0 B4R0.1 C#C[C@H](C)O SPC-s670 [1,0,0,0,0,0|0,1,2]=4 1 B4R0.1 C#C[C@H](C)O SPC-t138 [1,0,0,0,0,0|0,1,2]=4 2 B4R0.1 CC(=O)CN SPC-t886 [1,0,0,0,0,0|1,1,1]=4 3 B4R0.1 FC(F)CBr SPC-p180 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.3 C[C@@H](F)[C@@H](F)CN SPC-w140 [0,1,0,0,0,0|2,0,0]=3 5 B6R0.3 C[C@@H](F)[C@H](F)CN SPC-w143 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.7 CC(C)(O)C(F)F SPC-d086 [0,1,0,0,0,0|2,1,0]=4 7 B6R1.4 CC1OCC1O SPC-r006 [0,0,0,1,0,0|0,2,0]=3 8 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,0,0,1,0,0|1,1,0]=3 9 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,0,0,1,0,0|1,1,0]=3 10 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,0,0,1,0,0|1,1,0]=3 11 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,0,0,1,0,0|0,2,1]=4 12 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,0,0,1,0,0|1,1,0]=3 13 B6R1.4 NC1CCC1O SPC-u019 [0,0,0,1,0,0|1,1,0]=3 14 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,0,0,1,0,0|1,1,0]=3 15 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,0,0,1,0,0|1,1,1]=4 18 B6R1.9 FC1(F)C[C@@H]1Br SPC-p140 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.9 N[C@H]1CC1(F)F SPC-p105 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [0,0,0,1,0,0|2,0,0]=3 22 B5R0.1 CCC[C@H](C)N SPC-k309 [1,1,0,0,0,0|1,0,0]=3 23 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.1 C[C@H](N)CCO SPC-n760 [1,1,0,0,0,0|1,0,0]=3 25 B5R0.1 NCCC(F)F SPC-w135 [1,1,0,0,0,0|2,0,0]=4 26 B5R0.1 OCCC(F)F SPC-u602 [1,1,0,0,0,0|2,0,0]=4 27 B5R0.3 NC[C@@H](F)CO SPC-s654 [1,1,0,0,0,0|1,1,0]=4 28 B5R0.3 NC[C@H](F)CF SPC-w136 [1,1,0,0,0,0|2,0,0]=4 29 B5R0.3 NC[C@H](F)CO SPC-s667 [1,1,0,0,0,0|1,1,0]=4 30 B5R0.4 CC(C)(F)CO SPC-t593 [1,1,0,0,0,0|1,1,0]=4 31 B5R0.4 CC(C)(O)CN SPC-g498 [1,1,0,0,0,0|1,1,0]=4 32 B5R0.4 CC(F)(F)CN SPC-w137 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.10 NC[C@@H](F)[C@H](F)CF SPC-w141 [0,2,0,0,0,0|2,0,0]=4 34 B7R0.10 NC[C@H](F)[C@H](F)CF SPC-w142 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.14 CC(C)(O)[C@@H](F)CN SPC-u815 [0,2,0,0,0,0|1,1,0]=4 36 B5R1.2 BrC1CCC1 SPC-p925 [1,0,0,1,0,0|1,0,0]=3 37 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 38 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 39 B5R1.2 BrC1COC1 SPC-g331 [1,0,0,1,0,0|1,1,0]=4 40 B5R1.2 CC1CNC1 SPC-h149 [1,0,0,1,0,0|2,0,0]=4 41 B5R1.2 C[C@H]1CCN1 SPC-i601 [1,0,0,1,0,0|1,0,0]=3 42 B5R1.2 ClC1CNC1 SPC-h126 [1,0,0,1,0,0|2,0,0]=4 43 B5R1.2 ClC1COC1 SPC-s928 [1,0,0,1,0,0|1,1,0]=4 44 B5R1.2 FC1CNC1 SPC-g878 [1,0,0,1,0,0|2,0,0]=4 45 B5R1.2 IC1CCC1 SPC-t191 [1,0,0,1,0,0|1,0,0]=3 46 B5R1.2 IC1COC1 SPC-a300 [1,0,0,1,0,0|1,1,0]=4 47 B5R1.2 NC1CCC1 SPC-a094 [1,0,0,1,0,0|1,0,0]=3 48 B5R1.2 NC1CNC1 SPC-h131 [1,0,0,1,0,0|2,0,0]=4 49 B5R1.2 NC1COC1 SPC-a019 [1,0,0,1,0,0|1,1,0]=4 50 B5R1.2 NC1CSC1 SPC-i072 [1,0,0,1,0,0|1,0,0]=3 51 B5R1.2 O=C1CSC1 SPC-a100 [1,0,0,1,0,0|0,1,1]=4 52 B5R1.2 OC1CNC1 SPC-a234 [1,0,0,1,0,0|1,1,0]=4 53 B5R1.2 OC1COC1 SPC-a002 [1,0,0,1,0,0|0,2,0]=4 54 B5R1.2 OC1CSC1 SPC-t361 [1,0,0,1,0,0|0,1,0]=3 55 B5R1.2 SC1CNC1 SPC-i180 [1,0,0,1,0,0|1,0,0]=3 56 B5R1.2 SC1COC1 SPC-h701 [1,0,0,1,0,0|0,1,0]=3 57 B5R1.3 CNC1CC1 SPC-g900 [1,0,0,1,0,0|2,0,0]=4 58 B5R1.3 OC[C@H]1CO1 SPC-t630 [1,0,0,1,0,0|0,2,0]=4 59 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [1,0,0,1,0,0|2,0,0]=4 60 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [1,0,0,1,0,0|2,0,0]=4 61 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [1,0,0,1,0,0|2,0,0]=4 62 B5R1.5 CC1(Br)CC1 SPC-m868 [1,0,0,1,0,0|1,0,0]=3 63 B5R1.5 CC1(C)CO1 SPC-p106 [1,0,0,1,0,0|1,1,0]=4 64 B5R1.5 CC1(N)CC1 SPC-q800 [1,0,0,1,0,0|1,0,0]=3 65 B5R1.5 CC1(O)CC1 SPC-m882 [1,0,0,1,0,0|0,1,0]=3 66 B7R1.2 C[C@@H]1CC[C@@H](C)N1 SPC-s036 [0,0,0,1,0,1|2,0,0]=4 67 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,0,0,1,0,1|1,1,0]=4 68 B7R1.2 C[C@H]1CC[C@@H](C)N1 SPC-s037 [0,0,0,1,0,1|2,0,0]=4 69 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,0,0,1,0,1|1,1,0]=4 70 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,0,0,1,0,1|1,1,0]=4 71 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,0,0,1,0,1|1,1,0]=4 72 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,0,0,1,0,1|1,1,0]=4 73 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,0,0,1,0,1|1,1,0]=4 74 B7R1.2 N[C@H]1CC[C@@H](F)C1 SPC-s017 [0,0,0,1,0,1|2,0,0]=4 75 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,0,0,1,0,1|1,1,0]=4 76 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,0,0,1,0,1|1,1,0]=4 77 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,0,0,1,0,1|0,2,0]=4 78 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,0,0,1,0,1|0,2,0]=4 79 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,0,0,1,0,1|0,2,0]=4 80 B7R1.16 CC1(C)CC(N)C1 SPC-i087 [0,0,0,1,0,1|2,0,0]=4 81 B7R1.16 CC1(C)CC(O)C1 SPC-s261 [0,0,0,1,0,1|1,1,0]=4 82 B7R1.16 CC1(F)CC(N)C1 SPC-i468 [0,0,0,1,0,1|2,0,0]=4 83 B7R1.16 CC1(N)CC(F)C1 SPC-u585 [0,0,0,1,0,1|2,0,0]=4 84 B7R1.16 CC1(N)CC(O)C1 SPC-i295 [0,0,0,1,0,1|1,1,0]=4 85 B7R1.4 CC1CNCC1C SPC-t668 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [0,1,0,1,0,0|1,1,0]=4 87 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [0,1,0,1,0,0|1,1,0]=4 88 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [0,1,0,1,0,0|1,1,0]=4 89 B7R1.4 F[C@H]1CNC[C@@H]1F SPC-q471 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.4 F[C@H]1CNC[C@H]1F SPC-m145 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,1,0,1,0,0|1,1,0]=4 92 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,1,0,1,0,0|1,1,0]=4 93 B7R1.4 N[C@@H]1CCC[C@H]1F SPC-t364 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.4 N[C@@H]1CCC[C@H]1N SPC-q798 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,1,0,1,0,0|1,1,0]=4 96 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-j842 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-p941 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.4 N[C@@H]1COC[C@H]1N SPC-r344 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [0,1,0,1,0,0|1,1,0]=4 100 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,1,0,1,0,0|1,1,0]=4 101 B7R1.4 N[C@H]1CCC[C@H]1N SPC-s473 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,1,0,1,0,0|1,1,0]=4 103 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [0,1,0,1,0,0|1,1,0]=4 104 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [0,1,0,1,0,0|1,1,0]=4 105 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [0,1,0,1,0,0|1,1,0]=4 106 B7R1.4 O[C@@H]1CNC[C@@H]1F SPC-v112 [0,1,0,1,0,0|1,1,0]=4 107 B7R1.4 O[C@@H]1CNC[C@H]1F SPC-r283 [0,1,0,1,0,0|1,1,0]=4 108 B7R1.4 O[C@@H]1CNC[C@H]1O SPC-m311 [0,1,0,1,0,0|0,2,0]=4 109 B7R1.4 O[C@H]1CNC[C@@H]1F SPC-n773 [0,1,0,1,0,0|1,1,0]=4 110 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-m146 [0,1,0,1,0,0|0,2,0]=4 111 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-s074 [0,1,0,1,0,0|0,2,0]=4 112 B7R1.4 O[C@H]1CNC[C@H]1F SPC-p954 [0,1,0,1,0,0|1,1,0]=4 113 B7R1.4 O[C@H]1CNC[C@H]1O SPC-i555 [0,1,0,1,0,0|0,2,0]=4 114 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [0,1,0,1,0,0|0,2,0]=4 115 B7R1.17 CC1(C)CC[C@@H]1O SPC-s189 [0,1,0,1,0,0|1,1,0]=4 116 B7R1.17 CC1(C)OC[C@@H]1N SPC-v294 [0,1,0,1,0,0|1,1,0]=4 117 B7R1.18 C[C@H](N)C1CCC1 SPC-i309 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.18 C[C@H](N)C1COC1 SPC-q999 [0,1,0,1,0,0|1,1,0]=4 119 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,1,0,1,0,0|1,1,0]=4 120 B7R1.18 C[C@H](O)C1CNC1 SPC-m855 [0,1,0,1,0,0|1,1,0]=4 121 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,1,0,1,0,0|0,2,0]=4 122 B7R1.19 CC(C)C1(O)CC1 SPC-q810 [0,1,0,1,0,0|1,1,0]=4 123 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.22 N[C@H](CO)C1CC1 SPC-t738 [0,1,0,1,0,0|2,0,0]=4