0 B4R0.2 C=CCCO SPC-t137 [1,0,0,0,0,0|0,0,2]=3 1 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,1,0,0,0,0|0,0,3]=4 2 B6R0.6 ICCCCCI SPC-m904 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.1 C1=CCNCC1 SPC-g659 [0,0,0,1,0,0|1,0,2]=4 4 B6R1.1 C1=CCOCC1 SPC-h047 [0,0,0,1,0,0|0,0,2]=3 5 B6R1.1 C1CSCCN1 SPC-g309 [0,0,0,1,0,0|1,1,0]=3 6 B6R1.1 C1CSCSC1 SPC-s111 [0,0,0,1,0,0|1,1,0]=3 7 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,0,0,1,0,0|2,0,0]=3 8 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,0,0,1,0,0|1,0,0]=2 9 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,0,0,1,0,0|1,0,0]=2 10 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,0,0,1,0,0|2,0,0]=3 11 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,0,0,1,0,0|2,0,0]=3 12 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,0,0,1,0,0|2,0,0]=3 13 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,0,0,1,0,0|2,0,0]=3 14 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,1,0,0|1,0,0]=2 15 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,0,0,1,0,0|2,0,0]=3 19 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.2 O=C1CCNC1 SPC-g182 [0,0,0,1,0,0|1,0,2]=4 21 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,1,0,0|1,0,2]=4 22 B6R1.2 OC1CC=CC1 SPC-n355 [0,0,0,1,0,0|0,0,2]=3 23 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,0,0,1,0,0|1,0,0]=2 25 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,0,0,1,0,0|1,0,0]=2 26 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,0,0,1,0,0|1,0,0]=2 28 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,0,0,1,0,0|1,0,0]=2 29 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,0,0,1,0,0|1,0,0]=2 30 B6R1.3 CNCC1CC1 SPC-h311 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.3 ICCC1CC1 SPC-k255 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.3 N#CCC1CC1 SPC-t648 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.3 NCCC1CC1 SPC-t690 [0,0,0,1,0,0|1,0,0]=2 34 B6R1.3 NNCC1CC1 SPC-k402 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.3 OCCC1CC1 SPC-h056 [0,0,0,1,0,0|0,0,0]=1 36 B6R1.4 CC1OCC1O SPC-r006 [0,0,0,1,0,0|1,0,0]=2 37 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,0,0,1,0,0|1,0,0]=2 38 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,0,0,1,0,0|1,0,0]=2 39 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,0,0,1,0,0|1,0,0]=2 40 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,0,0,1,0,0|1,0,2]=4 41 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,0,0,1,0,0|1,0,0]=2 42 B6R1.4 NC1CCC1O SPC-u019 [0,0,0,1,0,0|1,0,0]=2 43 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,0,0,1,0,0|1,0,0]=2 44 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,0,0,1,0,0|2,0,0]=3 45 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,0,0,1,0,0|1,0,2]=4 47 B6R1.6 BrCC1COC1 SPC-i089 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [0,0,0,1,0,0|1,0,0]=2 49 B6R1.6 C#CC1CNC1 SPC-u916 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.6 C#CC1COC1 SPC-u963 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.6 CNC1CNC1 SPC-i584 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.6 CNC1COC1 SPC-a021 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.6 COC1CNC1 SPC-g356 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.6 CSC1CNC1 SPC-h865 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.6 CSC1CNC1 SPC-u349 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.6 ClCC1COC1 SPC-t682 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.6 FCC1CNC1 SPC-v205 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.6 ICC1CCC1 SPC-m826 [0,0,0,1,0,0|1,0,0]=2 59 B6R1.6 ICC1COC1 SPC-i045 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.6 IC[C@H]1CCO1 SPC-i189 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.6 N#CC1CNC1 SPC-g567 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.6 N#C[C@@H]1CCN1 SPC-p919 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.6 N#C[C@H]1CCN1 SPC-u912 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.6 NCC1CCC1 SPC-a097 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.6 NCC1CCC1 SPC-g882 [0,0,0,1,0,0|1,0,0]=2 66 B6R1.6 NCC1COC1 SPC-a020 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.6 NCC1COC1 SPC-n824 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.6 NCC1CSC1 SPC-a104 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.6 NCC1CSC1 SPC-i360 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.6 NC[C@H]1CCN1 SPC-i204 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.6 NC[C@H]1CCO1 SPC-a305 [0,0,0,1,0,0|1,0,0]=2 72 B6R1.6 O=CC1COC1 SPC-r007 [0,0,0,1,0,0|1,0,2]=4 73 B6R1.6 OCC1CNC1 SPC-a250 [0,0,0,1,0,0|1,0,0]=2 74 B6R1.6 OCC1CNC1 SPC-j113 [0,0,0,1,0,0|1,0,0]=2 75 B6R1.6 OCC1COC1 SPC-a076 [0,0,0,1,0,0|1,0,0]=2 76 B6R1.6 OCC1CSC1 SPC-i307 [0,0,0,1,0,0|1,0,0]=2 77 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [0,0,0,1,0,0|1,0,0]=2 78 B6R1.6 OC[C@H]1CCN1 SPC-i191 [0,0,0,1,0,0|1,0,0]=2 79 B6R1.6 OC[C@H]1CCN1 SPC-k756 [0,0,0,1,0,0|1,0,0]=2 80 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,0,0,1,0,0|1,0,0]=2 81 B5R0.1 CCC[C@H](C)N SPC-k309 [1,1,0,0,0,0|0,0,0]=2 82 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,1,0,0,0,0|0,0,0]=2 83 B5R0.1 C[C@H](N)CCO SPC-n760 [1,1,0,0,0,0|0,0,0]=2 84 B5R0.1 NCCC(F)F SPC-w135 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 OCCC(F)F SPC-u602 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.3 C=C(CO)CO SPC-g493 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.3 NC[C@@H](F)CO SPC-s654 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.3 NC[C@H](F)CF SPC-w136 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 NC[C@H](F)CO SPC-s667 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.10 NC[C@@H](F)[C@H](F)CF SPC-w141 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.10 NC[C@H](F)[C@H](F)CF SPC-w142 [0,2,0,0,0,0|2,0,0]=4 92 B5R1.2 BrC1CCC1 SPC-p925 [1,0,0,1,0,0|1,0,0]=3 93 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 94 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 95 B5R1.2 BrC1COC1 SPC-g331 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.2 CC1CNC1 SPC-h149 [1,0,0,1,0,0|1,0,0]=3 97 B5R1.2 C[C@H]1CCN1 SPC-i601 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.2 ClC1CNC1 SPC-h126 [1,0,0,1,0,0|2,0,0]=4 99 B5R1.2 ClC1COC1 SPC-s928 [1,0,0,1,0,0|2,0,0]=4 100 B5R1.2 FC1CNC1 SPC-g878 [1,0,0,1,0,0|2,0,0]=4 101 B5R1.2 IC1CCC1 SPC-t191 [1,0,0,1,0,0|1,0,0]=3 102 B5R1.2 IC1COC1 SPC-a300 [1,0,0,1,0,0|2,0,0]=4 103 B5R1.2 NC1CCC1 SPC-a094 [1,0,0,1,0,0|1,0,0]=3 104 B5R1.2 NC1CNC1 SPC-h131 [1,0,0,1,0,0|2,0,0]=4 105 B5R1.2 NC1COC1 SPC-a019 [1,0,0,1,0,0|2,0,0]=4 106 B5R1.2 NC1CSC1 SPC-i072 [1,0,0,1,0,0|2,0,0]=4 107 B5R1.2 OC1CNC1 SPC-a234 [1,0,0,1,0,0|1,0,0]=3 108 B5R1.2 OC1COC1 SPC-a002 [1,0,0,1,0,0|1,0,0]=3 109 B5R1.2 OC1CSC1 SPC-t361 [1,0,0,1,0,0|1,0,0]=3 110 B5R1.2 SC1CNC1 SPC-i180 [1,0,0,1,0,0|1,1,0]=4 111 B5R1.2 SC1COC1 SPC-h701 [1,0,0,1,0,0|1,1,0]=4 112 B5R1.3 CNC1CC1 SPC-g900 [1,0,0,1,0,0|1,0,0]=3 113 B5R1.3 OC[C@H]1CO1 SPC-t630 [1,0,0,1,0,0|1,0,0]=3 114 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [1,0,0,1,0,0|2,0,0]=4 115 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [1,0,0,1,0,0|2,0,0]=4 116 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.1 BrCC1=CCCC1 SPC-n905 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.1 BrCC1CCCC1 SPC-s715 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.1 BrC[C@H]1CCCO1 SPC-g076 [0,1,0,1,0,0|0,0,0]=2 120 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.1 C#C[C@@H]1CCCN1 SPC-p226 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.1 FC[C@@H]1CCCN1 SPC-h660 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.1 FC[C@@H]1CCNC1 SPC-v090 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.1 FC[C@H]1CCCN1 SPC-j761 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.1 N#C[C@@H]1CCCN1 SPC-j755 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.1 N#C[C@@H]1CCCN1 SPC-j756 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.1 N#C[C@@H]1CCNC1 SPC-m809 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.1 N#C[C@@H]1CCOC1 SPC-i063 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.1 N#C[C@H]1CCNC1 SPC-m594 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.1 N#C[C@H]1CCNC1 SPC-n498 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.1 N#C[C@H]1CCOC1 SPC-g788 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.1 NCC1CCCC1 SPC-k191 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.1 NCC1CCCC1 SPC-t893 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.1 NC[C@@H]1CCCN1 SPC-k181 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.1 OCC1CC=CC1 SPC-m309 [0,1,0,1,0,0|0,0,1]=3 150 B7R1.1 OCC1OCCO1 SPC-s002 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [0,1,0,1,0,0|0,0,0]=2 152 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [0,1,0,1,0,0|0,0,0]=2 153 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [0,1,0,1,0,0|0,0,0]=2 154 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [0,1,0,1,0,0|0,0,0]=2 155 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [0,1,0,1,0,0|0,0,0]=2 156 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [0,1,0,1,0,0|0,0,0]=2 157 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [0,1,0,1,0,0|0,0,0]=2 158 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [0,1,0,1,0,0|0,0,0]=2 159 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [0,1,0,1,0,0|0,0,0]=2 160 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [0,1,0,1,0,0|0,0,0]=2 161 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.2 C[C@@H]1CC[C@@H](C)N1 SPC-s036 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.2 C[C@H]1CC[C@@H](C)N1 SPC-s037 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,1,0,1,0,0|1,0,0]=3 171 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,1,0,1,0,0|0,0,0]=2 172 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,1,0,1,0,0|0,0,0]=2 173 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,1,0,1,0,0|0,0,0]=2 174 B7R1.2 N[C@H]1CC[C@@H](F)C1 SPC-s017 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,1,0,1,0,0|0,0,0]=2 176 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,1,0,1,0,0|0,0,0]=2 177 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,1,0,1,0,0|0,0,1]=3 178 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,1,0,1,0,0|1,0,1]=4 179 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,1,0,1,0,0|0,0,0]=2 180 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,1,0,1,0,0|0,0,0]=2 181 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,1,0,1,0,0|0,0,0]=2 182 B7R1.3 BrC1CCOCC1 SPC-g434 [0,1,0,1,0,0|0,0,0]=2 183 B7R1.3 C=C1CCOCC1 SPC-m646 [0,1,0,1,0,0|0,0,1]=3 184 B7R1.3 CC1=CCCNC1 SPC-m637 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.3 CC1=CCNCC1 SPC-h455 [0,1,0,1,0,0|1,0,1]=4 186 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [0,1,0,1,0,0|1,0,0]=3 187 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [0,1,0,1,0,0|0,0,0]=2 188 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [0,1,0,1,0,0|1,0,0]=3 189 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [0,1,0,1,0,0|0,0,0]=2 190 B7R1.3 C[C@H]1COCCN1 SPC-m696 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.3 FC1CCNCC1 SPC-g555 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [0,1,0,1,0,0|1,0,0]=3 193 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [0,1,0,1,0,0|1,0,0]=3 194 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [0,1,0,1,0,0|1,0,0]=3 195 B7R1.3 IC1CCOCC1 SPC-g782 [0,1,0,1,0,0|0,0,0]=2 196 B7R1.3 NC1CCOCC1 SPC-g166 [0,1,0,1,0,0|0,0,0]=2 197 B7R1.3 NC1CCSCC1 SPC-a111 [0,1,0,1,0,0|0,1,0]=3 198 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [0,1,0,1,0,0|0,0,0]=2 199 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [0,1,0,1,0,0|0,0,0]=2 200 B7R1.3 O=C1CCCNC1 SPC-q237 [0,1,0,1,0,0|0,0,2]=4 201 B7R1.3 O=C1CCCOC1 SPC-g865 [0,1,0,1,0,0|0,0,1]=3 202 B7R1.3 O=C1CCCSC1 SPC-k221 [0,1,0,1,0,0|0,0,2]=4 203 B7R1.3 O=C1CCOCC1 SPC-g072 [0,1,0,1,0,0|0,0,1]=3 204 B7R1.3 O=C1CCSCC1 SPC-g130 [0,1,0,1,0,0|0,0,2]=4 205 B7R1.3 O=C1COCCN1 SPC-g147 [0,1,0,1,0,0|1,0,1]=4 206 B7R1.3 OC1CCOCC1 SPC-g695 [0,1,0,1,0,0|0,0,0]=2 207 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,1,0,1,0,0|0,0,0]=2 208 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,1,0,1,0,0|0,0,0]=2 209 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,1,0,1,0,0|0,0,0]=2 210 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,1,0,1,0,0|0,0,0]=2 211 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,1,0,1,0,0|0,0,0]=2 212 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,1,0,1,0,0|0,0,0]=2 213 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,1,0,1,0,0|0,0,0]=2 214 B7R1.3 SC1CCNCC1 SPC-m332 [0,1,0,1,0,0|0,1,0]=3 215 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [0,1,0,1,0,0|0,1,0]=3 216 B7R1.4 CC1CNCC1C SPC-t668 [0,1,0,1,0,0|1,0,0]=3 217 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [0,1,0,1,0,0|0,0,0]=2 218 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [0,1,0,1,0,0|0,0,0]=2 219 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [0,1,0,1,0,0|1,0,0]=3 220 B7R1.4 F[C@H]1CNC[C@@H]1F SPC-q471 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.4 F[C@H]1CNC[C@H]1F SPC-m145 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,1,0,1,0,0|0,0,0]=2 223 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,1,0,1,0,0|0,0,0]=2 224 B7R1.4 N[C@@H]1CCC[C@H]1F SPC-t364 [0,1,0,1,0,0|1,0,0]=3 225 B7R1.4 N[C@@H]1CCC[C@H]1N SPC-q798 [0,1,0,1,0,0|1,0,0]=3 226 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,1,0,1,0,0|0,0,0]=2 227 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-j842 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-p941 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.4 N[C@@H]1COC[C@H]1N SPC-r344 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [0,1,0,1,0,0|1,0,0]=3 231 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,1,0,1,0,0|0,0,0]=2 232 B7R1.4 N[C@H]1CCC[C@H]1N SPC-s473 [0,1,0,1,0,0|1,0,0]=3 233 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,1,0,1,0,0|0,0,0]=2 234 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.4 O[C@@H]1CNC[C@@H]1F SPC-v112 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.4 O[C@@H]1CNC[C@H]1F SPC-r283 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.4 O[C@@H]1CNC[C@H]1O SPC-m311 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.4 O[C@H]1CNC[C@@H]1F SPC-n773 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-m146 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-s074 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.4 O[C@H]1CNC[C@H]1F SPC-p954 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.4 O[C@H]1CNC[C@H]1O SPC-i555 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.6 C=CCC1CNC1 SPC-i312 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.6 CCNC1COC1 SPC-a295 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.6 CCOC1CNC1 SPC-u336 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.6 CNCC1COC1 SPC-a301 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.6 COCC1CNC1 SPC-h904 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.6 COCC1CNC1 SPC-h928 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.6 COC[C@@H]1CCN1 SPC-i094 [0,1,0,1,0,0|1,0,0]=3 254 B7R1.6 COC[C@@H]1CCN1 SPC-n711 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.6 COC[C@H]1CCN1 SPC-h990 [0,1,0,1,0,0|1,0,0]=3 256 B7R1.6 COC[C@H]1CCN1 SPC-i646 [0,1,0,1,0,0|1,0,0]=3 257 B7R1.6 N#CCC1CNC1 SPC-h982 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.6 NCCC1CCC1 SPC-p217 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.6 NCCC1COC1 SPC-t456 [0,1,0,1,0,0|1,0,0]=3 260 B7R1.6 NCCN1CCC1 SPC-k453 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.6 NCC[C@H]1CCO1 SPC-s809 [0,1,0,1,0,0|0,0,0]=2 262 B7R1.6 NNCC1CCC1 SPC-n354 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.6 OCCC1CNC1 SPC-a312 [0,1,0,1,0,0|0,0,0]=2 264 B7R1.6 OCCC1CNC1 SPC-q679 [0,1,0,1,0,0|0,0,0]=2 265 B7R1.6 OCCC1COC1 SPC-a030 [0,1,0,1,0,0|0,0,0]=2 266 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [0,1,0,1,0,0|0,0,0]=2 267 B7R1.8 CN1CC[C@@H]1CN SPC-n649 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.8 CN1CC[C@@H]1CN SPC-n832 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.8 CN1CC[C@@H]1CO SPC-v650 [0,1,0,1,0,0|0,0,0]=2 270 B7R1.8 CN1CC[C@H]1CN SPC-n833 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,1,0,1,0,0|0,0,1]=3 272 B7R1.10 CCN1CC(N)C1 SPC-i103 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.10 CCN1CC(O)C1 SPC-i868 [0,1,0,1,0,0|1,0,0]=3 274 B7R1.10 CN1CC(CN)C1 SPC-a123 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.10 CN1CC(CO)C1 SPC-m755 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.10 CN[C@H]1C[C@H](O)C1 SPC-i936 [0,1,0,1,0,0|1,0,0]=3 277 B7R1.10 COC1CC(N)C1 SPC-h655 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.10 N#CC1CC(F)C1 SPC-q757 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.10 N#CC1CC(O)C1 SPC-i870 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.10 N#C[C@H]1C[C@@H](O)C1 SPC-u824 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.10 N#C[C@H]1C[C@H](N)C1 SPC-t371 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.10 N#C[C@H]1C[C@H](O)C1 SPC-v028 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.10 NC1CC(CO)C1 SPC-h550 [0,1,0,1,0,0|0,0,0]=2 284 B7R1.10 NCC1CC(F)C1 SPC-h035 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.10 NCC1CC(O)C1 SPC-i622 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,1,0,1,0,0|0,0,1]=3 291 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.10 OCC1CC(Cl)C1 SPC-h593 [0,1,0,1,0,0|0,0,0]=2 293 B7R1.10 OCC1CC(F)C1 SPC-s675 [0,1,0,1,0,0|0,0,0]=2 294 B7R1.10 OCC1CC(O)C1 SPC-v198 [0,1,0,1,0,0|0,0,0]=2 295 B7R1.21 CC1(CCO)CC1 SPC-p066 [0,1,0,1,0,0|0,0,0]=2 296 B7R1.21 OCCC1(O)CC1 SPC-t472 [0,1,0,1,0,0|0,0,0]=2 297 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.22 N[C@H](CO)C1CC1 SPC-t738 [0,1,0,1,0,0|0,0,0]=2 299 B7R1.25 CC1(CBr)COC1 SPC-h211 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.25 CC1(CI)COC1 SPC-g872 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.25 CC1(CN)CCC1 SPC-h987 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.25 CC1(CN)CNC1 SPC-i294 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.25 CC1(CN)COC1 SPC-a025 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.25 CC1(CO)CCC1 SPC-o100 [0,1,0,1,0,0|0,0,0]=2 305 B7R1.25 CC1(CO)CNC1 SPC-i603 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.25 CC1(CO)COC1 SPC-a028 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.25 CC1(CO)CSC1 SPC-a105 [0,1,0,1,0,0|1,0,0]=3 308 B7R1.25 CCC1(N)CNC1 SPC-s932 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.25 CCC1(N)COC1 SPC-i068 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.25 CCC1(O)CNC1 SPC-i547 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.25 CCC1(O)COC1 SPC-w032 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [0,1,0,1,0,0|1,0,0]=3 313 B7R1.25 FC1(CBr)COC1 SPC-i451 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.25 FC1(CI)COC1 SPC-i416 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.25 NC1(CF)COC1 SPC-v304 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.25 NC1(CO)CCC1 SPC-h940 [0,1,0,1,0,0|0,0,0]=2 317 B7R1.25 NC1(CO)COC1 SPC-a048 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.25 NCC1(F)CCC1 SPC-k558 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.25 NCC1(F)COC1 SPC-a078 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.25 NCC1(N)CCC1 SPC-w108 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.25 NCC1(N)COC1 SPC-i378 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.25 NCC1(O)CCC1 SPC-n896 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.25 NCC1(O)COC1 SPC-a035 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.25 OCC1(F)CNC1 SPC-i385 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.25 OCC1(F)COC1 SPC-a358 [0,1,0,1,0,0|1,0,0]=3 326 B7R1.25 OCC1(O)CNC1 SPC-n325 [0,1,0,1,0,0|1,0,0]=3 327 B7R1.25 OCC1(O)COC1 SPC-p277 [0,1,0,1,0,0|1,0,0]=3 328 B7R1.7 OCC#CC1CC1 SPC-q818 [0,1,0,1,0,0|0,0,1]=3 329 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,1,0,1,0,0|0,0,1]=3 330 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,1,0,1,0,0|0,0,1]=3 331 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,1,0,1,0,0|0,0,1]=3 332 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,1,0,1,0,0|0,0,1]=3 333 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.14 CC1(C)CCCN1 SPC-p107 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.14 CC1(C)CCNC1 SPC-m061 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.14 C[C@@]1(O)CCNC1 SPC-n747 [0,1,0,1,0,0|1,0,0]=3 343 B7R1.14 C[C@]1(F)CCNC1 SPC-n059 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.14 C[C@]1(O)CCNC1 SPC-g916 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.14 C[C@]1(O)CCNC1 SPC-j188 [0,1,0,1,0,0|1,0,0]=3 347 B7R1.14 C[C@]1(O)CCNC1 SPC-n763 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.14 C[C@]1(O)CCNC1 SPC-s688 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.14 FC1(F)CCNC1 SPC-g879 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.17 CC1(C)CCC1=O SPC-s190 [0,1,0,1,0,0|0,0,2]=4 352 B7R1.17 CC1(C)CC[C@@H]1O SPC-s189 [0,1,0,1,0,0|0,0,0]=2 353 B7R1.17 CC1(C)OC[C@@H]1N SPC-v294 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,1,0,1,0,0|0,0,2]=4 355 B7R1.18 C[C@H](N)C1CCC1 SPC-i309 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.18 C[C@H](N)C1COC1 SPC-q999 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,1,0,1,0,0|0,0,0]=2 358 B7R1.18 C[C@H](O)C1CNC1 SPC-m855 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.18 FC(F)C1CNC1 SPC-i138 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.18 N=C(N)C1CCC1 SPC-h880 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,1,0,1,0,0|0,0,1]=3 363 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,1,0,1,0,0|0,0,1]=3 373 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.23 OC[C@@H]1CC1(F)F SPC-v049 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.23 OC[C@H]1CC1(F)F SPC-v218 [0,1,0,1,0,0|1,0,0]=3 376 B7R2.13 C1CC2CC2N1 SPC-p171 [0,0,0,2,0,0|1,0,0]=3 377 B7R2.13 C1NCC2CC12 SPC-a322 [0,0,0,2,0,0|1,0,0]=3 378 B7R2.11 C1NC2CC1C2 SPC-i373 [0,0,0,2,0,0|1,0,0]=3 379 B7R2.16 C1CC12CNC2 SPC-t527 [0,0,0,2,0,0|2,0,0]=4