0 B6R0.1 CCOC(=O)C#N SPC-g163 [1,0,0,0,0,0|3,0,0]=4 1 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,0,0,0,0,0|0,0,2]=3 2 B8R0.1 CCC#CC(=O)OCC SPC-t629 [0,1,0,0,0,0|0,0,2]=3 3 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,0,0,1,0,0|2,0,0]=3 4 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 COC1CCNCC1 SPC-g777 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 COC1CCNCC1 SPC-n150 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 CO[C@@H]1CCCNC1 SPC-r030 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 CO[C@H]1CCCNC1 SPC-h111 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 CO[C@H]1CCCNC1 SPC-j189 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,0,0,1,0,0|1,0,1]=3 21 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.5 CN1CCNCC1=O SPC-j564 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.5 CN1CCNCC1=O SPC-r023 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,0,0,1,0,0|0,0,0]=1 43 B8R1.47 CO[C@H]1C[C@@H](CN)C1 SPC-q755 [0,0,0,1,0,0|2,0,1]=4 44 B5R0.1 CCC[C@H](C)N SPC-k309 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.5 CN(C)C(=O)CCN SPC-t561 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [1,1,0,0,0,0|1,0,1]=4 47 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 O=C1CCCNC1 SPC-q237 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 O=C1CCCOC1 SPC-g865 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 O=C1CCCSC1 SPC-k221 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 O=C1CCOCC1 SPC-g072 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 O=C1CCSCC1 SPC-g130 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.3 O=C1CNCCN1 SPC-g151 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 O=C1COCCN1 SPC-g147 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.22 NNC(=O)C1CC1 SPC-g371 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [1,0,0,1,0,0|0,0,0]=2 66 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [1,0,0,1,0,0|0,0,0]=2 67 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [1,0,0,1,0,0|0,0,0]=2 68 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [1,0,0,1,0,0|0,0,0]=2 69 B7R1.12 O=C(O)C1CC1F SPC-s871 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.18 CC(=O)C1CCC1 SPC-h776 [1,0,0,1,0,0|0,0,0]=2 78 B7R1.18 CC(=O)C1COC1 SPC-r005 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.18 C[C@H](N)C1CCC1 SPC-i309 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [1,0,0,1,0,0|0,0,2]=4 81 B7R1.18 N=C(N)C1CCC1 SPC-h880 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.18 NC(=O)C1CNC1 SPC-h816 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,1,0,0|0,0,0]=2 84 B7R1.18 O=C(O)C1CNC1 SPC-g671 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.18 O=C(O)C1COC1 SPC-a017 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.18 O=C(O)C1CSC1 SPC-a106 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.20 O=C(O)CC1CC1 SPC-g479 [1,0,0,1,0,0|0,0,0]=2 94 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.2 CCN1CCNC(=O)C1 SPC-t007 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.2 COC1CCCC(O)C1 SPC-q771 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 SPC-v039 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.2 NC[C@H]1CCNC(=O)C1 SPC-j120 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.2 O=C1C[C@@H](CO)CCN1 SPC-j635 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.15 CO[C@H]1COCCC1=O SPC-h609 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.48 C[C@H]1CC(=O)NCCN1 SPC-p861 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.69 CN1CC[C@H](N)CC1=O SPC-h540 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.69 CN1C[C@@H](N)CCC1=O SPC-j654 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 SPC-t564 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.69 C[C@H]1CN(C)C(=O)CN1 SPC-u382 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 SPC-u935 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.73 CCOC(=O)C1CCC1 SPC-q614 [0,1,0,1,0,0|0,0,0]=2 108 B9R1.73 CCOC(=O)C1CNC1 SPC-g636 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.73 CCOC(=O)[C@@H]1CCO1 SPC-m749 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.75 CCOC(=O)CC1CC1 SPC-q002 [0,1,0,1,0,0|0,0,0]=2 111 B9R1.117 CCCCC1(O)COC1 SPC-w031 [0,1,0,1,0,0|0,0,2]=4 112 B9R1.3 CN1CCC[C@H](N)C1=O SPC-m069 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.11 COC(=O)C1CC=CC1 SPC-n455 [0,1,0,1,0,0|0,0,1]=3 114 B9R1.11 COC(=O)[C@@H]1CCNC1 SPC-j204 [0,1,0,1,0,0|0,0,0]=2 115 B9R1.11 COC(=O)[C@@H]1CCNC1 SPC-j205 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.11 COC(=O)[C@@H]1CCOC1 SPC-h930 [0,1,0,1,0,0|0,0,0]=2 117 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-g645 [0,1,0,1,0,0|0,0,0]=2 118 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-j202 [0,1,0,1,0,0|0,0,0]=2 119 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-j203 [0,1,0,1,0,0|0,0,0]=2 120 B9R1.11 COC(=O)[C@H]1CCOC1 SPC-j338 [0,1,0,1,0,0|0,0,0]=2 121 B9R1.11 COC(=O)[C@H]1CCOC1 SPC-q074 [0,1,0,1,0,0|0,0,0]=2 122 B9R1.82 C=C1CC(C(=O)OC)C1 SPC-h791 [0,1,0,1,0,0|0,0,1]=3 123 B9R1.82 COC(=O)C1CC(=O)C1 SPC-g763 [0,1,0,1,0,0|0,0,1]=3 124 B9R1.82 COC(=O)C1CC(Br)C1 SPC-h673 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.82 COC(=O)C1CC(Cl)C1 SPC-h318 [0,1,0,1,0,0|0,0,0]=2 126 B9R1.82 COC(=O)C1CC(N)C1 SPC-k185 [0,1,0,1,0,0|0,0,0]=2 127 B9R1.82 COC(=O)C1CC(O)C1 SPC-h741 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.82 COC(=O)N1CC(O)C1 SPC-q678 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 SPC-h432 [0,1,0,1,0,0|0,0,0]=2 130 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 SPC-i358 [0,1,0,1,0,0|0,0,0]=2 131 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SPC-h525 [0,1,0,1,0,0|0,0,0]=2 132 B9R1.186 COC(=O)C1(C)CNC1 SPC-i606 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.186 COC(=O)C1(F)CNC1 SPC-i192 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.186 COC(=O)C1(N)CCC1 SPC-t828 [0,1,0,1,0,0|0,0,0]=2 135 B9R1.186 COC(=O)C1(N)COC1 SPC-i071 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.186 COC(=O)[C@]1(C)CCN1 SPC-v107 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.1 CO[C@H]1CC[C@H](N)CC1 SPC-t444 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.1 NC[C@H]1CCC(=O)NC1 SPC-n169 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.1 O=C1CO[C@@H](CO)CN1 SPC-u038 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.1 O=C1CO[C@H](CO)CN1 SPC-v317 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.79 COC(=O)C=C1COC1 SPC-h800 [0,1,0,1,0,0|0,0,2]=4 142 B9R1.79 COC(=O)CC1CNC1 SPC-g986 [0,1,0,1,0,0|0,0,0]=2 143 B9R1.79 COC(=O)CC1COC1 SPC-i599 [0,1,0,1,0,0|0,0,0]=2 144 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|0,0,0]=2 145 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|0,0,0]=2 146 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-q173 [0,1,0,1,0,0|0,0,0]=2 147 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-u663 [0,1,0,1,0,0|0,0,0]=2 148 B9R1.89 CO[C@H]1CCCNCC1 SPC-h967 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.89 CO[C@H]1CCCNCC1 SPC-j078 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.23 CN1C[C@@H](CN)CC1=O SPC-n100 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.23 CN1C[C@@H](CO)CC1=O SPC-s965 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.35 CC(C)[C@H]1COC(=O)N1 SPC-s088 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.35 O=C1N[C@H](C(F)F)CO1 SPC-v272 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.35 O=C1N[C@H](C(F)F)CO1 SPC-v445 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.40 CC1(C)CNCCC1=O SPC-m184 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.40 CC1(C)COCCC1=O SPC-p302 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.110 CN(C)C(=O)C1CNC1 SPC-i651 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.10 CC1(C)CCC(=O)CC1 SPC-r386 [0,1,0,1,0,0|1,0,0]=3 159 B9R1.10 CC1(C)CNC(=O)CN1 SPC-p617 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.10 O=C1CCC(F)(F)CC1 SPC-g678 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.10 O=C1CCC(F)(F)CN1 SPC-m328 [0,1,0,1,0,0|2,0,0]=4 162 B9R2.139 O=C1CC2(CC2)CN1 SPC-b633 [0,0,0,2,0,0|1,0,0]=3 163 B9R2.139 O=C1CC2(CC2)CO1 SPC-t063 [0,0,0,2,0,0|0,0,0]=2 164 B9R2.53 O=C1C2CNCC1C2 SPC-i426 [0,0,0,2,0,0|2,0,0]=4 165 B9R2.109 O=C1CCCC2CC12 SPC-p917 [0,0,0,2,0,0|1,0,0]=3 166 B9R2.140 O=C1COC12CCC2 SPC-b272 [0,0,0,2,0,0|2,0,0]=4 167 B9R2.140 O=C1NCC12CCC2 SPC-b647 [0,0,0,2,0,0|1,0,0]=3