0 B11R2.432 CN1C2CCC1CC(=O)C2 Z362847958 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@@H](C2)O Z1741970166 [0,0,0,0,0,0|0,0,2]=2 2 B11R2.432 N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O Z3824492556 [0,0,0,0,0,0|3,0,1]=4 3 B10R2.41 CN1C2C=CCC1CC2 Z4652335281 [1,0,0,0,0,0|0,0,1]=2 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|2,0,1]=4 7 B10R2.41 O=C1C2CCCC1CC2 Z445152472 [1,0,0,0,0,0|2,0,1]=4 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|1,0,1]=3 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|1,0,1]=3 12 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 Z3244826328 [1,0,0,0,0,0|1,0,1]=3 13 B10R2.71 NC1CC2CCC(C1)C2 Z2900188186 [1,0,0,0,0,0|2,0,1]=4 14 B10R2.71 NC1CC2CCC(C1)S2 Z2904983927 [1,0,0,0,0,0|2,0,1]=4 15 B10R2.71 O=C1CC2CCC(C1)S2 Z1513596116 [1,0,0,0,0,0|1,0,0]=2 16 B10R2.71 O=S1CC2CNC(C2)C1 Z5013437859 [1,0,0,0,0,0|3,0,0]=4 17 B10R2.71 OC1CC2CCC(C1)N2 Z727903334 [1,0,0,0,0,0|0,0,2]=3 18 B12R2.1140 O=C1CC2CCC(C1)S2(=O)=O Z1513632483 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.1841 CN1C2CCC1CC(C2)C#N Z415654878 [0,1,0,0,0,0|1,0,1]=3 20 B12R2.1841 CN1C2CCC1CC(C2)CN Z802671526 [0,1,0,0,0,0|1,0,1]=3 21 B12R2.2898 CN1[C@H]2CC(=O)C[C@@H]1[C@H](C2)O Z5093836311 [0,1,0,0,0,0|0,0,0]=1 22 B10R1.30 CN1CCN(C(C1)CN)C Z1169969121 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,0,1,0,0,0|2,0,0]=3 24 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,0,1,0,0,0|3,0,0]=4 25 B12R2.1154 CN1[C@H]2CCC[C@@H]1CC(C2)N Z1198169339 [0,0,0,0,0,1|1,0,1]=3 26 B9R1.34 CC1CC(CC(N1)C)O Z1198154849 [1,0,1,0,0,0|0,0,2]=4 27 B9R1.34 C[C@H]1C[C@H](C[C@H](N1)C)C Z3050333410 [1,0,1,0,0,0|1,0,1]=4 28 B9R1.69 CC1CC(=O)CCN1C Z825754016 [1,0,1,0,0,0|0,0,0]=2 29 B9R1.69 CC1CC(CCN1C)N Z825754018 [1,0,1,0,0,0|1,0,1]=4 30 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [1,0,1,0,0,0|1,0,0]=3 31 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [1,0,1,0,0,0|1,0,0]=3 32 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.15 CN1CCNCC1CF Z2753009171 [1,0,1,0,0,0|2,0,0]=4 34 B9R1.15 CN1CCNCC1CN Z1255445303 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.15 CN1CCNCC1CO Z2738358229 [1,0,1,0,0,0|2,0,0]=4 36 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,1,0,0,0|1,0,0]=3 37 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [1,0,1,0,0,0|2,0,0]=4 38 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [1,0,1,0,0,0|1,0,1]=4 40 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [1,0,1,0,0,0|0,0,2]=4 41 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,1,0,0,0|2,0,0]=4 42 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,1,0,0,0|1,0,0]=3 43 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,1,0,0,0|2,0,0]=4 44 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,1,0,0,0|1,0,0]=3 45 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.33 CN1CCCC1CCN Z1255415415 [1,0,1,0,0,0|1,0,1]=4 47 B9R1.33 CN1CCCC1CCO Z607750234 [1,0,1,0,0,0|0,0,2]=4 48 B9R1.33 CNCC1CCCN1C Z827158786 [1,0,1,0,0,0|1,0,0]=3 49 B9R1.132 CN1C(=O)CCC1C=O Z1513985273 [1,0,1,0,0,0|1,0,1]=4 50 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.48 CC1CNCCS(=O)C1 Z1868316786 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.48 CN1CCCNC(=O)C1 Z1031052044 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [1,0,1,0,0,0|1,0,1]=4 55 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,1,0,0,0|0,0,1]=3 56 B9R1.89 CNC1CCCNCC1 Z1171155633 [1,0,1,0,0,0|1,0,1]=4 57 B9R1.89 CNC1CCCOCC1 Z5794487564 [1,0,1,0,0,0|1,0,1]=4 58 B9R1.89 CSC1CCCCNC1 Z1462950888 [1,0,1,0,0,0|2,0,0]=4 59 B9R2.68 C1CC2CNCC1C2 Z1359881938 [2,0,0,0,0,0|2,0,0]=4 60 B9R2.68 C1CC2CNCC1N2 Z1741980016 [2,0,0,0,0,0|1,0,0]=3 61 B9R2.68 C1CC2CNCC1O2 Z1198181219 [2,0,0,0,0,0|2,0,0]=4 62 B9R2.68 C1CC2COCC1N2 Z1203732330 [2,0,0,0,0,0|1,0,0]=3 63 B9R2.68 C1CC2CSCC1N2 Z3013893876 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.553 CC1CC(=O)CC(S1(=O)=O)C Z1255490616 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.167 CC(N)C1CN(CCN1C)C Z1245788127 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [0,1,1,0,0,0|1,0,0]=3 67 B11R1.228 COC(=O)CC1CCCC1=O Z1198182980 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.313 CN1C(=O)CCC1CC(=O)O Z1201625519 [0,1,1,0,0,0|1,0,1]=4 69 B11R2.63 CN1C2CCC1C(=O)NC2 Z1203735322 [1,1,0,0,0,0|1,0,1]=4 70 B11R2.120 CN1C2CCCC1C(=O)C2 Z5626300430 [1,1,0,0,0,0|0,0,2]=4 71 B11R2.120 CN1[C@H]2CCC[C@@H]1[C@H](C2)O Z5630804350 [1,1,0,0,0,0|0,0,1]=3 72 B11R2.232 CCN1C2CCC1CNC2 Z2867580639 [1,1,0,0,0,0|1,0,0]=3 73 B11R2.372 CC1(C2CCC1CNC2)O Z2733326890 [1,1,0,0,0,0|2,0,0]=4 74 B11R2.16 CCC1CC2CCC(C1)N2 Z2831445367 [1,1,0,0,0,0|1,0,1]=4 75 B11R2.16 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2 Z3013892974 [1,1,0,0,0,0|0,0,2]=4 76 B11R2.16 O=CC1CC2CCC(C1)O2 Z3035020250 [1,1,0,0,0,0|1,0,1]=4 77 B11R2.16 O=CN1CC2CCC(C2)C1 Z2608872382 [1,1,0,0,0,0|2,0,0]=4 78 B11R2.16 OC[C@@H]1C[C@@H]2CC[C@H](C1)N2 Z3235036994 [1,1,0,0,0,0|0,0,2]=4 79 B11R2.130 CC1C(=O)CC2CCC1N2 Z2694742906 [1,1,0,0,0,0|0,0,0]=2 80 B11R2.130 CC1C(CC2CCC1N2)O Z2738925514 [1,1,0,0,0,0|0,0,2]=4 81 B11R2.130 O[C@H]1[C@@H]2CC[C@@H](N2)C[C@H]1O Z4259736359 [1,1,0,0,0,0|0,0,2]=4 82 B11R2.526 CC1(CC2CCC(C1)N2)O Z1346385512 [1,1,0,0,0,0|0,0,2]=4 83 B11R2.526 O=S1(=O)CC2CCC(C1)N2 Z3301939284 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.10195 O=C1CC2CCC(S2(=O)=O)CN1 Z2255065532 [0,1,0,0,0,1|2,0,0]=4 85 B13R2.3890 CN1C2CCC1CC(C2)C(=O)O Z3032558000 [0,2,0,0,0,0|0,0,1]=3 86 B13R2.249 NCCN1C2CCC1CC(C2)O Z2418413873 [0,2,0,0,0,0|0,0,2]=4 87 B13R2.4986 CC(=O)N1C2CCC1CC(C2)C Z2582146681 [0,2,0,0,0,0|1,0,1]=4 88 B13R2.4986 CC(C)N1C2CCC1CC(C2)N Z5185597012 [0,2,0,0,0,0|1,0,1]=4 89 B13R2.4986 CC(C)N1C2CCC1CC(C2)O Z905065862 [0,2,0,0,0,0|0,0,2]=4 90 B9R0.39 CCC(CC(=O)O)C(C)C Z608350044 [0,0,2,0,0,0|2,0,0]=4 91 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,0,2,0,0,0|1,0,0]=3 92 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,0,2,0,0,0|2,0,0]=4 93 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,0,2,0,0,0|2,0,0]=4 94 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,0,2,0,0,0|2,0,0]=4 95 B11R2.814 O=C(O)C1CC2C1CCC2 Z1509040895 [0,0,1,1,0,0|2,0,0]=4 96 B11R2.932 O=C(O)CC1CCC2C1C2 Z1509040790 [0,0,1,1,0,0|2,0,0]=4 97 B11R2.199 CN1C2CCNCC1CC2 Z1251353633 [0,0,1,1,0,0|1,0,1]=4 98 B11R2.359 O=C1CC2CCC(C2)CN1 Z1203749577 [0,0,1,1,0,0|2,0,0]=4 99 B11R2.1037 C1CCN2CCNC(C1)C2 Z3268388583 [0,0,1,1,0,0|2,0,0]=4 100 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [0,0,1,0,1,0|2,0,0]=4 101 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,0,1,0,1,0|2,0,0]=4 102 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,0,1,0,1,0|1,0,0]=3 103 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,0,1,0,1,0|1,0,0]=3 104 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,0,1,0,1,0|2,0,0]=4 105 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,0,1,0,1,0|2,0,0]=4 106 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,0,1,0,1,0|2,0,0]=4 107 B9R2.8 CN1CC2CC(C1)N2 Z3013893659 [1,0,0,0,1,0|2,0,0]=4 108 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [1,0,0,0,1,0|1,0,1]=4 109 B9R2.33 O=C1NC2CCC2O1 Z1203735217 [1,0,0,0,1,0|2,0,0]=4 110 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [1,0,0,0,1,0|2,0,0]=4 111 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,0,1,0,0,1|2,0,0]=4 112 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,0,1,0,0,1|2,0,0]=4 113 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,0,1,0,0,1|2,0,0]=4 114 B11R1.86 CN1CC=CCC1CC(=O)O Z3506426322 [0,0,1,0,0,1|1,0,1]=4 115 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,0,1,0,0,1|1,0,0]=3 116 B11R1.90 CN1CCCC1CCC(=N)N Z4523599584 [0,0,1,0,0,1|2,0,0]=4 117 B11R1.90 CN1CCCC1CCC(=O)O Z2517419474 [0,0,1,0,0,1|1,0,0]=3 118 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,1,0,0,1|2,0,0]=4 119 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,1,0,0,1|2,0,0]=4 120 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,0,1,0,0,1|1,0,0]=3 121 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,0,1,0,0,1|2,0,0]=4 122 B11R2.565 CN1C2CCCC1CNC2 Z4261454820 [1,0,0,0,0,1|0,0,1]=3 123 B11R2.678 C=C1CC2CCCC(C1)N2 Z3768198553 [1,0,0,0,0,1|1,0,0]=3 124 B11R2.678 CC1=CC2CCCC(C1)N2 Z3835770186 [1,0,0,0,0,1|1,0,1]=4 125 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [1,0,0,0,0,1|1,0,0]=3 126 B11R2.678 O=C1CC2CCCC(C1)N2 Z1262564614 [1,0,0,0,0,1|0,0,0]=2 127 B11R2.678 O=C1CC2CSCC(C1)N2 Z3244520874 [1,0,0,0,0,1|0,0,0]=2 128 B11R2.678 OC1CC2CCCC(C1)N2 Z1262607401 [1,0,0,0,0,1|0,0,2]=4