0 B9R1.8 CNCC1CCCCC1 SPC-v381 [0,0,0,1,0,0|2,0,0]=3 1 B9R1.8 CNCC1CCOCC1 SPC-j065 [0,0,0,1,0,0|3,0,0]=4 2 B9R1.8 CNC[C@@H]1COCCO1 SPC-v495 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.8 CNC[C@H]1CCCOC1 SPC-q182 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.8 CNC[C@H]1COCCO1 SPC-v192 [0,0,0,1,0,0|2,0,0]=3 5 B9R1.8 COCC1CCNCC1 SPC-h312 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.8 ClCCN1CCCCC1 SPC-r409 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.8 NCCN1CCCCC1 SPC-g106 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.8 OCCC1CCNCC1 SPC-u123 [0,0,0,1,0,0|1,0,0]=2 9 B9R1.8 OCCC1CCOCC1 SPC-h171 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.8 OCC[C@@H]1CCCCN1 SPC-s721 [0,0,0,1,0,0|1,0,0]=2 11 B9R1.12 COCC[C@H]1CCCN1 SPC-s798 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.12 ClCCCN1CCCC1 SPC-s727 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.12 NCCCC1CCCC1 SPC-u103 [0,0,0,1,0,0|1,0,0]=2 14 B9R1.14 CCN1CCC[C@@H]1CN SPC-g176 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.14 CC[C@H]1CNC[C@@H]1CO SPC-v487 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.15 CO[C@@H]1COCC[C@H]1N SPC-i205 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.15 CO[C@@H]1COCC[C@H]1N SPC-s068 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.15 CO[C@H]1CCNC[C@@H]1O SPC-m367 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.15 CO[C@H]1CCNC[C@@H]1O SPC-r070 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.15 CO[C@H]1COCC[C@@H]1N SPC-i729 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.15 CO[C@H]1COCC[C@H]1N SPC-j729 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.15 NC[C@@H]1CCNC[C@@H]1O SPC-p952 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.15 NC[C@@H]1CCNC[C@H]1O SPC-q481 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.15 OC[C@@H]1CCNC[C@@H]1O SPC-t148 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.15 OC[C@H]1CCNC[C@@H]1O SPC-t376 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.15 OC[C@H]1CCNC[C@H]1F SPC-k013 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.33 CN1CCC[C@@H]1CCN SPC-u566 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.33 CNC[C@H]1CCCN1C SPC-q181 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.89 CO[C@H]1CCCNCC1 SPC-h967 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.89 CO[C@H]1CCCNCC1 SPC-j078 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.89 N#C[C@H]1CCCNCC1 SPC-n307 [0,0,0,1,0,0|2,0,1]=4 32 B6R0.6 ICCCCCI SPC-m904 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 BrCC1CCNCC1 SPC-j960 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.2 BrCC1CCOCC1 SPC-g566 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.2 BrC[C@H]1CCCOC1 SPC-h690 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.2 CNC1CCNCC1 SPC-q226 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.2 CNC1CCOCC1 SPC-j064 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.2 COC1CCNCC1 SPC-g777 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.2 COC1CCNCC1 SPC-n150 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.2 CO[C@@H]1CCCNC1 SPC-r030 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.2 CO[C@H]1CCCNC1 SPC-h111 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.2 CO[C@H]1CCCNC1 SPC-j189 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.2 CSC1CCNCC1 SPC-g968 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 ClCC1CCNCC1 SPC-s961 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 FCC1CCNCC1 SPC-n102 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.2 ICC1CCOCC1 SPC-g906 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 NCC1CCOCC1 SPC-g253 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.2 NCC1CCSCC1 SPC-j796 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.2 NCC1CCSCC1 SPC-t703 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.2 NC[C@@H]1CCCOC1 SPC-n840 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.2 NC[C@@H]1COCCO1 SPC-m446 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 NC[C@H]1CCCOC1 SPC-n838 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 NC[C@H]1CCCOC1 SPC-r352 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.2 NC[C@H]1COCCO1 SPC-i566 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 OCC1CCNCC1 SPC-g261 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.2 OCC1CCOCC1 SPC-g300 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.2 OC[C@@H]1CCCCO1 SPC-v087 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.2 OC[C@@H]1CCCNC1 SPC-v455 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.2 OC[C@@H]1CCCOC1 SPC-v644 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.2 OC[C@@H]1CNCCO1 SPC-q930 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.2 OC[C@@H]1COCCO1 SPC-u546 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.2 OC[C@H]1CCCCO1 SPC-s718 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.2 OC[C@H]1CCCCO1 SPC-v058 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.2 OC[C@H]1CCCOC1 SPC-h333 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.2 OC[C@H]1CCCOC1 SPC-u991 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.2 OC[C@H]1CNCCO1 SPC-q931 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.2 OC[C@H]1COCCN1 SPC-n823 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.5 CC1CCNCC1O SPC-p589 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.5 CC1CNCCC1O SPC-m644 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.5 C[C@@H]1CCCN[C@@H]1C SPC-u259 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.5 C[C@@H]1CCNC[C@H]1O SPC-q479 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.5 C[C@@H]1CNCCN1C SPC-j879 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.5 C[C@@H]1CNCCN1C SPC-r024 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.5 C[C@H]1CCNC[C@H]1O SPC-p949 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.5 C[C@H]1CNCCN1C SPC-k695 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.5 C[C@H]1CNCCN1C SPC-m797 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.5 N[C@@H]1CCCC[C@H]1F SPC-v023 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.5 N[C@@H]1CCCC[C@H]1N SPC-k252 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.5 N[C@@H]1CCOC[C@@H]1O SPC-i900 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m006 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m655 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.5 N[C@@H]1COCC[C@@H]1O SPC-p945 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-h523 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-t948 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.5 N[C@H]1CCOC[C@@H]1O SPC-m654 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.5 N[C@H]1CCOC[C@H]1O SPC-n772 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.5 N[C@H]1COCC[C@@H]1O SPC-h590 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.5 OC1CCOCC1F SPC-n060 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-q472 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-r059 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.5 O[C@@H]1CCOC[C@@H]1F SPC-s067 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.5 O[C@H]1CCNC[C@@H]1F SPC-m667 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.5 O[C@H]1CCNC[C@H]1F SPC-s060 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.5 O[C@H]1CCOC[C@@H]1F SPC-u964 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-r349 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-s059 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.5 O[C@H]1CNCC[C@@H]1F SPC-q484 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.5 O[C@H]1CNCC[C@H]1O SPC-j905 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.8 CCN[C@H]1CCOC1 SPC-n465 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.8 CCO[C@@H]1CCNC1 SPC-u486 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.8 CCO[C@H]1CCNC1 SPC-n761 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.8 CNC[C@@H]1CCCN1 SPC-u242 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.8 CNC[C@H]1CCCN1 SPC-u243 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.8 CNC[C@H]1CCOC1 SPC-q183 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.8 COC[C@@H]1CCCN1 SPC-t889 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.8 COC[C@@H]1CCNC1 SPC-m151 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.8 COC[C@H]1CCNC1 SPC-m152 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.8 COC[C@H]1CCNC1 SPC-n031 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.8 COC[C@H]1CCNC1 SPC-p279 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.8 NNCC1CCCC1 SPC-v623 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.8 OCC[C@H]1CCCN1 SPC-u092 [1,0,0,1,0,0|1,0,0]=3 113 B8R1.8 OCC[C@H]1CCNC1 SPC-m119 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.10 OCCCC1CNC1 SPC-a313 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.11 CN1CCC[C@@H]1CN SPC-m569 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.11 CN1CCC[C@H]1CN SPC-h913 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.11 CO[C@@H]1CNC[C@@H]1O SPC-u001 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.11 CO[C@@H]1CNC[C@H]1O SPC-i670 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.11 C[C@H]1CNC[C@@H]1CO SPC-u640 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.22 C[C@H]1CCNCCN1 SPC-n217 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.22 F[C@H]1CCCNCC1 SPC-p568 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.22 OC1CNCCNC1 SPC-v334 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.36 NCCNCC1CC1 SPC-u836 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.10 CN1CCC[C@H](CCN)C1 SPC-j333 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.10 CN1CCC[C@H](CCO)C1 SPC-p067 [0,1,0,1,0,0|1,0,0]=3 126 B10R1.18 O=C(O)CC1CCNCC1 SPC-k739 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.18 O=C(O)CC1CCOCC1 SPC-g717 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.18 O=C(O)C[C@H]1CCCNC1 SPC-j408 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.38 OC[C@H]1CCNCC1(F)F SPC-n729 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.61 CC(=O)C1CCCCC1F SPC-u650 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.86 CCCN1CC[C@H]1C(=O)O SPC-p135 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.348 O=C(O)[C@H]1CCCNCC1 SPC-j201 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.21 COCCO[C@@H]1CCNC1 SPC-m492 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.21 COCCO[C@H]1CCNC1 SPC-m493 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.135 CCOC(=O)C1CC1CO SPC-n385 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.245 CC1CCCC(C)C1CO SPC-v554 [0,1,0,1,0,0|0,0,0]=2 137 B10R1.377 OCCC1(O)CCNCC1 SPC-o020 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.377 OCC[C@]1(O)CCCNC1 SPC-o019 [0,1,0,1,0,0|1,0,0]=3 139 B10R1.17 COCCC1CCNCC1 SPC-i542 [0,1,0,1,0,0|1,0,0]=3 140 B10R1.17 COCCC1CCNCC1 SPC-k930 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.17 ClCCCN1CCOCC1 SPC-g807 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.17 OCCCC1CCNCC1 SPC-t658 [0,1,0,1,0,0|0,0,0]=2 143 B10R1.17 OCCCN1CCOCC1 SPC-v734 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.20 CN[C@@H]1CCCC[C@H]1NC SPC-k295 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.1 CN1CCC(CCN)CC1 SPC-t937 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.1 CN1CCC(CCO)CC1 SPC-j221 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.15 C[C@@H](CO)N1CCNCC1 SPC-j904 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.149 CC(CN)C1CCCN1C SPC-p068 [0,1,0,1,0,0|2,0,0]=4 149 B10R2.160 OCC1C2CNCC1C2 SPC-n870 [0,0,0,2,0,0|1,0,0]=3 150 B10R2.160 OCC1C2CNCC1C2 SPC-v460 [0,0,0,2,0,0|1,0,0]=3 151 B10R2.178 OC1CCC2CCC1N2 SPC-p867 [0,0,0,2,0,0|1,0,0]=3 152 B10R2.7 C1C[C@H]2CNCCN2C1 SPC-m196 [0,0,0,2,0,0|2,0,0]=4 153 B10R2.62 CN1CC2CCC1CN2 SPC-s245 [0,0,0,2,0,0|2,0,0]=4 154 B10R2.62 N[C@H]1CN2CCC1CC2 SPC-k149 [0,0,0,2,0,0|2,0,0]=4 155 B10R2.62 OC1CC2CCC1NC2 SPC-j839 [0,0,0,2,0,0|1,0,0]=3 156 B10R2.62 O[C@H]1CN2CCC1CC2 SPC-s678 [0,0,0,2,0,0|1,0,0]=3 157 B10R2.408 C1CC2CCCC(C1)N2 SPC-m011 [0,0,0,2,0,0|1,0,0]=3 158 B10R2.408 C1CC2COCC(C1)N2 SPC-n079 [0,0,0,2,0,0|2,0,0]=4 159 B10R2.409 C1CC2CCC1CNC2 SPC-u877 [0,0,0,2,0,0|2,0,0]=4 160 B10R2.484 C1CC2(C1)CCNCC2 SPC-b078 [0,0,0,2,0,0|2,0,0]=4 161 B10R2.484 C1CC2(C1)CNCCN2 SPC-e036 [0,0,0,2,0,0|2,0,0]=4 162 B10R2.484 C1CC2(C1)COCCN2 SPC-b100 [0,0,0,2,0,0|2,0,0]=4 163 B10R2.484 C1CC2(C1)CSCCN2 SPC-b696 [0,0,0,2,0,0|2,0,0]=4 164 B10R2.484 C1CC2(CCN1)CCO2 SPC-b006a [0,0,0,2,0,0|1,0,0]=3 165 B10R2.484 C1CC2(CCN1)CCO2 SPC-b006b [0,0,0,2,0,0|1,0,0]=3 166 B10R2.484 C1CC2(CCOCC2)N1 SPC-b262 [0,0,0,2,0,0|2,0,0]=4 167 B10R2.484 C1CCC2(CC1)CCN2 SPC-b261 [0,0,0,2,0,0|1,0,0]=3 168 B10R2.484 C1CCC2(CC1)CNC2 SPC-b174 [0,0,0,2,0,0|2,0,0]=4 169 B10R2.484 C1CCC2(CCC2)NC1 SPC-b081 [0,0,0,2,0,0|1,0,0]=3 170 B10R2.484 C1CCC2(CCC2)NC1 SPC-i739 [0,0,0,2,0,0|1,0,0]=3 171 B10R2.484 C1CCC2(CNC2)OC1 SPC-b098 [0,0,0,2,0,0|1,0,0]=3 172 B10R2.484 C1CNCC2(C1)CCC2 SPC-b080 [0,0,0,2,0,0|2,0,0]=4 173 B10R2.484 C1COC[C@@]2(C1)CCN2 SPC-i805 [0,0,0,2,0,0|2,0,0]=4 174 B10R2.3 O=C1CCC12CCCC2 SPC-b340 [0,0,0,2,0,0|0,0,2]=4 175 B10R2.99 CCN1CC2CC1CN2 SPC-p222 [0,0,0,2,0,0|2,0,0]=4 176 B10R2.99 CCN1C[C@@H]2C[C@H]1CN2 SPC-h702 [0,0,0,2,0,0|2,0,0]=4 177 B10R2.99 CCN1C[C@H]2C[C@@H]1CN2 SPC-n663 [0,0,0,2,0,0|2,0,0]=4 178 B10R2.483 C1CN[C@]2(C1)CCNC2 SPC-u113 [0,0,0,2,0,0|2,0,0]=4 179 B10R2.483 C1CO[C@]2(C1)CCNC2 SPC-i201 [0,0,0,2,0,0|1,0,0]=3 180 B10R2.483 C1CO[C@]2(C1)CCNC2 SPC-t956 [0,0,0,2,0,0|1,0,0]=3 181 B10R2.15 O[C@H]1CNCCC12CC2 SPC-i129 [0,0,0,2,0,0|1,0,0]=3 182 B10R2.41 FC1C2CCC1CNC2 SPC-u181 [0,0,0,2,0,0|2,0,0]=4 183 B10R2.41 OC1C2CCC1CNC2 SPC-n040 [0,0,0,2,0,0|1,0,0]=3 184 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 SPC-w106 [0,0,0,2,0,0|1,0,0]=3 185 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 SPC-w116 [0,0,0,2,0,0|1,0,0]=3 186 B10R2.190 O=C1CCCC12CCC2 SPC-b339 [0,0,0,2,0,0|0,0,2]=4 187 B10R2.60 NC1CC2CC1CC2O SPC-k571 [0,0,0,2,0,0|1,0,0]=3