0 B11R2.432 CN1C2CCC1CC(=O)C2 Z362847958 [0,0,0,0,0,0|0,0,2]=2 1 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@@H](C2)O Z1741970166 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.432 N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O Z3824492556 [0,0,0,0,0,0|3,0,0]=3 3 B10R2.41 CN1C2C=CCC1CC2 Z4652335281 [1,0,0,0,0,0|0,0,2]=3 4 B10R2.41 CN1C2CCC1CNC2 Z3013892875 [1,0,0,0,0,0|1,0,0]=2 5 B10R2.41 CN1[C@H]2CC[C@@H]1CNC2 Z1198165847 [1,0,0,0,0,0|1,0,0]=2 6 B10R2.41 NC1C2CCCC1CC2 Z596252106 [1,0,0,0,0,0|2,0,0]=3 7 B10R2.41 O=C1C2CCCC1CC2 Z445152472 [1,0,0,0,0,0|2,0,0]=3 8 B10R2.41 OC1C2CCC1CNC2 Z3247243016 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.71 CC1CC2CCC(C1)N2 Z4574895384 [1,0,0,0,0,0|1,0,0]=2 10 B10R2.71 CN1CC2CCC(C1)N2 Z1741982028 [1,0,0,0,0,0|2,0,0]=3 11 B10R2.71 C[C@@H]1C[C@@H]2CC[C@H](C1)N2 Z4500645483 [1,0,0,0,0,0|1,0,0]=2 12 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 Z3244826328 [1,0,0,0,0,0|1,0,0]=2 13 B10R2.71 NC1CC2CCC(C1)C2 Z2900188186 [1,0,0,0,0,0|2,0,0]=3 14 B10R2.71 NC1CC2CCC(C1)S2 Z2904983927 [1,0,0,0,0,0|2,0,0]=3 15 B10R2.71 O=C1CC2CCC(C1)S2 Z1513596116 [1,0,0,0,0,0|1,0,2]=4 16 B10R2.71 OC1CC2CCC(C1)N2 Z727903334 [1,0,0,0,0,0|0,0,0]=1 17 B10R2.71 OC1CC2CNC(C1)C2 Z2703607581 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.1140 NC1CC2CCC(C1)S2(=O)=O Z2868220154 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.1140 O=S1(=O)C2CCC1CC(C2)O Z2757718010 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.1841 CN1C2CCC1CC(C2)C#N Z415654878 [0,1,0,0,0,0|1,0,0]=2 21 B12R2.1841 CN1C2CCC1CC(C2)CN Z802671526 [0,1,0,0,0,0|1,0,0]=2 22 B12R2.1841 NC1[C@H]2CC[C@@H]1C[C@@H](C2)CO Z3993308955 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.2898 CN1[C@H]2CC(=O)C[C@@H]1[C@H](C2)O Z5093836311 [0,1,0,0,0,0|0,0,2]=3 24 B10R1.30 CCC1CC(CCC1=O)C Z854046008 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.30 CN1CCN(C(C1)CN)C Z1169969121 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,0,1,0,0,0|2,0,1]=4 27 B12R2.1154 CN1[C@H]2CCC[C@@H]1CC(C2)N Z1198169339 [0,0,0,0,0,1|1,0,0]=2 28 B12R2.1154 NC1CC2COCC(C1)C2=O Z4946256225 [0,0,0,0,0,1|3,0,0]=4 29 B12R2.1154 N[C@@H]1C[C@@H]2CSC[C@H](C1)C2=O Z4925930166 [0,0,0,0,0,1|3,0,0]=4 30 B9R1.3 CC1CCCC(C1C)N Z104478930 [1,0,1,0,0,0|2,0,0]=4 31 B9R1.3 CC1CCCC(C1N)C Z359419654 [1,0,1,0,0,0|2,0,0]=4 32 B9R1.3 CC1CCCC(C1O)C Z335244846 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.34 CC1CC(CC(C1)N)C Z1203580437 [1,0,1,0,0,0|2,0,0]=4 34 B9R1.34 CC1CC(CC(C1)O)C Z1147526321 [1,0,1,0,0,0|1,0,0]=3 35 B9R1.34 CC1CC(CC(N1)C)O Z1198154849 [1,0,1,0,0,0|0,0,0]=2 36 B9R1.34 CC1CC(CC(S1)C)N Z2740389323 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.34 C[C@H]1C[C@H](C[C@H](N1)C)C Z3050333410 [1,0,1,0,0,0|1,0,0]=3 38 B9R1.69 CC1CC(=O)CCN1C Z825754016 [1,0,1,0,0,0|0,0,2]=4 39 B9R1.69 CC1CC(CCN1C)N Z825754018 [1,0,1,0,0,0|1,0,0]=3 40 B9R1.69 CC1CCC(CC1C)O Z1201617040 [1,0,1,0,0,0|1,0,0]=3 41 B9R1.2 CCC1CCCC(C1)N Z1210580079 [1,0,1,0,0,0|2,0,0]=4 42 B9R1.2 CCC1CCCC(C1)O Z1192057272 [1,0,1,0,0,0|1,0,0]=3 43 B9R1.2 CCN1CCCC(C1)O Z104478102 [1,0,1,0,0,0|2,0,0]=4 44 B9R1.2 CC[C@@H]1C[C@@H](CCO1)N Z2568676427 [1,0,1,0,0,0|2,0,0]=4 45 B9R1.2 CNC1CCCC(C1)O Z3064472236 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.2 COC1CCCC(C1)O Z104476334 [1,0,1,0,0,0|2,0,0]=4 47 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.15 CC1CCCCC1CN Z415655074 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.15 CCC1CCCCC1N Z368844574 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.15 CN1CCNCC1CF Z2753009171 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.15 CN1CCNCC1CN Z1255445303 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.15 CN1CCNCC1CO Z2738358229 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.15 CNC1CCCCC1C Z324553050 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [1,0,1,0,0,0|1,0,0]=3 56 B9R1.13 CC(N)CC1CCCO1 Z513796812 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [1,0,1,0,0,0|0,0,0]=2 58 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.33 CN1CCCC1CCN Z1255415415 [1,0,1,0,0,0|1,0,0]=3 61 B9R1.33 CN1CCCC1CCO Z607750234 [1,0,1,0,0,0|0,0,0]=2 62 B9R1.33 CNCC1CCCN1C Z827158786 [1,0,1,0,0,0|1,0,0]=3 63 B9R1.33 NC1CCCC1CCO Z1509036975 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.7 CC1CCC(C1)CCN Z3271769493 [1,0,1,0,0,0|2,0,0]=4 65 B9R1.7 CC1CCN(C1)CCO Z785808944 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [1,0,1,0,0,0|1,0,1]=4 67 B9R1.132 C[C@@H]1[C@@H](CCN1C)CO Z2442061117 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.48 CN1CCNCC(C1)O Z2310716518 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.48 C[C@@H]1CCNC[C@@H](C1)C Z2865591915 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.89 CCC1CCCCCN1 Z992736884 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.89 CCC1CCCNCC1 Z425362302 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,1,0,0,0|0,0,0]=2 73 B9R1.89 CNC1CCCNCC1 Z1171155633 [1,0,1,0,0,0|1,0,0]=3 74 B9R1.89 CNC1CCCOCC1 Z5794487564 [1,0,1,0,0,0|1,0,0]=3 75 B9R1.89 COC1CCCNCC1 Z2492774475 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.89 CSC1CCCCNC1 Z1462950888 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.89 NCC1CCCCCC1 Z415655096 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,1,0,0,0|2,0,0]=4 80 B9R2.68 C1CC2CCC(C2)N1 Z3719007183 [2,0,0,0,0,0|2,0,0]=4 81 B9R2.68 C1CC2CNCC1C2 Z1359881938 [2,0,0,0,0,0|2,0,0]=4 82 B9R2.68 C1CC2CNCC1N2 Z1741980016 [2,0,0,0,0,0|1,0,0]=3 83 B9R2.68 C1CC2CNCC1O2 Z1198181219 [2,0,0,0,0,0|2,0,0]=4 84 B9R2.68 C1CC2COCC1N2 Z1203732330 [2,0,0,0,0,0|1,0,0]=3 85 B9R2.68 C1CC2CSCC1N2 Z3013893876 [2,0,0,0,0,0|1,0,0]=3 86 B11R1.553 CC1CC(CC(S1(=O)=O)C)O Z4985249612 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.37 CCN1CC[C@H](C[C@H]1CN)C Z2491441332 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.167 CC(N)C1CN(CCN1C)C Z1245788127 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [0,1,1,0,0,0|1,0,1]=4 90 B11R1.228 CC1CCCN1C[C@H](O)CO Z2947223707 [0,1,1,0,0,0|2,0,0]=4 91 B11R2.63 CN1C2CCC1C(=O)NC2 Z1203735322 [1,1,0,0,0,0|1,0,1]=4 92 B11R2.120 CN1C2CCCC1C(=O)C2 Z5626300430 [1,1,0,0,0,0|0,0,1]=3 93 B11R2.120 CN1[C@H]2CCC[C@@H]1[C@H](C2)O Z5630804350 [1,1,0,0,0,0|0,0,0]=2 94 B11R2.232 CCN1C2CCC1CNC2 Z2867580639 [1,1,0,0,0,0|1,0,0]=3 95 B11R2.372 CC1(C2CCC1CNC2)O Z2733326890 [1,1,0,0,0,0|2,0,0]=4 96 B11R2.16 CCC1CC2CCC(C1)N2 Z2831445367 [1,1,0,0,0,0|1,0,0]=3 97 B11R2.16 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2 Z3013892974 [1,1,0,0,0,0|0,0,0]=2 98 B11R2.16 CO[C@@H]1C[C@H]2CN[C@H](C2)C1 Z5487302472 [1,1,0,0,0,0|2,0,0]=4 99 B11R2.16 NCC1CC2CCC(C1)S2 Z2832158620 [1,1,0,0,0,0|2,0,0]=4 100 B11R2.16 O=CC1CC2CCC(C1)O2 Z3035020250 [1,1,0,0,0,0|1,0,1]=4 101 B11R2.16 OC[C@@H]1C[C@@H]2CC[C@H](C1)N2 Z3235036994 [1,1,0,0,0,0|0,0,0]=2 102 B11R2.130 CC1C(=O)CC2CCC1N2 Z2694742906 [1,1,0,0,0,0|0,0,2]=4 103 B11R2.130 CC1C(CC2CCC1N2)O Z2738925514 [1,1,0,0,0,0|0,0,0]=2 104 B11R2.130 O[C@@H]1[C@@H](C[C@H]2CN[C@@H]1C2)O Z3766480416 [1,1,0,0,0,0|2,0,0]=4 105 B11R2.130 O[C@H]1[C@@H]2CC[C@@H](N2)C[C@H]1O Z4259736359 [1,1,0,0,0,0|0,0,0]=2 106 B11R2.526 CC1(CC2CCC(C1)N2)O Z1346385512 [1,1,0,0,0,0|0,0,0]=2 107 B11R2.526 CC1(CC2CCC(C1)S2)N Z3103509411 [1,1,0,0,0,0|2,0,0]=4 108 B11R2.526 O=S1(=O)CC2CCC(C1)N2 Z3301939284 [1,1,0,0,0,0|1,0,1]=4 109 B13R2.3890 CN1C2CCC1CC(C2)C(=O)O Z3032558000 [0,2,0,0,0,0|0,0,0]=2 110 B13R2.3890 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)C2=O Z3386907831 [0,2,0,0,0,0|2,0,0]=4 111 B13R2.3890 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)C2F Z5093820886 [0,2,0,0,0,0|2,0,0]=4 112 B13R2.3890 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)C2O Z3848070104 [0,2,0,0,0,0|2,0,0]=4 113 B13R2.249 NCCN1C2CCC1CC(C2)O Z2418413873 [0,2,0,0,0,0|0,0,0]=2 114 B13R2.4986 CC(=O)N1C2CCC1CC(C2)C Z2582146681 [0,2,0,0,0,0|1,0,0]=3 115 B13R2.4986 CC(C)N1C2CCC1CC(C2)N Z5185597012 [0,2,0,0,0,0|1,0,0]=3 116 B13R2.4986 CC(C)N1C2CCC1CC(C2)O Z905065862 [0,2,0,0,0,0|0,0,0]=2 117 B9R0.18 CCCCC(N)CCCC Z5099120554 [0,0,2,0,0,0|2,0,0]=4 118 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,0,2,0,0,0|1,0,1]=4 119 B9R0.46 CCCCCCC(C)NN Z1691545122 [0,0,2,0,0,0|2,0,0]=4 120 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,0,2,0,0,0|2,0,0]=4 121 B11R2.36 NC1CCC2CCCC2C1 Z1259341392 [0,0,1,1,0,0|2,0,0]=4 122 B11R2.36 OC1CCC2CNCC2C1 Z2327226166 [0,0,1,1,0,0|2,0,0]=4 123 B11R2.47 NC1CC2CCC1CC2O Z4958656174 [0,0,1,1,0,0|2,0,0]=4 124 B11R2.199 CN1C2CCNCC1CC2 Z1251353633 [0,0,1,1,0,0|1,0,0]=3 125 B11R2.1037 C1CCN2CCNC(C1)C2 Z3268388583 [0,0,1,1,0,0|2,0,0]=4 126 B11R3.412 NC1C2C1C3CCC2C3 Z2752749994 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,0,1,0,1,0|1,0,1]=4 128 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,0,1,0,1,0|1,0,1]=4 129 B9R2.8 CN1CC2CC(C1)N2 Z3013893659 [1,0,0,0,1,0|2,0,0]=4 130 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [1,0,0,0,1,0|1,0,0]=3 131 B9R2.39 NC1CC2CCC1C2 Z1250132652 [1,0,0,0,1,0|2,0,0]=4 132 B9R2.39 NC1CC2CCC1O2 Z1203586766 [1,0,0,0,1,0|2,0,0]=4 133 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [1,0,0,0,1,0|2,0,0]=4 134 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [1,0,0,0,1,0|2,0,0]=4 135 B9R2.39 OC1CC2CCC1C2 Z104479470 [1,0,0,0,1,0|1,0,0]=3 136 B9R2.39 OC1CC2CCC1O2 Z1255395449 [1,0,0,0,1,0|1,0,0]=3 137 B9R2.39 OC1CN2CCC1C2 Z1270446274 [1,0,0,0,1,0|2,0,0]=4 138 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [1,0,0,0,1,0|2,0,0]=4 139 B11R1.86 CC(O)CN1CCNCC1C Z995015012 [0,0,1,0,0,1|2,0,0]=4 140 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,0,1,0,0,1|1,0,1]=4 141 B11R1.90 CN1CCCC1CCC(=O)O Z2517419474 [0,0,1,0,0,1|1,0,1]=4 142 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,0,1,0,0,1|1,0,1]=4 143 B11R2.565 CN1C2CCCC1CNC2 Z4261454820 [1,0,0,0,0,1|0,0,0]=2 144 B11R2.565 O=C1C2CCCC1CCC2 Z1259338820 [1,0,0,0,0,1|2,0,0]=4 145 B11R2.565 O=C1C2CCCC1COC2 Z1509060896 [1,0,0,0,0,1|2,0,0]=4 146 B11R2.678 C=C1CC2CCCC(C1)N2 Z3768198553 [1,0,0,0,0,1|1,0,1]=4 147 B11R2.678 N[C@H]1C[C@H]2COC[C@@H](C1)C2 Z4595366328 [1,0,0,0,0,1|2,0,0]=4 148 B11R2.678 O=C1CC2CCCC(C1)N2 Z1262564614 [1,0,0,0,0,1|0,0,2]=4 149 B11R2.678 O=C1CC2CSCC(C1)N2 Z3244520874 [1,0,0,0,0,1|0,0,2]=4 150 B11R2.678 OC1CC2CCCC(C1)N2 Z1262607401 [1,0,0,0,0,1|0,0,0]=2