0 B6R0.1 C#CC(=O)OCC 4070 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC(=O)OCC 24719 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCOC(=N)CCl 44863 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCOC(=O)C#N 26282 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=O)C=O 27307 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCOC(=O)CF 23757 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCOC(=O)CN 10926 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCOC(=O)NO 12451 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CC\C=C(/C)C=O 36081 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.1 CC#CC(=O)O 16226 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC(=O)NCO 11062 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(=O)\C=N\O 13359 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(=O)\C=N\O 31878 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CC(C)=CC=O 3075 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CC(C)=CCBr 35170 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CCCC(=N)N 16315 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CCCC(=O)Cl 13241 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CCCC(C)N 26317 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CCC[C@@H](C)O 6721 [1,0,0,0,0,0|0,0,3]=4 19 B5R0.1 CCC[C@H](C)O 6719 [1,0,0,0,0,0|0,0,3]=4 20 B5R0.1 CCNC(C)C 10283 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CCOC(=S)[S-] 36079 [1,0,0,0,0,0|2,1,0]=4 22 B5R0.1 CCOC(C)=N 2020 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CCSC(C)=S 12459 [1,0,0,0,0,0|1,1,0]=3 24 B5R0.1 CNCC(=O)O 10995 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 NCCC(=O)O 10996 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 NCCC(N)=O 18936 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 O=C(Cl)CCBr 31904 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 O=C(Cl)CCCl 13691 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 O=C(O)CCCl 13689 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 O=C(O)CCO 12598 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 O=C(O)CCS 36422 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 O=C(O)\C=C\Cl 35750 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 O=C(O)\C=C\I 11671 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 BrC\C=C\CBr 9987 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 COCCC=O 24309 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CO\C=C\C#N 24705 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 ClC\C=C\CCl 18743 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 ClC\C=C\CCl 29077 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 NC\C=C\CCl 25442 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 OC\C=C\CCl 29079 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.2 OC\C=C\CO 13982 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.2 O\C=C\CCO 35113 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.3 C=CC(=O)CBr 13741 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.3 C=CC(=O)CO 32353 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.3 CC[C@H](C)C#N 32183 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.3 CC[C@H](C)CN 16256 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.3 O=CC(Cl)C=O 27131 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 O=CC(O)CO 13962 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.3 O=C[C@@H](O)CO 6339 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 O=C[C@@H](O)CO 6340 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.3 O=C[C@H](O)CO 6338 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.2 C=CC(=O)NC(C)C 35024 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.2 CN\C(C)=C\C(C)=O 12814 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.5 CCCC(C)C(=O)Cl 21794 [0,1,0,0,0,0|0,0,2]=3 55 B7R0.5 CCCC(C)C(=O)O 2465 [0,1,0,0,0,0|0,0,2]=3 56 B7R0.5 CCC[C@H](C)C(=O)O 5642 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.5 CCC[C@H](N)C(=O)O 5727 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.5 CCOC(=S)C(N)=O 24587 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.7 CCOC(=O)C=[N+]=[N-] 23911 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.7 CCOC(=O)N=C=O 35995 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.7 CCOC(=O)\C=C\I 11670 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 O=CC1=CC=CN1 28928 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.1 O=CC1=CC=CN1 9140 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.1 O=CC1=CC=CO1 24739 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.1 O=CC1=CC=CS1 5153 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.1 O=CC1=CN=CS1 14219 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 O=CC1=CNC=C1 18051 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.1 O=CC1=CNC=N1 8980 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.1 O=CC1=CNN=C1 23658 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 O=CC1=CNN=C1 36037 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 O=CC1=CNN=C1 36038 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 O=CC1=COC=C1 6948 [0,0,0,1,0,0|1,0,2]=4 73 B7R1.1 O=CC1=CSC=C1 5176 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.1 O=CC1=CSC=N1 13812 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 O=CC1=NNC=C1 14337 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 O=CC1=NOC=C1 14352 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 O=CC1CCCC1 27475 [0,0,0,1,0,0|0,0,2]=3 78 B7R1.1 O=CC1CCCO1 27177 [0,0,0,1,0,0|1,0,1]=3 79 B7R1.2 CC1=CC(Br)=CS1 5261 [0,0,0,1,0,0|1,1,1]=4 80 B7R1.2 CC1=CC(C)=NN1 13256 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 CC1=CC(C)=NO1 8641 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.2 CC1=CC=C(C)S1 5194 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 CC1=CN(C)C=N1 16470 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 CC1=CN(C)N=C1 20859 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.2 CC1=CNC(C)=C1 24003 [0,0,0,1,0,0|1,0,1]=3 86 B7R1.2 CC1=CNC(C)=N1 18587 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.2 CC1=COC(C)=N1 8635 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.2 CC1=COC(O)=C1 22255 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.2 CC1=CSC(C)=N1 9937 [0,0,0,1,0,0|1,1,1]=4 90 B7R1.2 CC1=NN(C)C=C1 9119 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 CN1C=C(Br)C=N1 16867 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 CN1C=C(I)C=N1 24346 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 CN1C=C(N)C=N1 32367 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.2 CN1C=C(N)C=N1 35967 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.3 BrC1=CCCCC1 29716 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 CC1=CN=CN=C1 7207 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.4 BrC1=C(Br)CCC1 13714 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.4 CC1=C(Br)SC=C1 5191 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.4 CC1=C(C)SC=C1 7751 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.4 CC1=C(Cl)SC=C1 5164 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.4 CC1=C(N)ON=C1 19884 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 CC1=CNN=C1C 36259 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.4 CC1=COC=C1C 15014 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 CC1=CSC=C1Br 21832 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.4 CC1CCNC1=O 18075 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.4 CC1OCCC1=O 7120 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.4 CN1CCCC1=O 17618 [0,0,0,1,0,0|1,0,1]=3 108 B7R1.4 NN1CCCC1=O 26204 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.25 CC1(C=O)COC1 24599 [0,0,0,1,0,0|1,0,2]=4 110 B4R0.1 C#CC(C)=O 2024 [2,0,0,0,0,0|0,0,2]=4 111 B4R0.1 C=C(C)CCl 20429 [2,0,0,0,0,0|1,0,0]=3 112 B4R0.1 C=CC(=O)O 21090 [2,0,0,0,0,0|1,0,1]=4 113 B4R0.1 C=CC(N)=O 14147 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(=O)CBr 24199 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 CC(C)=CBr 29713 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 CC=C(C)C 2026 [2,0,0,0,0,0|0,0,1]=3 117 B4R0.1 CCC(C)Br 3753 [2,0,0,0,0,0|1,0,1]=4 118 B4R0.1 CCC(C)I 3940 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.1 CCC(C)O 6718 [2,0,0,0,0,0|0,0,2]=4 120 B4R0.1 CCC([NH-])=O 10938 [2,0,0,0,0,0|1,0,0]=3 121 B4R0.1 CCN(C)C 10322 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 CCS(=O)[O-] 24643 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 CC[C@@H](C)N 6741 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 CC[C@@H](C)O 6717 [2,0,0,0,0,0|0,0,2]=4 125 B4R0.1 CC[C@H](C)N 6743 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 CN(C)C=O 23341 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.1 COC(C)=N 2122 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 C\C=C(/C)Br 29073 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.1 NC(=O)CBr 31995 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 NC(=O)CI 12542 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 NCC(=O)O 18924 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.1 NCC(=O)[O-] 26210 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 NCC(=O)[O-] 9921 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 NCC(N)=O 13019 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 O=C(Cl)CBr 24880 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 O=C(O)CBr 13144 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 O=CC(=O)O 19965 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 C=CCCN 10268 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 C=CCCN 36002 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.2 C=CCCO 18909 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.2 C=COCC 18645 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.2 CCN=C=O 18636 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.2 CCNCC 14036 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.2 CCNCC 17237 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.2 CC[B+]CC 26091 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|0,0,0]=2 147 B4R0.2 C\C=C\CO 21075 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.2 CC(=O)\C=C(/C)N 12810 [1,1,0,0,0,0|0,0,1]=3 149 B6R0.2 CC(C)=CC(=O)Cl 35639 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.2 CC(C)=CC(=O)O 21295 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.2 CC(Cl)OC(=O)Cl 17418 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.2 CC(O)CC(=O)O 13860 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.2 C[C@@H](N)CC(=O)O 30087 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.2 C[C@H](N)CC(=O)O 13856 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.3 CCC(=O)C(=O)O 24837 [1,1,0,0,0,0|1,0,0]=3 156 B6R0.3 CCC(=O)C(=O)[O-] 17406 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.3 CCC(Br)C(=O)O 14564 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.3 CCC(N)C(=O)O 27168 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.3 CCN(C)C(=O)Cl 16066 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.3 CC[C@@H](C)C(=O)O 32186 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.3 CC[C@@H](N)C(=O)O 13431 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.3 CC[C@@H](N)C(=O)O 15607 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.3 CC[C@H](Br)C(=O)O 8279 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.3 CC[C@H](C)C(=O)O 36048 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 CC[C@H](C)C(=O)O 36048 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.3 CC[C@H](N)C(=O)O 16473 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.3 CC[C@H](N)C(=O)O 16477 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.3 CC[C@H](N)C(N)=O 28166 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.3 CC[C@H](N)C(N)=O 5725 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.3 CC[C@H](O)C(=O)O 8265 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.3 COC(=O)C(C)=O 35415 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 CON(C)C(C)=O 12775 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 C\C=C(/C)C(=O)O 30426 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.4 C=C(C)CNCC 10272 [1,1,0,0,0,0|0,0,1]=3 176 B6R0.4 CC(=O)CCCCl 17207 [1,1,0,0,0,0|0,0,1]=3 177 B6R0.4 CC(=O)NCCN 19141 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.4 CC(=O)OCCBr 19081 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.4 CCCCC(=O)Cl 21358 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 CCCCC(=O)[O-] 27064 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.4 CCNCC(=O)O 23122 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.4 CC\C=C\C(C)=O 32068 [1,1,0,0,0,0|0,0,0]=2 183 B6R0.4 CO\C=C\C(C)=O 28206 [1,1,0,0,0,0|0,0,1]=3 184 B6R0.4 O=C(Cl)CCCCl 32347 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 O=C(O)CCCBr 3754 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.4 O=C(O)CCCS 36247 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.6 CCCCCC=O 3077 [1,1,0,0,0,0|0,0,2]=4 188 B6R0.6 CCC\C=C\CO 18917 [1,1,0,0,0,0|0,0,2]=4 189 B6R0.6 C\C=C\C=C\CO 13747 [1,1,0,0,0,0|0,0,2]=4 190 B6R0.6 O=CCCCCCl 27418 [1,1,0,0,0,0|0,0,2]=4 191 B8R0.5 CCN\C(C)=C\C(C)=O 12816 [0,2,0,0,0,0|1,0,0]=3 192 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.16 CO\C(C=O)=C/N(C)C 22794 [0,2,0,0,0,0|1,0,0]=3 196 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.9 CN(C)CCN(C)C=O 36059 [0,2,0,0,0,0|1,0,1]=4 199 B6R1.2 BrC1=CCCC1 29715 [1,0,0,1,0,0|1,0,0]=3 200 B6R1.2 CC1=CNC=C1 13921 [1,0,0,1,0,0|1,0,1]=4 201 B6R1.2 CC1=CNN=C1 13055 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.2 CC1=COC=C1 19993 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.2 CC1=CON=C1 24245 [1,0,0,1,0,0|2,0,0]=4 204 B6R1.2 CC1=CSC=C1 5565 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.2 CC1=NCCC1 9412 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.2 CC1=NCCN1 10179 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 NC1=NCCC1 32058 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 O=C1C=CCC1 9803 [1,0,0,1,0,0|0,0,1]=3 209 B6R1.2 O=C1C=CCN1 23871 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 O=C1CCCC1 30304 [1,0,0,1,0,0|0,0,1]=3 211 B6R1.2 O=C1CCCN1 19110 [1,0,0,1,0,0|1,0,0]=3 212 B6R1.2 O=C1CCNC1 21931 [1,0,0,1,0,0|1,0,1]=4 213 B6R1.2 O=C1CCOC1 15127 [1,0,0,1,0,0|1,0,1]=4 214 B6R1.2 O=C1CCSC1 5575 [1,0,0,1,0,0|1,0,1]=4 215 B6R1.2 O=C1CNCN1 23395 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.2 O=C1NCCO1 8624 [1,0,0,1,0,0|2,0,0]=4 217 B6R1.2 O=C1NCCS1 14582 [1,0,0,1,0,0|2,0,0]=4 218 B6R1.2 O=S1CCCC1 12544 [1,0,0,1,0,0|1,0,1]=4 219 B6R1.2 S=C1CCCN1 20272 [1,0,0,1,0,0|1,1,0]=4 220 B6R1.5 NC1CC(=O)C1 16442 [1,0,0,1,0,0|1,0,1]=4 221 B6R1.11 CC(=O)C1CC1 16205 [1,0,0,1,0,0|0,0,1]=3 222 B6R1.11 NC(=O)C1CC1 21401 [1,0,0,1,0,0|1,0,1]=4 223 B6R1.11 O=C(Cl)C1CC1 10555 [1,0,0,1,0,0|1,0,1]=4 224 B6R1.11 O=C(O)C1CC1 10557 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.1 C1=COCCC1 9508 [1,0,0,1,0,0|0,0,2]=4 226 B6R1.6 O=CC1CCC1 23840 [1,0,0,1,0,0|0,0,2]=4 227 B8R1.1 CC1=CC(C=O)=CS1 34688 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.1 CC1=CC(C=O)=NO1 11024 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.1 CC1=CC=C(C=O)O1 9971 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.1 CC1=CC=C(C=O)S1 5205 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.1 CC1=CC=C(CN)O1 6995 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.1 CC1=CC=C(CO)O1 9804 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.1 CC1=CSC(C=O)=N1 15253 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.1 CC1=NC(C=O)=CS1 15112 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.1 CC1=NNC(C=O)=C1 24109 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.1 CCC1=NC(C)=CN1 15974 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.1 CCC1=NC(C)=CS1 9939 [0,1,0,1,0,0|0,1,0]=3 238 B8R1.1 CCN1C=C[N+](C)=C1 44762 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.1 CC[N+]1=CN(C)C=C1 35227 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 CC[N+]1=CN(C)C=C1 35403 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.1 CN1C=C(C=O)C=N1 34544 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.1 CN1C=C(CO)C=N1 13305 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.4 CC1=CC(=O)NN=C1 11016 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.4 CC1=CC(C)=NC=C1 20508 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.4 CC1=CC(C)=NC=N1 21498 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.4 NC1=CC(=O)CCC1 14449 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.4 O=C1CCCC(=O)C1 11104 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.4 O=C1CCCC(=O)O1 36227 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.4 O=C1CCNC(=O)C1 22543 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.4 O=C1CCNC(=O)N1 35825 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.18 CC1=CC(=O)OC1=O 35240 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.18 CC1=NN(C)C(=O)C1 8412 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.18 CC1CC(=O)N(C)C1 24945 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.2 N#CC1=CCOCC1 32238 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.2 O=CC1CCCCC1 3082 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.2 O=CC1CCCCN1 18309 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.2 O=CC1CCCCN1 6773 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.2 O=CC1CCCOC1 23588 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.2 O=CC1CCNCC1 20422 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.2 O=CC1CCNCC1 6774 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.2 O=CC1CCOCC1 9736 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.2 O=CN1CCCCC1 7728 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.2 O=CN1CCNCC1 20982 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.2 O=CN1CCOCC1 15134 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.3 CC1=CN=C(C)C=C1 20994 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.3 CC1=CN=C(C)C=N1 8608 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.5 CC1CCCCC1=O 15725 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.5 CC1CNCCC1=O 15830 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.5 CN1CCNCC1=O 23102 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.5 O=C1CCCCC1=O 13287 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.50 CC1=C(O)C(=O)CO1 7034 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.50 CC1C(=O)CCC1=O 2206 [0,1,0,1,0,0|0,0,1]=3 273 B8R1.50 CC1CCN(C)C1=O 24944 [0,1,0,1,0,0|0,0,2]=4 274 B8R1.50 CN1CCC(Br)C1=O 35509 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.50 CN1CCN(C)C1=O 7604 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.50 NC1=C(O)COC1=O 35510 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.50 O=C1CCC(=O)N1Cl 13763 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.50 O=C1CCC(=O)N1I 12908 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.50 O=C1CCC(=O)N1O 10972 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.7 CC(=O)C1CCCC1 16480 [0,1,0,1,0,0|0,0,2]=4 281 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.7 O=C(Cl)C1CCCC1 13237 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.7 O=C(O)C1CCCC1 14153 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.7 O=C(O)C1CCCN1 20613 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.7 O=C(O)C1CCCO1 7088 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.7 OB(O)C1=CCCC1 27230 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.23 CC1CC(C(=O)O)C1 27314 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.54 CC(=O)C(=O)C1CC1 14769 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.11 CC1=C(C=O)SC=C1 5183 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.11 CC1=C(C=O)SC=C1 9495 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.11 CC1=C(CO)N=CN1 7608 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.11 CC1=C(CO)NC=N1 21058 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.11 CC1=NNC=C1C=O 16065 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.11 CN1C=CC=C1C=O 9617 [0,1,0,1,0,0|0,0,2]=4 300 B8R1.11 CN1C=NC=C1C=O 8047 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.11 CN1N=CC=C1C=O 16289 [0,1,0,1,0,0|1,0,1]=4