0 B5R0.3 C=C(CCl)CCl SPC-g310 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CO)CO SPC-g493 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.3 NC[C@@H](F)CO SPC-s654 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 NC[C@H](F)CF SPC-w136 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 NC[C@H](F)CO SPC-s667 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 C#C[C@H](C)O SPC-s670 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 C#C[C@H](C)O SPC-t138 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 CC(=O)CN SPC-t886 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 FC(F)CBr SPC-p180 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.2 C=CCCO SPC-t137 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 C[C@@H](F)[C@@H](F)CN SPC-w140 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.3 C[C@@H](F)[C@H](F)CN SPC-w143 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.8 CCC(F)(F)CN SPC-w138 [0,1,0,0,0,0|3,0,0]=4 15 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,1,0,0|1,0,2]=4 27 B6R1.2 OC1CC=CC1 SPC-n355 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,0,0,1,0,0|1,0,0]=2 30 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,0,0,1,0,0|1,0,0]=2 34 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,0,0,1,0,0|1,0,0]=2 35 B6R1.4 CC1OCC1O SPC-r006 [0,0,0,1,0,0|1,0,0]=2 36 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,0,0,1,0,0|1,0,2]=4 40 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.4 NC1CCC1O SPC-u019 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.6 BrCC1COC1 SPC-i089 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.6 C#CC1COC1 SPC-u963 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.6 CNC1COC1 SPC-a021 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.6 ClCC1COC1 SPC-t682 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.6 FCC1CNC1 SPC-v205 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.6 ICC1CCC1 SPC-m826 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.6 ICC1COC1 SPC-i045 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.6 IC[C@H]1CCO1 SPC-i189 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.6 NCC1CCC1 SPC-a097 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.6 NCC1CCC1 SPC-g882 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.6 NCC1COC1 SPC-a020 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.6 NCC1COC1 SPC-n824 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.6 NCC1CSC1 SPC-a104 [0,0,0,1,0,0|2,1,0]=4 59 B6R1.6 NCC1CSC1 SPC-i360 [0,0,0,1,0,0|2,1,0]=4 60 B6R1.6 NC[C@H]1CCN1 SPC-i204 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.6 NC[C@H]1CCO1 SPC-a305 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.6 O=CC1COC1 SPC-r007 [0,0,0,1,0,0|1,0,2]=4 63 B6R1.6 OCC1CNC1 SPC-a250 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.6 OCC1CNC1 SPC-j113 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.6 OCC1COC1 SPC-a076 [0,0,0,1,0,0|1,0,0]=2 66 B6R1.6 OCC1CSC1 SPC-i307 [0,0,0,1,0,0|1,1,0]=3 67 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.6 OC[C@H]1CCN1 SPC-i191 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.6 OC[C@H]1CCN1 SPC-k756 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,0,0,1,0,0|1,0,0]=2 71 B6R1.7 CC1(CO)CC1 SPC-s643 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.7 CCC1(N)CC1 SPC-m910 [0,0,0,1,0,0|3,0,0]=4 73 B6R1.7 C[C@@]1(CO)CO1 SPC-v389 [0,0,0,1,0,0|1,0,0]=2 74 B6R1.7 NC1(CO)CC1 SPC-m032 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.7 NC1(CO)CC1 SPC-n639 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.7 NCC1(F)CC1 SPC-u921 [0,0,0,1,0,0|3,0,0]=4 77 B6R1.7 NCC1(N)CC1 SPC-w107 [0,0,0,1,0,0|3,0,0]=4 78 B6R1.7 NCC1(O)CC1 SPC-t963 [0,0,0,1,0,0|2,0,0]=3 79 B3R0.2 CB(O)O SPC-j988 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 CCC[C@H](C)N SPC-k309 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.1 C[C@H](N)CCO SPC-n760 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.1 OCCC(F)F SPC-u602 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.4 CC(C)(F)CO SPC-t593 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.4 CC(C)(O)CN SPC-g498 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.4 CC(F)(F)CN SPC-w137 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.5 OB(O)B(O)O SPC-s717 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.14 CC(C)(O)[C@@H](F)CN SPC-u815 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.14 C[C@@H](CO)C(F)(F)F SPC-u016 [0,2,0,0,0,0|2,0,0]=4 90 B5R1.2 BrC1CCC1 SPC-p925 [1,0,0,1,0,0|2,0,0]=4 91 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 92 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 93 B5R1.2 BrC1COC1 SPC-g331 [1,0,0,1,0,0|1,0,0]=3 94 B5R1.2 CC1CNC1 SPC-h149 [1,0,0,1,0,0|2,0,0]=4 95 B5R1.2 C[C@H]1CCN1 SPC-i601 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.2 ClC1CNC1 SPC-h126 [1,0,0,1,0,0|2,0,0]=4 97 B5R1.2 ClC1COC1 SPC-s928 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.2 FC1CNC1 SPC-g878 [1,0,0,1,0,0|2,0,0]=4 99 B5R1.2 IC1CCC1 SPC-t191 [1,0,0,1,0,0|2,0,0]=4 100 B5R1.2 IC1COC1 SPC-a300 [1,0,0,1,0,0|1,0,0]=3 101 B5R1.2 NC1CCC1 SPC-a094 [1,0,0,1,0,0|2,0,0]=4 102 B5R1.2 NC1CNC1 SPC-h131 [1,0,0,1,0,0|2,0,0]=4 103 B5R1.2 NC1COC1 SPC-a019 [1,0,0,1,0,0|1,0,0]=3 104 B5R1.2 NC1CSC1 SPC-i072 [1,0,0,1,0,0|1,1,0]=4 105 B5R1.2 OC1CNC1 SPC-a234 [1,0,0,1,0,0|1,0,0]=3 106 B5R1.2 OC1COC1 SPC-a002 [1,0,0,1,0,0|0,0,0]=2 107 B5R1.2 OC1CSC1 SPC-t361 [1,0,0,1,0,0|0,1,0]=3 108 B5R1.2 SC1CNC1 SPC-i180 [1,0,0,1,0,0|1,1,0]=4 109 B5R1.2 SC1COC1 SPC-h701 [1,0,0,1,0,0|0,1,0]=3 110 B5R1.3 OC[C@H]1CO1 SPC-t630 [1,0,0,1,0,0|0,0,0]=2 111 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [1,0,0,1,0,0|2,0,0]=4 112 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [1,0,0,1,0,0|2,0,0]=4 113 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [1,0,0,1,0,0|2,0,0]=4 114 B5R1.5 CC1(Br)CC1 SPC-m868 [1,0,0,1,0,0|2,0,0]=4 115 B5R1.5 CC1(C)CO1 SPC-p106 [1,0,0,1,0,0|1,0,0]=3 116 B5R1.5 CC1(N)CC1 SPC-q800 [1,0,0,1,0,0|2,0,0]=4 117 B5R1.5 CC1(O)CC1 SPC-m882 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.1 BrC[C@H]1CCCO1 SPC-g076 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.1 N#C[C@@H]1CCOC1 SPC-i063 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.1 N#C[C@H]1CCOC1 SPC-g788 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.1 OCC1CC=CC1 SPC-m309 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.1 OCC1OCCO1 SPC-s002 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.3 BrC1CCOCC1 SPC-g434 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.3 C[C@H]1COCCN1 SPC-m696 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.3 IC1CCOCC1 SPC-g782 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.3 NC1CCOCC1 SPC-g166 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.3 OC1CCOCC1 SPC-g695 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,1,0,1,0,0|1,0,0]=3 171 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-j842 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-p941 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.4 N[C@@H]1COC[C@H]1N SPC-r344 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [0,1,0,1,0,0|1,0,0]=3 189 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [0,1,0,1,0,0|1,0,0]=3 190 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.4 O[C@@H]1CNC[C@@H]1F SPC-v112 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.4 O[C@@H]1CNC[C@H]1F SPC-r283 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.4 O[C@@H]1CNC[C@H]1O SPC-m311 [0,1,0,1,0,0|1,0,0]=3 194 B7R1.4 O[C@H]1CNC[C@@H]1F SPC-n773 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-m146 [0,1,0,1,0,0|1,0,0]=3 196 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-s074 [0,1,0,1,0,0|1,0,0]=3 197 B7R1.4 O[C@H]1CNC[C@H]1F SPC-p954 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.4 O[C@H]1CNC[C@H]1O SPC-i555 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [0,1,0,1,0,0|0,0,0]=2 200 B7R1.6 CCNC1COC1 SPC-a295 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.6 CNCC1COC1 SPC-a301 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.6 COCC1CNC1 SPC-h904 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.6 COCC1CNC1 SPC-h928 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.6 COC[C@@H]1CCN1 SPC-i094 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.6 COC[C@@H]1CCN1 SPC-n711 [0,1,0,1,0,0|2,0,0]=4 206 B7R1.6 COC[C@H]1CCN1 SPC-h990 [0,1,0,1,0,0|2,0,0]=4 207 B7R1.6 COC[C@H]1CCN1 SPC-i646 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.6 NCCC1COC1 SPC-t456 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.6 NCC[C@H]1CCO1 SPC-s809 [0,1,0,1,0,0|2,0,0]=4 210 B7R1.6 OCCC1CNC1 SPC-a312 [0,1,0,1,0,0|2,0,0]=4 211 B7R1.6 OCCC1CNC1 SPC-q679 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.6 OCCC1COC1 SPC-a030 [0,1,0,1,0,0|1,0,0]=3 213 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [0,1,0,1,0,0|1,0,0]=3 214 B7R1.8 CN1CC[C@@H]1CO SPC-v650 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.10 CN1CC(CO)C1 SPC-m755 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.10 NC1CC(CO)C1 SPC-h550 [0,1,0,1,0,0|2,0,0]=4 218 B7R1.10 NCC1CC(O)C1 SPC-i622 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.10 OCC1CC(Cl)C1 SPC-h593 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.10 OCC1CC(F)C1 SPC-s675 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.10 OCC1CC(O)C1 SPC-v198 [0,1,0,1,0,0|1,0,0]=3 226 B7R1.21 CC1(CCO)CC1 SPC-p066 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.21 OCCC1(O)CC1 SPC-t472 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.22 N[C@H](CO)C1CC1 SPC-t738 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.25 C#CC1(O)COC1 SPC-a032 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.25 C=CC1(O)COC1 SPC-i524 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.25 CC1(CBr)COC1 SPC-h211 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.25 CC1(CI)COC1 SPC-g872 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.25 CC1(CN)COC1 SPC-a025 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.25 CC1(CO)CCC1 SPC-o100 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.25 CC1(CO)CNC1 SPC-i603 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.25 CC1(CO)COC1 SPC-a028 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.25 CC1(CO)CSC1 SPC-a105 [0,1,0,1,0,0|1,1,0]=4 238 B7R1.25 CCC1(N)COC1 SPC-i068 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.25 CCC1(O)CNC1 SPC-i547 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.25 CCC1(O)COC1 SPC-w032 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.25 FC1(CBr)COC1 SPC-i451 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.25 FC1(CI)COC1 SPC-i416 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.25 N#CC1(O)COC1 SPC-w025 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.25 NC1(CF)COC1 SPC-v304 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.25 NC1(CO)CCC1 SPC-h940 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.25 NC1(CO)COC1 SPC-a048 [0,1,0,1,0,0|1,0,0]=3 248 B7R1.25 NCC1(F)COC1 SPC-a078 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.25 NCC1(N)COC1 SPC-i378 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.25 NCC1(O)CCC1 SPC-n896 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.25 NCC1(O)COC1 SPC-a035 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.25 OCC1(F)CNC1 SPC-i385 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.25 OCC1(F)COC1 SPC-a358 [0,1,0,1,0,0|1,0,0]=3 254 B7R1.25 OCC1(O)CNC1 SPC-n325 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.25 OCC1(O)COC1 SPC-p277 [0,1,0,1,0,0|0,0,0]=2 256 B7R1.17 CC1(C)CC[C@@H]1O SPC-s189 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.17 CC1(C)OC[C@@H]1N SPC-v294 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.18 C[C@H](N)C1COC1 SPC-q999 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.18 C[C@H](O)C1CNC1 SPC-m855 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.19 CC(C)C1(O)CC1 SPC-q810 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.19 O=C(O)C1(O)CC1 SPC-g803 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.23 OC[C@@H]1CC1(F)F SPC-v049 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.23 OC[C@H]1CC1(F)F SPC-v218 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.14 C[C@@]1(O)CCNC1 SPC-n747 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.14 C[C@]1(O)CCNC1 SPC-g916 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.14 C[C@]1(O)CCNC1 SPC-j188 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.14 C[C@]1(O)CCNC1 SPC-n763 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.14 C[C@]1(O)CCNC1 SPC-s688 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.29 C#CC1(CO)CC1 SPC-n640 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.29 COC1(CN)CC1 SPC-u036 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.29 NCC1(CO)CC1 SPC-u240 [0,1,0,1,0,0|2,0,0]=4