 54 B15R2.27 CC1=NC(=NC(=C1)C2=CC=CC=C2)N Z57259296 [0,0,0,0,0,1|1,0,2]=4 55 B15R2.27 CC1CC(=O)CC(C1)C2=CC=CC=C2 Z1251357884 [0,0,0,0,0,1|3,0,0]=4 56 B15R2.33 CC1=C(N=C(N=C1)N)C2=CC=CC=C2 Z1137168233 [0,0,0,0,0,1|1,0,2]=4 57 B15R2.325 CC1=C(SC(=N1)N)CC2=CC=CC=C2 Z445221644 [0,0,0,0,0,1|0,1,2]=4 58 B15R2.389 CC1=C(C=CC(=N1)N)C2=CC=CC=C2 Z1255493498 [0,0,0,0,0,1|1,0,2]=4 59 B15R2.389 CC1COC(C(N1)C)C2=CC=CC=C2 Z405745068 [0,0,0,0,0,1|1,0,2]=4 60 B15R2.389 C[C@@H]1NC(=O)CO[C@H]1C2=CC=CC=C2 Z2309992038 [0,0,0,0,0,1|1,0,1]=3 61 B12R1.27 C/N=C(\N)/NCC1=CN=CC=C1 Z1090000620 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,0,1,0,0,0|1,0,1]=4 63 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,0,1,0,0,0|1,0,1]=4 64 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [1,0,1,0,0,0|2,0,0]=4 66 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [1,0,1,0,0,0|0,0,2]=4 67 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [1,0,1,0,0,0|0,1,1]=4 68 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [1,0,1,0,0,0|2,0,0]=4 69 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 Z1255439670 [1,0,1,0,0,0|2,0,0]=4 70 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 Z366424654 [1,0,1,0,0,0|1,0,1]=4 71 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [1,0,1,0,0,0|1,0,0]=3 73 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [1,0,1,0,0,0|2,0,0]=4 74 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [1,0,1,0,0,0|2,0,0]=4 75 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [2,0,0,0,0,0|0,0,2]=4 76 B12R2.2 C1=CC=C(C=C1)C2=NN=CO2 Z55670800 [2,0,0,0,0,0|1,0,1]=4 77 B14R1.156 CNCCC(=O)OCC1=CC=CC=C1 Z3210329196 [0,1,1,0,0,0|2,0,0]=4 78 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 Z2943527868 [0,1,1,0,0,0|2,0,0]=4 79 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 Z1741979610 [0,1,1,0,0,0|1,0,1]=4 80 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 Z31725823 [0,1,1,0,0,0|1,0,1]=4 81 B14R1.756 CCC(C)C(=O)OCC1=CC=CC=C1 Z237551464 [0,1,1,0,0,0|2,0,0]=4 82 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 Z18259706 [0,1,1,0,0,0|2,0,0]=4 83 B14R1.85 CC(C(O)C1=CC=CC=C1)N(C)C=O Z2719291639 [0,1,1,0,0,0|1,0,1]=4 84 B14R1.549 CCC(CC(=O)O)CC1=CC=CC=C1 Z1262513310 [0,1,1,0,0,0|2,0,0]=4 85 B14R1.549 CCC(CC1=CC=CC=C1)NC(=O)N Z1088508442 [0,1,1,0,0,0|0,0,2]=4 86 B14R1.698 CC(CC(=O)O)CC1=CC=C(C=C1)Cl Z1269212618 [0,1,1,0,0,0|2,0,0]=4 87 B14R1.743 COC(=O)NC(C)CC1=CC=CC=C1 Z1509182330 [0,1,1,0,0,0|1,0,1]=4 88 B14R1.1485 CC(C)(CC(=O)O)CC1=CC=CC=C1 Z1251359785 [0,1,1,0,0,0|2,0,0]=4 89 B14R1.5978 CC(CC(=O)O)CC1=CC(=CC=C1)F Z1295543728 [0,1,1,0,0,0|2,0,0]=4 90 B14R1.1019 CCN(CC(=N)N)C1=CC=C(C=C1)F Z3358599829 [0,1,1,0,0,0|2,0,0]=4 91 B14R1.3297 CCC(NC(=O)CN)C1=CC=CC=C1 Z1449946402 [0,1,1,0,0,0|2,0,0]=4 92 B14R1.3642 CCC(C)(NC(=O)N)C1=CC=CC=C1 Z1153386323 [0,1,1,0,0,0|2,0,0]=4 93 B14R1.3642 CCC(O)(CC(=O)N)C1=CC=CC=C1 Z1198158614 [0,1,1,0,0,0|2,0,0]=4 94 B14R2.8 CNC1=NN=C(O1)C2=CC=CC=C2 Z1509142797 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.8 NCC1=NC=C(O1)C2=CC=CC=C2 Z1891774998 [1,1,0,0,0,0|0,0,2]=4 96 B14R2.8 NC[C@H]1CC[C@@H](O1)C2=CC=CC=C2 Z2146513810 [1,1,0,0,0,0|1,0,1]=4 97 B14R2.8 NC[C@H]1CC[C@H](O1)C2=CC=CC=C2 Z2160914657 [1,1,0,0,0,0|1,0,1]=4 98 B14R2.20 CC1=CC=C(C=C1)C2=NN=C(O2)N Z285233836 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.20 NC1=NCC(O1)C2=CC=C(C=C2)Cl Z1198155407 [1,1,0,0,0,0|0,0,0]=2 100 B14R2.20 NC1=NN=C(O1)C2=CC=C(C=C2)Cl Z56886272 [1,1,0,0,0,0|1,0,1]=4 101 B14R2.20 NC1=NN=C(O1)C2=CC=C(C=C2)O Z1198153882 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.22 NC1=NN=C(O1)C2=CC(=CC=C2)Br Z56950517 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.22 NC1=NN=C(O1)C2=CC(=CC=C2)Cl Z285233794 [1,1,0,0,0,0|1,0,1]=4 104 B14R2.22 NC1=NN=C(O1)C2=CC(=CC=C2)F Z285233852 [1,1,0,0,0,0|1,0,1]=4 105 B14R2.256 CC1=C(C=CC=C1)C2=NN=C(O2)N Z285233846 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.2950 CC1(NN=C(S1)N)C2=CC=CC=C2 Z235324689 [1,1,0,0,0,0|1,1,0]=4 107 B14R2.14 NCC1=C(OC=N1)C2=CC=CC=C2 Z2310679435 [1,1,0,0,0,0|0,0,2]=4 108 B14R2.14 NC[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z1860991496 [1,1,0,0,0,0|1,0,1]=4 109 B14R2.441 CC1(C(=O)CC1C2=CC=CC=C2)C Z1436533434 [0,1,0,0,1,0|2,0,0]=4 110 B14R2.441 CC1(C(=O)NC1C2=CC=CC=C2)C Z1198154811 [0,1,0,0,1,0|2,0,0]=4 111 B14R2.4400 CC1=CC=C(C=C1)C2NC(=O)C2C Z1273099352 [0,1,0,0,1,0|2,0,0]=4 112 B14R2.4473 CC1=CC=CC(=C1)C2NC(=O)C2C Z2065766482 [0,1,0,0,1,0|2,0,0]=4 113 B16R2.2905 CC(=O)N1N=C(SC1C2=CC=CC=C2)N Z56799674 [0,2,0,0,0,0|1,1,0]=4 114 B16R2.2880 CN(C)C1=NC(=O)C(O1)C2=CC=CC=C2 Z1509560706 [0,2,0,0,0,0|1,0,1]=4 115 B14R2.30 CC1=NCCN1CC2=CC=CC=C2 Z2732222644 [0,0,1,1,0,0|2,0,0]=4 116 B14R2.101 C1=CC=C(C=C1)CNC2=NCCN2 Z1089994872 [0,0,1,1,0,0|1,0,0]=3 117 B14R2.101 C1=CC=C(C=C1)CNC2=NCCS2 Z56858227 [0,0,1,1,0,0|2,0,0]=4 118 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 Z89241755 [0,0,1,1,0,0|0,1,0]=3 119 B14R2.19 NC1=NCC(N1)CC2=CC=CC=C2 Z1331044122 [0,0,1,1,0,0|1,0,1]=4 120 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,0,1,1,0,0|1,0,1]=4 121 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 Z1255419800 [0,0,1,1,0,0|1,0,1]=4 122 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,1,1,0,0|1,0,1]=4 123 B14R2.764 O=C(O)C1CC1CC2=CC=CC=C2 Z979743464 [0,0,1,1,0,0|2,0,0]=4 124 B14R2.768 NC(=S)NC1CC2=C(C1)C=CC=C2 Z1262566561 [0,0,1,1,0,0|0,1,1]=4 125 B14R2.4586 CC1C(C1C2=CC=CC=C2)C(=O)O Z1262523517 [0,0,1,1,0,0|2,0,0]=4 126 B14R2.2 N=C(N)CC1COC2=C1C=CC=C2 Z2092176790 [0,0,1,1,0,0|2,0,0]=4 127 B14R2.2 NC(=NC1CCC2=C1C=CC=C2)N Z1696871298 [0,0,1,1,0,0|1,0,1]=4 128 B14R3.630 O=C1N[C@@H]2[C@H]1CC3=C2C=CC=C3 Z2306832334 [0,0,0,1,1,0|2,0,0]=4 129 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,0,1,0,1,0|1,0,0]=3 130 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,0,1,0,1,0|2,0,0]=4 131 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,0,1,0,1,0|2,0,0]=4 132 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,0,1,0,1,0|2,0,0]=4 133 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,0,1,0,1,0|1,0,1]=4 134 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,0,1,0,1,0|2,0,0]=4 135 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,0,1,0,1,0|1,0,1]=4 136 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [0,0,1,0,1,0|1,1,0]=4 137 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,0,1,0,1,0|1,0,0]=3 138 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,0,1,0,1,0|1,0,1]=4 139 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,0,1,0,1,0|1,0,1]=4 140 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,0,1,0,1,0|1,0,1]=4 141 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,0,1,0,1,0|2,0,0]=4 142 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,0,1,0,1,0|2,0,0]=4 143 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,0,1,0,1,0|2,0,0]=4 144 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,0,1,0,1,0|2,0,0]=4 145 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,0,1,0,1,0|2,0,0]=4 146 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,0,1,0,1,0|2,0,0]=4 147 B12R2.22 N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z2301685436 [1,0,0,0,1,0|1,0,1]=4 148 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [1,0,0,0,1,0|1,0,1]=4 151 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [1,0,0,0,1,0|1,0,1]=4 152 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [0,0,0,0,2,0|0,0,1]=3 153 B14R1.520 CCCC(=O)NOCC1=CC=CC=C1 Z101951210 [0,0,1,0,0,1|2,0,0]=4 154 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 Z292402590 [0,0,1,0,0,1|2,0,0]=4 155 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [0,0,1,0,0,1|1,0,1]=4 156 B14R2.68 NC1=NCC(CN1)C2=CC=CC=C2 Z3300701118 [1,0,0,0,0,1|1,0,0]=3