0 B5R0.5 C=C(C)B(O)O 29476 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 C=C(C)C(=C)C 36156 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 C=C(C)C(=O)Cl 45061 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 C=C(C)C(=O)[O-] 13118 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 C=C(C)C(=O)[O-] 13119 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 C=C(C)C(=O)[O-] 21062 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 C=C(C)C(=O)[O-] 21065 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(=O)C(=O)O 18177 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 CC(=O)C(C)Br 12679 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 CC(Br)C(=O)Cl 35707 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 CC(Br)C(C)Br 12534 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.5 CC(C)C(=O)Cl 18648 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 CC(C)C(C)O 32297 [0,0,0,0,0,0|1,0,3]=4 13 B5R0.5 CC(C)C(N)=O 21345 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CC(Cl)C(=O)O 5746 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 CC(F)C(=O)O 13698 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 CC(N)C(=O)O 11009 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 CC(O)C(=O)O 30331 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.5 CC(O)C(=O)[O-] 20459 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.5 CN(C)C(=N)N 19198 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.5 CN(C)C(=O)Cl 29326 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.5 CN(C)C(=S)Cl 35206 [0,0,0,0,0,0|3,1,0]=4 22 B5R0.5 C[C@@H](Br)C(=O)O 26125 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.5 C[C@@H](N)C(=O)O 11002 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.5 C[C@@H](N)C(N)=O 12667 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.5 C[C@@H](O)C(=O)O 16738 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.5 C[C@H](Br)C(=O)O 8278 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.5 C[C@H](N)C(=O)O 12862 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.5 C[C@H](N)C(N)=O 5715 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.5 C[C@H](O)C(=O)O 26021 [0,0,0,0,0,0|1,0,2]=3 31 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.5 NC(=O)C(N)=O 17273 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.5 NC(=S)C(N)=S 20269 [0,0,0,0,0,0|2,2,0]=4 34 B5R0.5 NC(=S)[NH2+](=O)[O-] 18093 [0,0,0,0,0,0|3,1,0]=4 35 B5R0.5 O=C(O)C(=O)O 17416 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.5 O=C(O)C(=O)O 22393 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.5 O=C(O)C(F)F 12637 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.5 O=C([O-])C(Cl)Cl 27176 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.5 [*]C(=O)[C@H](C)N 24898 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 C#CC(=O)O 23201 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 C#CC(C)=O 2024 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 C=C(C)CCl 20429 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 C=CC(=O)O 21090 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 C=CC(N)=O 14147 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 C=C[N+](=O)[O-] 14436 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(=O)CBr 24199 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CC(C)=CBr 29713 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CC=C(C)C 2026 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CCC(C)Br 3753 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 CCC(C)I 3940 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 CCC(C)O 6718 [1,0,0,0,0,0|0,0,3]=4 52 B4R0.1 CCC([NH-])=O 10938 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CCN(C)C 10322 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CCS(=O)[O-] 24643 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC[C@@H](C)N 6741 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 CC[C@@H](C)O 6717 [1,0,0,0,0,0|0,0,3]=4 57 B4R0.1 CC[C@H](C)N 6743 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 CN(C)C=O 23341 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CNC(C)C 10279 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 CNC(N)=S 35584 [1,0,0,0,0,0|2,1,0]=4 61 B4R0.1 COC(C)=N 2122 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 CSC(=N)N 20041 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 C\C(N)=N\O 31948 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C\C=C(/C)Br 29073 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 NC(=O)CBr 31995 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 NC(=O)CI 12542 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 NCC(=O)O 18924 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 NCC(=O)[O-] 26210 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 NCC(=O)[O-] 9921 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 NCC(N)=O 13019 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 NNC(N)=O 15701 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 O=C(Cl)CBr 24880 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 O=C(O)CBr 13144 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 O=CC(=O)O 19965 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.3 CC(C)C(=O)CBr 35792 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.3 CC(CN)C(=O)O 21922 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CC(CN)C(=O)O 30383 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 CCC(=O)C(=O)O 24837 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.3 CCC(=O)C(=O)[O-] 17406 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.3 CCC(Br)C(=O)O 14564 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CCC(N)C(=O)O 27168 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CCN(C)C(=O)Cl 16066 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 CC[C@@H](C)C(=O)O 32186 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CC[C@@H](N)C(=O)O 13431 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CC[C@@H](N)C(=O)O 15607 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CC[C@H](Br)C(=O)O 8279 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 CC[C@H](N)C(=O)O 16473 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CC[C@H](N)C(=O)O 16477 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 CC[C@H](N)C(N)=O 28166 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 CC[C@H](N)C(N)=O 5725 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 CC[C@H](O)C(=O)O 8265 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.3 CN(C)C(=O)CBr 35884 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CN(C)C(=O)CCl 35615 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 CN(C)C(=O)CN 22320 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 CN[C@@H](C)C(=O)O 24906 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 COC(=O)C(C)=O 35415 [0,1,0,0,0,0|0,0,0]=1 100 B6R0.3 COC(=O)C(C)N 10905 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 COC(=O)C(F)F 29091 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 COC(=O)[C@@H](C)N 10885 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.3 COC(=O)[C@@H](C)O 6056 [0,1,0,0,0,0|0,0,2]=3 104 B6R0.3 COC(=O)[C@H](C)Cl 6064 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.3 COC(=O)[C@H](C)N 10884 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.3 COC(=O)[C@H](C)O 12893 [0,1,0,0,0,0|0,0,2]=3 107 B6R0.3 CON(C)C(C)=O 12775 [0,1,0,0,0,0|1,0,1]=3 108 B6R0.3 C[C@H](CO)C(=O)O 14230 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.3 C\C=C(/C)C(=O)O 30426 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.3 NC(=O)[C@@H](N)CO 26034 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 NC(CO)C(=O)O 11003 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 NC(CS)C(=O)O 12372 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 NCC(N)C(=O)O 13822 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 NCC(O)C(=O)O 23947 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.3 NC[C@@H](N)C(=O)O 13823 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 NC[C@H](N)C(=O)O 13356 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 NC[C@H](N)C(=O)O 13818 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.3 NC[C@H](O)C(=O)O 26012 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.3 N[C@@H](CO)C(=O)O 10994 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 N[C@@H](CS)C(=O)O 19006 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 N[C@@H](CS)C(=O)O 19010 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 N[C@@H](CS)C(=O)O 23844 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 N[C@H](CO)C(=O)O 10704 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.3 N[C@H](CS)C(=O)O 12314 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 N[C@H](CS)C(=O)O 16838 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 N[C@H](CS)C(=O)O 23177 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 N[C@H](CS)C(=O)O 29024 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.7 CC(=O)C(C)(C)O 20018 [0,1,0,0,0,0|0,0,2]=3 129 B6R0.7 CC(C)(Br)C(=O)Br 18672 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.7 CC(C)(C)C(=O)O 16826 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.7 CC(C)(C)C(=O)[O-] 31972 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.7 CC(C)(N)C(=O)O 16474 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.7 CC(C)(N)C(N)=O 31964 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.7 CC(F)(F)C(=O)O 35923 [0,1,0,0,0,0|2,0,1]=4 135 B6R1.11 CC(=O)C1CC1 16205 [0,0,0,1,0,0|1,0,1]=3 136 B6R1.11 NC(=O)C1CC1 21401 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.11 O=C(Cl)C1CC1 10555 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.11 O=C(O)C1CC1 10557 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.11 O=C([O-])C1CO1 26336 [0,0,0,1,0,0|1,0,2]=4 140 B6R0.2 CC(=O)NC(=N)N 3986 [0,0,0,0,0,1|2,0,0]=3 141 B6R0.2 CC(=O)\C=C(/C)N 12810 [0,0,0,0,0,1|1,0,0]=2 142 B6R0.2 CC(C)=CC(=O)Cl 35639 [0,0,0,0,0,1|2,0,0]=3 143 B6R0.2 CC(C)=CC(=O)O 21295 [0,0,0,0,0,1|2,0,0]=3 144 B6R0.2 CC(Cl)OC(=O)Cl 17418 [0,0,0,0,0,1|2,0,1]=4 145 B6R0.2 CC(O)CC(=O)O 13860 [0,0,0,0,0,1|1,0,2]=4 146 B6R0.2 CN(C)CC(=O)O 21520 [0,0,0,0,0,1|3,0,0]=4 147 B6R0.2 C[C@@H](N)CC(=O)O 30087 [0,0,0,0,0,1|2,0,1]=4 148 B6R0.2 C[C@H](N)CC(=O)O 13856 [0,0,0,0,0,1|2,0,1]=4 149 B6R0.2 NC(=O)C[N+](=O)[O-] 33395 [0,0,0,0,0,1|3,0,0]=4 150 B6R0.2 O=C(O)CC(=O)O 35063 [0,0,0,0,0,1|2,0,0]=3 151 B6R0.2 O=C(O)C[N+](=O)[O-] 17232 [0,0,0,0,0,1|3,0,0]=4 152 B3R0.1 C=CC=O 23303 [2,0,0,0,0,0|0,0,1]=3 153 B3R0.1 CCNC 10275 [2,0,0,0,0,0|1,0,1]=4 154 B3R0.1 CNC=O 35283 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 CNOC 25934 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.1 CSSC 9665 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 NNC=O 32333 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.2 C=C(C)Br 27228 [2,0,0,0,0,0|1,0,0]=3 159 B3R0.2 CC(=O)Cl 17265 [2,0,0,0,0,0|1,0,0]=3 160 B3R0.2 CC(=O)O 22173 [2,0,0,0,0,0|0,0,1]=3 161 B3R0.2 CC(=O)[O-] 10966 [2,0,0,0,0,0|0,0,1]=3 162 B3R0.2 CC(=O)[O-] 18178 [2,0,0,0,0,0|0,0,1]=3 163 B3R0.2 CC(=O)[O-] 26340 [2,0,0,0,0,0|0,0,1]=3 164 B3R0.2 CC(=O)[O-] 3997 [2,0,0,0,0,0|0,0,1]=3 165 B3R0.2 CC(C)Br 18655 [2,0,0,0,0,0|1,0,1]=4 166 B3R0.2 CC(C)I 21400 [2,0,0,0,0,0|1,0,1]=4 167 B3R0.2 CC(O)=S 28961 [2,0,0,0,0,0|0,1,1]=4 168 B3R0.2 CC([O-])=S 25455 [2,0,0,0,0,0|0,1,1]=4 169 B3R0.2 CN(C)C 18299 [2,0,0,0,0,0|2,0,0]=4 170 B3R0.2 CP(C)C 20413 [2,0,0,0,0,0|2,0,0]=4 171 B3R0.2 CS(=O)[O-] 28957 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.2 CS(C)=O 44865 [2,0,0,0,0,0|1,0,0]=3 173 B3R0.2 C[PH](C)=O 29395 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.2 C[S+](C)C 44700 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.2 O=C([O-])O 23592 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.2 O=C([O-])[O-] 19981 [2,0,0,0,0,0|1,0,1]=4 177 B3R0.2 O=C([O-])[O-] 26167 [2,0,0,0,0,0|1,0,1]=4 178 B3R0.2 O=I(=O)[O-] 23596 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.2 O=I(=O)[O-] 35037 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.2 O=[Os](=O)=O 29022 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 CC#CC(=O)O 16226 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.1 CC(=O)NCO 11062 [1,1,0,0,0,0|1,0,0]=3 183 B5R0.1 CC(=O)\C=N\O 13359 [1,1,0,0,0,0|0,0,1]=3 184 B5R0.1 CC(=O)\C=N\O 31878 [1,1,0,0,0,0|0,0,1]=3 185 B5R0.1 CC(C)=CC=O 3075 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.1 CC(C)=CCBr 35170 [1,1,0,0,0,0|1,0,0]=3 187 B5R0.1 CCCC(=O)Cl 13241 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.1 CCOC(C)=N 2020 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 CCSC(C)=S 12459 [1,1,0,0,0,0|0,1,1]=4 190 B5R0.1 CN(C)CC=O 26115 [1,1,0,0,0,0|2,0,0]=4 191 B5R0.1 CNCC(=O)O 10995 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 NCCC(=O)O 10996 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 NCCC(N)=O 18936 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.1 O=C(Cl)CCBr 31904 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.1 O=C(Cl)CCCl 13691 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.1 O=C(O)CCCl 13689 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.1 O=C(O)CCO 12598 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.1 O=C(O)CCS 36422 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.1 O=C(O)\C=C\Cl 35750 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.1 O=C(O)\C=C\I 11671 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.3 C#CC(=O)OC 13736 [1,1,0,0,0,0|0,0,2]=4 202 B5R0.3 C=CC(=O)CBr 13741 [1,1,0,0,0,0|0,0,1]=3 203 B5R0.3 C=CC(=O)CO 32353 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.3 COC(=O)CN 10899 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.3 COC(=O)CS 10788 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.3 COC(=O)NN 17404 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.3 O=C(CO)CO 4053 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.3 O=CC(Cl)C=O 27131 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.3 O=CC(O)CO 13962 [1,1,0,0,0,0|0,0,2]=4 210 B5R0.3 O=C[C@@H](O)CO 6339 [1,1,0,0,0,0|0,0,2]=4 211 B5R0.3 O=C[C@@H](O)CO 6340 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.3 O=C[C@H](O)CO 6338 [1,1,0,0,0,0|0,0,2]=4 213 B5R0.4 CC(C)(C)C=O 1910 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.4 CNS(C)(=O)=O 23217 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.4 CSS(C)(=O)=O 14140 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.2 CC(C)NC(=O)CBr 17628 [0,1,0,0,0,1|1,0,1]=4 217 B7R0.2 CCC(=O)CC(C)=O 24813 [0,1,0,0,0,1|0,0,0]=2 218 B7R0.2 CC\C(C)=C\C(=O)O 13986 [0,1,0,0,0,1|2,0,0]=4 219 B7R0.2 CN\C(C)=C\C(C)=O 12814 [0,1,0,0,0,1|1,0,0]=3 220 B7R0.2 COC(=O)C=C(C)C 35911 [0,1,0,0,0,1|1,0,0]=3 221 B7R0.2 COC(=O)CC(C)=O 24182 [0,1,0,0,0,1|0,0,0]=2 222 B7R0.2 COC(=O)CC(N)=S 16742 [0,1,0,0,0,1|1,1,0]=4 223 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,1,0,0,0,1|0,0,2]=4 224 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,1,0,0,0,1|0,0,2]=4 225 B7R0.2 COC(=O)NC(N)=O 12458 [0,1,0,0,0,1|1,0,0]=3 226 B7R0.2 COC(=O)\C=C(/C)N 15699 [0,1,0,0,0,1|1,0,0]=3 227 B7R0.9 CC(=O)CC(C)(C)N 19406 [0,1,0,0,0,1|1,0,1]=4 228 B7R0.9 CS(=O)(=O)CC(=O)O 20136 [0,1,0,0,0,1|2,0,0]=4 229 B7R0.16 CC(=O)C(=O)C(C)Br 32080 [0,1,0,0,0,1|1,0,1]=4 230 B7R0.16 NC(=O)C(N)C(N)=O 24631 [0,1,0,0,0,1|2,0,0]=4 231 B7R0.16 O=C(O)C(O)C(=O)O 2066 [0,1,0,0,0,1|2,0,0]=4 232 B7R0.5 CCOC(=O)C(C)F 13697 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.5 CCOC(=O)C(C)N 10928 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.5 CCOC(=O)[C@H](C)N 12964 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.5 CCOC(=O)[C@H](C)O 26157 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.5 CCOC(=S)C(N)=O 24587 [0,2,0,0,0,0|1,1,0]=4 238 B7R0.10 C=C(CBr)C(=O)OC 17371 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.10 C=C(CCl)C(=O)OC 17372 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.10 C=C(CO)C(=O)OC 17373 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.10 CCC(Br)C(=O)OC 20191 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.10 COC(=O)C(Cl)CCl 24797 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.10 COC(=O)C(N)CO 10908 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.10 COC(=O)C(O)OC 17980 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.10 COC(=O)[C@@H](N)CO 10895 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.10 COC(=O)[C@@H](N)CS 10881 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.10 COC(=O)[C@H](N)CO 10896 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.10 CON(C)C(=O)CCl 18657 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.10 OC\C(Br)=C(/Br)CO 22015 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.14 COC(=O)C(C)(C)F 28958 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.14 COC(=O)C(C)(C)N 16472 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.14 COC(=O)C(C)(C)O 18589 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.15 COC(OC)C(C)=O 9977 [0,2,0,0,0,0|0,0,2]=4 255 B5R1.2 O=C1CCC1 9021 [1,0,0,1,0,0|0,0,1]=3 256 B5R1.2 O=C1CCO1 2546 [1,0,0,1,0,0|1,0,0]=3 257 B5R1.2 O=C1COC1 15880 [1,0,0,1,0,0|0,0,2]=4 258 B5R1.2 O=C1CSC1 25389 [1,0,0,1,0,0|0,1,1]=4 259 B5R1.3 O=CC1CC1 12460 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.2 CC1=CC(=O)CC1 25608 [0,0,0,1,0,1|1,0,0]=3 261 B7R1.2 CC1=CC(C)=NN1 13256 [0,0,0,1,0,1|2,0,0]=4 262 B7R1.2 CC1=CC(C)=NO1 8641 [0,0,0,1,0,1|1,0,1]=4 263 B7R1.2 CC1=CC=C(C)S1 5194 [0,0,0,1,0,1|2,0,0]=4 264 B7R1.2 CC1=CCC(=O)O1 16859 [0,0,0,1,0,1|1,0,0]=3 265 B7R1.2 CC1=CNC(C)=C1 24003 [0,0,0,1,0,1|2,0,0]=4 266 B7R1.2 CC1=CNC(C)=N1 18587 [0,0,0,1,0,1|2,0,0]=4 267 B7R1.2 CC1=COC(C)=N1 8635 [0,0,0,1,0,1|1,0,1]=4 268 B7R1.2 CC1=CSC(C)=N1 9937 [0,0,0,1,0,1|1,1,0]=4 269 B7R1.2 CC1=NN=C(C)S1 23972 [0,0,0,1,0,1|2,0,0]=4 270 B7R1.2 CC1=NOC(=O)N1 22560 [0,0,0,1,0,1|2,0,0]=4 271 B7R1.2 CN1CCC(=O)C1 20342 [0,0,0,1,0,1|2,0,0]=4 272 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [0,0,0,1,0,1|1,0,1]=4 273 B7R1.2 O=C1C=C(O)CO1 21770 [0,0,0,1,0,1|1,0,1]=4 274 B7R1.2 O=C1C=CC(=O)O1 16845 [0,0,0,1,0,1|0,0,2]=4 275 B7R1.2 O=C1CCC(=O)N1 13765 [0,0,0,1,0,1|0,0,0]=2 276 B7R1.2 O=C1CCC(=O)O1 21337 [0,0,0,1,0,1|0,0,0]=2 277 B7R1.2 O=C1CSC(=O)N1 17487 [0,0,0,1,0,1|1,0,0]=3 278 B7R1.2 O=C1CSC(=S)N1 15741 [0,0,0,1,0,1|1,1,0]=4 279 B7R1.4 BrC1=C(Br)CCC1 13714 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.4 CC1=C(C)NC=N1 18123 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.4 CC1=C(C)NC=N1 8044 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.4 CC1=C(C)SC=C1 7751 [0,1,0,1,0,0|1,1,0]=4 283 B7R1.4 CC1=C(C)SC=N1 9938 [0,1,0,1,0,0|1,1,0]=4 284 B7R1.4 CC1=CNN=C1C 36259 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.4 CC1=COC=C1C 15014 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.4 CC1CCNC1=O 18075 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.4 CC1OCCC1=O 7120 [0,1,0,1,0,0|0,0,2]=4 288 B7R1.4 CN1CCCC1=O 17618 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.4 NC1CCOC1=O 6982 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.4 NC1CCSC1=O 26584 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.4 NN1CCCC1=O 26204 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.4 N[C@@H]1CCNC1=O 24096 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.4 N[C@@H]1CCOC1=O 14743 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.4 N[C@H]1CCOC1=O 13830 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.4 O=C1NCC[C@@H]1O 26213 [0,1,0,1,0,0|0,0,2]=4 296 B7R1.4 O=C1OCCC1Br 10714 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.22 COC(=O)C1CC1 11835 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.22 COC(=O)C1CO1 35239 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.22 COC(=O)[C@H]1CO1 36331 [0,1,0,1,0,0|0,0,2]=4 300 B7R1.22 O=C(CBr)C1CC1 21100 [0,1,0,1,0,0|1,0,1]=4 301 B7R0.6 C=C(C)CCC(C)=O 25282 [0,0,0,0,0,2|1,0,0]=3 302 B7R0.6 CC(=O)CCC(=O)O 11206 [0,0,0,0,0,2|1,0,0]=3 303 B7R0.6 CC(=O)CNC(C)=O 16497 [0,0,0,0,0,2|0,0,0]=2 304 B7R0.6 CC(=O)NCC(=O)O 8849 [0,0,0,0,0,2|1,0,0]=3 305 B7R0.6 CC(=O)NNC(C)=O 23969 [0,0,0,0,0,2|0,0,0]=2 306 B7R0.6 CC(=O)OCC(=O)Cl 20920 [0,0,0,0,0,2|1,0,0]=3 307 B7R0.6 O=C(Cl)\C=C\C(=O)Cl 1930 [0,0,0,0,0,2|2,0,0]=4 308 B7R0.6 O=C(O)C#CC(=O)O 13735 [0,0,0,0,0,2|2,0,0]=4 309 B7R0.6 O=C(O)\C=C\C(=O)O 21784 [0,0,0,0,0,2|2,0,0]=4