0 B6R0.6 ICCCCCI SPC-m904 [1,0,0,0,0,0|2,0,0]=3 1 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,0,0,1,0,0|1,0,2]=4 2 B8R1.2 BrCC1CCNCC1 SPC-j960 [0,0,0,1,0,0|2,0,0]=3 3 B8R1.2 BrCC1CCOCC1 SPC-g566 [0,0,0,1,0,0|2,0,0]=3 4 B8R1.2 BrC[C@H]1CCCOC1 SPC-h690 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.2 C#CC1CCNCC1 SPC-i535 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.2 C#CC1CCOCC1 SPC-h622 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.2 C#CC1CCSCC1 SPC-t009 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.2 C#C[C@H]1CCCNC1 SPC-p374 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.2 CNC1CCNCC1 SPC-q226 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 CNC1CCOCC1 SPC-j064 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 COC1CCNCC1 SPC-g777 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.2 COC1CCNCC1 SPC-n150 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.2 CO[C@@H]1CCCNC1 SPC-r030 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 CO[C@H]1CCCNC1 SPC-h111 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 CO[C@H]1CCCNC1 SPC-j189 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 CSC1CCNCC1 SPC-g968 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 ClCC1CCNCC1 SPC-s961 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.2 FCC1CCNCC1 SPC-n102 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 ICC1CCOCC1 SPC-g906 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 N#CC1CCNCC1 SPC-j199 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 N#CC1CCOCC1 SPC-g531 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 N#CC1CCSCC1 SPC-n629 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 N#C[C@@H]1CCCCN1 SPC-p920 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.2 N#C[C@@H]1CCCCN1 SPC-s671 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 N#C[C@@H]1CCCNC1 SPC-m702 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 N#C[C@H]1CCCCN1 SPC-s657 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 N#C[C@H]1CCCNC1 SPC-h106 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 N#C[C@H]1CCCNC1 SPC-q605 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 NCC1CCOCC1 SPC-g253 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.2 NCC1CCSCC1 SPC-j796 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 NCC1CCSCC1 SPC-t703 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.2 NC[C@@H]1CCCOC1 SPC-n840 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.2 NC[C@@H]1COCCO1 SPC-m446 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.2 NC[C@H]1CCCOC1 SPC-n838 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.2 NC[C@H]1CCCOC1 SPC-r352 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.2 NC[C@H]1COCCO1 SPC-i566 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.2 NNC1CCOCC1 SPC-m554 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 NN[C@H]1CCCOC1 SPC-t975 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.2 OCC1CCNCC1 SPC-g261 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.2 OCC1CCOCC1 SPC-g300 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.2 OC[C@@H]1CCCCO1 SPC-v087 [0,0,0,1,0,0|1,0,0]=2 42 B8R1.2 OC[C@@H]1CCCNC1 SPC-v455 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.2 OC[C@@H]1CCCOC1 SPC-v644 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.2 OC[C@@H]1CNCCO1 SPC-q930 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.2 OC[C@@H]1COCCO1 SPC-u546 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.2 OC[C@H]1CCCCO1 SPC-s718 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.2 OC[C@H]1CCCCO1 SPC-v058 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.2 OC[C@H]1CCCOC1 SPC-h333 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.2 OC[C@H]1CCCOC1 SPC-u991 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.2 OC[C@H]1CNCCO1 SPC-q931 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.2 OC[C@H]1COCCN1 SPC-n823 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.5 CC1CCNCC1O SPC-p589 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.5 CC1CNCCC1O SPC-m644 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.5 C[C@@H]1CCCN[C@@H]1C SPC-u259 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.5 C[C@@H]1CCNC[C@H]1O SPC-q479 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.5 C[C@@H]1CNCCN1C SPC-j879 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.5 C[C@@H]1CNCCN1C SPC-r024 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.5 C[C@H]1CCNC[C@H]1O SPC-p949 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.5 C[C@H]1CNCCN1C SPC-k695 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.5 C[C@H]1CNCCN1C SPC-m797 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.5 F[C@H]1CCNC[C@H]1F SPC-t847 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.5 N[C@@H]1CCCC[C@H]1F SPC-v023 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.5 N[C@@H]1CCCC[C@H]1N SPC-k252 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [0,0,0,1,0,0|1,0,0]=2 67 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-h024 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-s058 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.5 N[C@@H]1CCOC[C@@H]1O SPC-i900 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-m647 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-u621 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m006 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m655 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.5 N[C@@H]1COCC[C@@H]1O SPC-p945 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-h523 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-t948 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-k063 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-q529 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.5 N[C@H]1CCOC[C@@H]1O SPC-m654 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.5 N[C@H]1CCOC[C@H]1O SPC-n772 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.5 N[C@H]1COCC[C@@H]1O SPC-h590 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.5 OC1CCOCC1F SPC-n060 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-q472 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-r059 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.5 O[C@@H]1CCOC[C@@H]1F SPC-s067 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.5 O[C@H]1CCNC[C@@H]1F SPC-m667 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.5 O[C@H]1CCNC[C@H]1F SPC-s060 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.5 O[C@H]1CCOC[C@@H]1F SPC-u964 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-r349 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-s059 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.5 O[C@H]1CNCC[C@@H]1F SPC-q484 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.5 O[C@H]1CNCC[C@H]1O SPC-j905 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.8 CCN[C@H]1CCOC1 SPC-n465 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.8 CCO[C@@H]1CCNC1 SPC-u486 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.8 CCO[C@H]1CCNC1 SPC-n761 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.8 CNC[C@@H]1CCCN1 SPC-u242 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.8 CNC[C@H]1CCCN1 SPC-u243 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.8 CNC[C@H]1CCOC1 SPC-q183 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.8 COC[C@@H]1CCCN1 SPC-t889 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.8 COC[C@@H]1CCNC1 SPC-m151 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.8 COC[C@H]1CCNC1 SPC-m152 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.8 COC[C@H]1CCNC1 SPC-n031 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.8 COC[C@H]1CCNC1 SPC-p279 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.8 NNCC1CCCC1 SPC-v623 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.8 OCC[C@H]1CCCN1 SPC-u092 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.8 OCC[C@H]1CCNC1 SPC-m119 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.10 NCCNC1COC1 SPC-a297 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.10 OCCCC1CNC1 SPC-a313 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.11 CN1CCC[C@@H]1CN SPC-m569 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.11 CN1CCC[C@H]1CN SPC-h913 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.11 CO[C@@H]1CNC[C@@H]1O SPC-u001 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.11 CO[C@@H]1CNC[C@H]1O SPC-i670 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.11 C[C@H]1CNC[C@@H]1CO SPC-u640 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.22 C[C@H]1CCNCCN1 SPC-n217 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.22 F[C@H]1CCCNCC1 SPC-p568 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.22 OC1CNCCNC1 SPC-v334 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.36 NCCNCC1CC1 SPC-u836 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.1 BrCC1CCCC1 SPC-s715 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.1 BrC[C@H]1CCCO1 SPC-g076 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 FC[C@@H]1CCCN1 SPC-h660 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 FC[C@@H]1CCNC1 SPC-v090 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 FC[C@H]1CCCN1 SPC-j761 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 NCC1CCCC1 SPC-k191 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.1 NCC1CCCC1 SPC-t893 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.1 NC[C@@H]1CCCN1 SPC-k181 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 OCC1CC=CC1 SPC-m309 [1,0,0,1,0,0|0,0,2]=4 143 B7R1.1 OCC1OCCO1 SPC-s002 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.3 BrC1CCOCC1 SPC-g434 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [1,0,0,1,0,0|1,0,0]=3 157 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [1,0,0,1,0,0|1,0,0]=3 159 B7R1.3 C[C@H]1COCCN1 SPC-m696 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 FC1CCNCC1 SPC-g555 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 IC1CCOCC1 SPC-g782 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.3 NC1CCOCC1 SPC-g166 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.3 NC1CCSCC1 SPC-a111 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.3 OC1CCOCC1 SPC-g695 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [1,0,0,1,0,0|1,0,0]=3 171 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.3 SC1CCNCC1 SPC-m332 [1,0,0,1,0,0|1,1,0]=4 178 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [1,0,0,1,0,0|1,1,0]=4 179 B7R1.4 CC1CNCC1C SPC-t668 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.4 N[C@@H]1CCC[C@H]1F SPC-t364 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.4 N[C@@H]1CCC[C@H]1N SPC-q798 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [1,0,0,1,0,0|1,0,0]=3 188 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.4 N[C@H]1CCC[C@H]1N SPC-s473 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.4 O[C@@H]1CNC[C@@H]1F SPC-v112 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.4 O[C@@H]1CNC[C@H]1F SPC-r283 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.4 O[C@@H]1CNC[C@H]1O SPC-m311 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.4 O[C@H]1CNC[C@@H]1F SPC-n773 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-m146 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-s074 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.4 O[C@H]1CNC[C@H]1F SPC-p954 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.4 O[C@H]1CNC[C@H]1O SPC-i555 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.6 CCNC1COC1 SPC-a295 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.6 CCOC1CNC1 SPC-u336 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.6 CNCC1COC1 SPC-a301 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.6 COCC1CNC1 SPC-h904 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.6 COCC1CNC1 SPC-h928 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.6 COC[C@@H]1CCN1 SPC-i094 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.6 COC[C@@H]1CCN1 SPC-n711 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.6 COC[C@H]1CCN1 SPC-h990 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.6 COC[C@H]1CCN1 SPC-i646 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.6 NCCC1CCC1 SPC-p217 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.6 NCCC1COC1 SPC-t456 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.6 NCCN1CCC1 SPC-k453 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.6 NCC[C@H]1CCO1 SPC-s809 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.6 NNCC1CCC1 SPC-n354 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.6 OCCC1CNC1 SPC-a312 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.6 OCCC1CNC1 SPC-q679 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.6 OCCC1COC1 SPC-a030 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.7 OCC#CC1CC1 SPC-q818 [1,0,0,1,0,0|0,0,2]=4 223 B7R1.8 CN1CC[C@@H]1CN SPC-n649 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.8 CN1CC[C@@H]1CN SPC-n832 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.8 CN1CC[C@@H]1CO SPC-v650 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.8 CN1CC[C@H]1CN SPC-n833 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.2 CN1CCC[C@@H](CN)C1 SPC-j218 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.2 CN1CCC[C@@H](CO)C1 SPC-m829 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.2 CN1CCC[C@H](CN)C1 SPC-h866 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.2 CN1CCC[C@H](CN)C1 SPC-j219 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.2 CN1CCC[C@H](CO)C1 SPC-r041 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.2 CN1CCN[C@@H](CO)C1 SPC-v215 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.2 COC1CCCC(O)C1 SPC-q771 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 SPC-v039 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.2 O=C1C[C@@H](CO)CCN1 SPC-j635 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.7 CN1CC[C@H](CCN)C1 SPC-p069 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.7 CN1CC[C@H](CCO)C1 SPC-j220 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.8 CNCC1CCCCC1 SPC-v381 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.8 CNCC1CCOCC1 SPC-j065 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.8 CNC[C@@H]1COCCO1 SPC-v495 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.8 CNC[C@H]1CCCOC1 SPC-q182 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.8 CNC[C@H]1COCCO1 SPC-v192 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.8 COCC1CCNCC1 SPC-h312 [0,1,0,1,0,0|1,0,0]=3 245 B9R1.8 ClCCN1CCCCC1 SPC-r409 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.8 NCCN1CCCCC1 SPC-g106 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.8 OCCC1CCNCC1 SPC-u123 [0,1,0,1,0,0|0,0,0]=2 248 B9R1.8 OCCC1CCOCC1 SPC-h171 [0,1,0,1,0,0|0,0,0]=2 249 B9R1.8 OCC[C@@H]1CCCCN1 SPC-s721 [0,1,0,1,0,0|0,0,0]=2 250 B9R1.12 COCC[C@H]1CCCN1 SPC-s798 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.12 ClCCCN1CCCC1 SPC-s727 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.12 NCCCC1CCCC1 SPC-u103 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.15 CO[C@@H]1COCC[C@H]1N SPC-i205 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.15 CO[C@@H]1COCC[C@H]1N SPC-s068 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.15 CO[C@H]1CCNC[C@@H]1O SPC-m367 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.15 CO[C@H]1CCNC[C@@H]1O SPC-r070 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.15 CO[C@H]1COCC[C@@H]1N SPC-i729 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.15 CO[C@H]1COCC[C@H]1N SPC-j729 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.15 NC[C@@H]1CCNC[C@@H]1O SPC-p952 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.15 NC[C@@H]1CCNC[C@H]1O SPC-q481 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.15 OC[C@@H]1CCNC[C@@H]1O SPC-t148 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.15 OC[C@H]1CCNC[C@@H]1O SPC-t376 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.15 OC[C@H]1CCNC[C@H]1F SPC-k013 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.33 CN1CCC[C@@H]1CCN SPC-u566 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.33 CNC[C@H]1CCCN1C SPC-q181 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.49 CN1CCC[C@H](N)CC1 SPC-j079 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.73 CCOC(=O)[C@@H]1CCO1 SPC-m749 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.117 CCCCC1(O)COC1 SPC-w031 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.117 NC1(CCCO)COC1 SPC-a074 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.117 NCCCC1(O)COC1 SPC-a098 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.117 OCCCC1(O)CCC1 SPC-s728 [0,1,0,1,0,0|0,0,0]=2 272 B9R1.134 OCC[C@]1(O)CCNC1 SPC-o018 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.14 CCN1CCC[C@@H]1CN SPC-g176 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.14 CC[C@H]1CNC[C@@H]1CO SPC-v487 [0,1,0,1,0,0|0,0,0]=2 275 B9R1.14 CO[C@H]1CNC[C@H]1OC SPC-n346 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.89 CO[C@H]1CCCNCC1 SPC-h967 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.89 CO[C@H]1CCCNCC1 SPC-j078 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.89 N#C[C@H]1CCCNCC1 SPC-n307 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 SPC-u925 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.1 CC1CCC(CO)CN1 SPC-n810 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.1 CCN1CCC(O)CC1 SPC-q210 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.1 CN1CCC(CN)CC1 SPC-j217 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.1 CN1CCC(CO)CC1 SPC-g352 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 SPC-m222 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.1 CN[C@H]1CC[C@H](O)CC1 SPC-m223 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.1 CO[C@H]1CC[C@H](N)CC1 SPC-t444 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 SPC-p950 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.1 NC[C@H]1CC[C@H](O)CC1 SPC-j864 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.118 CC1(CN)CCOCC1 SPC-h577 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.118 CC1(CO)CCNCC1 SPC-n785 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.118 CCC1(N)CCOCC1 SPC-p229 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.118 CCC1(O)CCNCC1 SPC-k144 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.118 C[C@]1(CO)CCCNC1 SPC-k841 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.118 FC1(CBr)CCOCC1 SPC-v206 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.118 NC1(CO)CCOCC1 SPC-m016 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.118 NC1(CO)CCOCC1 SPC-m017 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.118 NCC1(F)CCOCC1 SPC-m019 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.118 NCC1(O)CCOCC1 SPC-h886 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.118 OC1(CF)CCNCC1 SPC-k866 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.118 OCC1(F)CCNCC1 SPC-j549 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.118 OCC1(F)CCOCC1 SPC-m018 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.118 OCC1(O)CCNCC1 SPC-j551 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.6 CC(=O)C1CCCCC1 SPC-g619 [0,1,0,1,0,0|0,0,2]=4 304 B9R1.6 CC(C)[C@@H]1CSCCN1 SPC-f066 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.6 FC(F)C1CCNCC1 SPC-k867 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.6 O=C(O)C1CCNCC1 SPC-h780 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.6 O=C(O)C1CCSCC1 SPC-a119 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.6 O=C(O)[C@@H]1CCCCO1 SPC-n720 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.6 O=C(O)[C@@H]1CCCCO1 SPC-q233 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.6 O=C(O)[C@H]1CCCCO1 SPC-q612 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.6 O=C(O)[C@H]1CCCNC1 SPC-r406 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.6 O=C(O)[C@H]1CCCOC1 SPC-g817 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.6 O=C(O)[C@H]1CCCSC1 SPC-j750 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.13 CN(C)C[C@@H]1CCCN1 SPC-t161 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.13 CN(C)C[C@H]1CCCN1 SPC-k879 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.13 O=C(O)CC1CCCC1 SPC-k446 [0,1,0,1,0,0|0,0,1]=3 317 B9R1.13 O=C(O)C[C@@H]1CCNC1 SPC-s817 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.13 O=C(O)C[C@H]1CCNC1 SPC-j407 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.13 O=C(O)C[C@H]1CCOC1 SPC-v310 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.40 CC1(C)CNCC[C@@H]1O SPC-m185 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.40 C[C@H]1CCNCC1(F)F SPC-r051 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.40 N[C@@H]1CCCCC1(F)F SPC-n651 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.40 N[C@H]1CCCCC1(F)F SPC-n671 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.40 OC1(O)CCOC[C@@H]1F SPC-m635 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.40 O[C@H]1CCNCC1(F)F SPC-m073 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.40 O[C@H]1CCNCC1(F)F SPC-t904 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.41 CN1CCC[C@@H]1C(=O)O SPC-m779 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.41 CN1CCC[C@H]1C(=O)O SPC-h222 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.96 CCC1CN[C@@H]1C(=O)O SPC-p137 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.96 CCN1CC[C@H]1C(=O)O SPC-p134 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.148 C[C@]1(O)CCCNCC1 SPC-h817 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.148 FC1(F)CCCNCC1 SPC-j077 [0,1,0,1,0,0|2,0,0]=4 333 B9R2.49 C1CC2CCC1CN2 SPC-m957 [0,0,0,2,0,0|1,0,0]=3 334 B9R2.53 OC1C2CNCC1C2 SPC-i414 [0,0,0,2,0,0|1,0,0]=3 335 B9R2.56 OCC12CNCC1C2 SPC-p326 [0,0,0,2,0,0|1,0,0]=3 336 B9R2.56 OCC12CNCC1C2 SPC-s909 [0,0,0,2,0,0|1,0,0]=3 337 B9R2.68 C1CC2CCC(C1)N2 SPC-n293 [0,0,0,2,0,0|1,0,0]=3 338 B9R2.68 C1CC2CNCC1O2 SPC-h160 [0,0,0,2,0,0|1,0,0]=3 339 B9R2.68 C1CC2COCC1N2 SPC-h221 [0,0,0,2,0,0|2,0,0]=4 340 B9R2.68 C1CC2CSCC1N2 SPC-s950 [0,0,0,2,0,0|2,0,0]=4 341 B9R2.68 C1CN2CCC(C2)N1 SPC-m216 [0,0,0,2,0,0|2,0,0]=4 342 B9R2.123 NC1C2CCCCC12 SPC-v263 [0,0,0,2,0,0|1,0,0]=3 343 B9R2.174 C1CC2(CCN1)CC2 SPC-b077a [0,0,0,2,0,0|2,0,0]=4 344 B9R2.174 C1CCC2(CC2)NC1 SPC-b083 [0,0,0,2,0,0|1,0,0]=3 345 B9R2.174 C1CNC2(CC2)CN1 SPC-i636 [0,0,0,2,0,0|2,0,0]=4 346 B9R2.174 C1CNCC2(C1)CC2 SPC-b079 [0,0,0,2,0,0|2,0,0]=4 347 B9R2.174 C1CNCC2(C1)CC2 SPC-u523 [0,0,0,2,0,0|2,0,0]=4 348 B9R2.174 C1COC2(CC2)CN1 SPC-u345 [0,0,0,2,0,0|1,0,0]=3 349 B9R2.6 CC12CCNCC1C2 SPC-t857 [0,0,0,2,0,0|2,0,0]=4 350 B9R2.6 NC12CCCCC1C2 SPC-u593 [0,0,0,2,0,0|1,0,0]=3 351 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 SPC-h809 [0,0,0,2,0,0|2,0,0]=4 352 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 SPC-k773 [0,0,0,2,0,0|2,0,0]=4 353 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 SPC-q712 [0,0,0,2,0,0|2,0,0]=4 354 B9R2.39 OC1CC2CC1CN2 SPC-j874 [0,0,0,2,0,0|1,0,0]=3 355 B9R2.39 OC1CC2CNC1C2 SPC-m956 [0,0,0,2,0,0|1,0,0]=3 356 B9R2.109 O=C1CCCC2CC12 SPC-p917 [0,0,0,2,0,0|0,0,2]=4 357 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 SPC-w303 [0,0,0,2,0,0|1,0,0]=3 358 B9R2.3 C1NCC2CNCC12 SPC-q230 [0,0,0,2,0,0|2,0,0]=4 359 B9R2.3 C1NC[C@@H]2COC[C@H]12 SPC-s474 [0,0,0,2,0,0|1,0,0]=3 360 B9R2.3 C1NC[C@@H]2COC[C@H]12 SPC-v165 [0,0,0,2,0,0|1,0,0]=3 361 B9R2.3 C1NC[C@@H]2CSC[C@H]12 SPC-s475 [0,0,0,2,0,0|1,1,0]=4 362 B9R2.173 C1CC2(C1)CCNC2 SPC-b076 [0,0,0,2,0,0|2,0,0]=4 363 B9R2.173 C1CCC2(C1)CCN2 SPC-b260 [0,0,0,2,0,0|1,0,0]=3 364 B9R2.173 C1CCC2(C1)CCN2 SPC-b260 [0,0,0,2,0,0|1,0,0]=3 365 B9R2.173 C1CCC2(C1)CNC2 SPC-b156 [0,0,0,2,0,0|2,0,0]=4 366 B9R2.173 C1CNC2(C1)CCC2 SPC-b074 [0,0,0,2,0,0|1,0,0]=3 367 B9R2.173 C1C[C@@]2(CCO2)CN1 SPC-b099 [0,0,0,2,0,0|1,0,0]=3 368 B9R2.140 O[C@H]1CCC12COC2 SPC-u900 [0,0,0,2,0,0|1,0,0]=3 369 B9R2.5 F[C@H]1CNCC12CC2 SPC-u283 [0,0,0,2,0,0|2,0,0]=4 370 B9R2.14 FC12CCC1CNC2 SPC-u314 [0,0,0,2,0,0|2,0,0]=4