0 B3R0.2 C=C(C)Br 28419 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 C=[N+](C)C D89898 [0,0,0,0,0,0|0,0,2]=2 2 B3R0.2 CB(O)O 26076 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 CC(=O)O 29388 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CC(=O)O C90337 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 CC(=O)S D92569 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 CC(=O)[O-] 35848 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 CC(=O)[O-] AC2542 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.2 CC(=O)[O-] AC2625 [0,0,0,0,0,0|3,0,0]=3 9 B3R0.2 CC(=O)[O-] D70070 [0,0,0,0,0,0|3,0,0]=3 10 B3R0.2 CC(=O)[O-] D74466 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 CC(=O)[O-] D74596 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.2 CC(=O)[O-] D77673 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.2 CC(=O)[O-] D77909 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.2 CC(=O)[O-] D78215 [0,0,0,0,0,0|3,0,0]=3 15 B3R0.2 CC(=O)[O-] D78216 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.2 CC(=O)[O-] D81958 [0,0,0,0,0,0|3,0,0]=3 17 B3R0.2 CC(=O)[O-] D84280 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.2 CC(=O)[O-] D88447 [0,0,0,0,0,0|3,0,0]=3 19 B3R0.2 CC(=O)[O-] D91230 [0,0,0,0,0,0|3,0,0]=3 20 B3R0.2 CC(=O)[O-] D95368 [0,0,0,0,0,0|3,0,0]=3 21 B3R0.2 CC(=O)[O-] D95676 [0,0,0,0,0,0|3,0,0]=3 22 B3R0.2 CC(=O)[O-] D95836 [0,0,0,0,0,0|3,0,0]=3 23 B3R0.2 CC(=O)[O-] D95949 [0,0,0,0,0,0|3,0,0]=3 24 B3R0.2 CC(=O)[O-] D95967 [0,0,0,0,0,0|3,0,0]=3 25 B3R0.2 CC(=O)[O-] D95970 [0,0,0,0,0,0|3,0,0]=3 26 B3R0.2 CC(=O)[O-] D97851 [0,0,0,0,0,0|3,0,0]=3 27 B3R0.2 CC(=O)[O-] E70002 [0,0,0,0,0,0|3,0,0]=3 28 B3R0.2 CC(=O)[O-] H10718 [0,0,0,0,0,0|3,0,0]=3 29 B3R0.2 CC(C)Br D87619 [0,0,0,0,0,0|2,0,0]=2 30 B3R0.2 CC(C)N A10746 [0,0,0,0,0,0|2,0,0]=2 31 B3R0.2 CC(C)[O-] T72011 [0,0,0,0,0,0|2,0,0]=2 32 B3R0.2 CC(N)=S D70870 [0,0,0,0,0,0|3,0,0]=3 33 B3R0.2 CN(C)C F19571 [0,0,0,0,0,0|0,0,0]=0 34 B3R0.2 CN(C)N H10568 [0,0,0,0,0,0|1,0,0]=1 35 B3R0.2 CP(C)C D81836 [0,0,0,0,0,0|0,1,0]=1 36 B3R0.2 CP(C)C F20488 [0,0,0,0,0,0|0,1,0]=1 37 B3R0.2 C[PH](C)=O 20677 [0,0,0,0,0,0|1,1,0]=2 38 B3R0.2 C[S+](C)Br D89000 [0,0,0,0,0,0|2,0,0]=2 39 B3R0.2 C[S+](C)C 11523 [0,0,0,0,0,0|1,0,0]=1 40 B3R0.2 C[S@](=O)[O-] 35930 [0,0,0,0,0,0|3,0,0]=3 41 B3R0.2 ClC(Br)Br D89312 [0,0,0,0,0,0|4,0,0]=4 42 B3R0.2 ClC(Cl)Br F17746 [0,0,0,0,0,0|4,0,0]=4 43 B3R0.2 FB(F)F D90502 [0,0,0,0,0,0|4,0,0]=4 44 B3R0.2 FC(Br)Br FD2037 [0,0,0,0,0,0|4,0,0]=4 45 B3R0.2 IC(I)I S12111 [0,0,0,0,0,0|4,0,0]=4 46 B3R0.2 N=C(N)Cl 43148 [0,0,0,0,0,0|4,0,0]=4 47 B3R0.2 N=C(N)N AT23545 [0,0,0,0,0,0|4,0,0]=4 48 B3R0.2 NC(=S)S 74779 [0,0,0,0,0,0|4,0,0]=4 49 B3R0.2 NC(N)=O D70446 [0,0,0,0,0,0|4,0,0]=4 50 B3R0.2 O=C(O)O D78214 [0,0,0,0,0,0|4,0,0]=4 51 B3R0.2 O=C([O-])[O-] 29292 [0,0,0,0,0,0|4,0,0]=4 52 B3R0.2 O=C([O-])[O-] AC2635 [0,0,0,0,0,0|4,0,0]=4 53 B3R0.2 O=C([O-])[O-] D95733 [0,0,0,0,0,0|4,0,0]=4 54 B3R0.2 O=C([O-])[O-] H12045 [0,0,0,0,0,0|4,0,0]=4 55 B3R0.2 O=[N+]([O-])[O-] AC2340 [0,0,0,0,0,0|3,0,1]=4 56 B3R0.2 O=[N+]([O-])[O-] D78339 [0,0,0,0,0,0|3,0,1]=4 57 B3R0.2 O=[N+]([O-])[O-] D95172 [0,0,0,0,0,0|3,0,1]=4 58 B3R0.2 O=[N+]([O-])[O-] D95621 [0,0,0,0,0,0|3,0,1]=4 59 B3R0.2 O=[N+]([O-])[O-] D95671 [0,0,0,0,0,0|3,0,1]=4 60 B3R0.2 O=[N+]([O-])[O-] D95736 [0,0,0,0,0,0|3,0,1]=4 61 B3R0.2 O=[N+]([O-])[O-] D95950 [0,0,0,0,0,0|3,0,1]=4 62 B3R0.2 O=[N+]([O-])[O-] D95955 [0,0,0,0,0,0|3,0,1]=4 63 B3R0.2 O=[N+]([O-])[O-] D95968 [0,0,0,0,0,0|3,0,1]=4 64 B3R0.2 O=[N+]([O-])[O-] S10441 [0,0,0,0,0,0|3,0,1]=4 65 B3R0.2 O=[V](=O)[O-] D78051 [0,0,0,0,0,0|4,0,0]=4 66 B3R0.2 OP(O)O F20662 [0,0,0,0,0,0|3,1,0]=4 67 B3R0.2 [O-]P([O-])O AT25587 [0,0,0,0,0,0|3,1,0]=4 68 B2R0.1 BrBBr A50014 [1,0,0,0,0,0|3,0,0]=4 69 B2R0.1 BrCI S11031 [1,0,0,0,0,0|3,0,0]=4 70 B2R0.1 C=NO 28803 [1,0,0,0,0,0|1,0,2]=4 71 B2R0.1 CC#N 34239 [1,0,0,0,0,0|2,0,0]=3 72 B2R0.1 CC=O D78540 [1,0,0,0,0,0|2,0,0]=3 73 B2R0.1 CC[O-] D78336 [1,0,0,0,0,0|2,0,0]=3 74 B2R0.1 CC[S-] H10136 [1,0,0,0,0,0|2,0,0]=3 75 B2R0.1 CNO 77593 [1,0,0,0,0,0|1,0,0]=2 76 B2R0.1 CON C93493 [1,0,0,0,0,0|2,0,0]=3 77 B2R0.1 C[SnH4+2]C D90313 [1,0,0,0,0,0|1,0,0]=2 78 B2R0.1 C[SnH4+2]C H11302 [1,0,0,0,0,0|1,0,0]=2 79 B2R0.1 ClCI D78022 [1,0,0,0,0,0|3,0,0]=4 80 B2R0.1 N#C[O-] D78243 [1,0,0,0,0,0|3,0,0]=4 81 B2R0.1 N#C[O-] D78265 [1,0,0,0,0,0|3,0,0]=4 82 B2R0.1 N#C[Se-] D94776 [1,0,0,0,0,0|3,0,0]=4 83 B2R0.1 N=CN 78939 [1,0,0,0,0,0|3,0,0]=4 84 B2R0.1 O=CO 43929 [1,0,0,0,0,0|3,0,0]=4 85 B2R0.1 O=CO D78097 [1,0,0,0,0,0|3,0,0]=4 86 B2R0.1 O=C[O-] D95946 [1,0,0,0,0,0|3,0,0]=4 87 B2R0.1 O=N[O-] D95565 [1,0,0,0,0,0|2,0,1]=4 88 B2R0.1 O=[13CH][O-] 41420 [1,0,0,0,0,0|3,0,0]=4 89 B2R0.1 O=[Ge]=O F20443 [1,0,0,0,0,0|3,0,0]=4 90 B2R0.1 O=[Si]=O C13405 [1,0,0,0,0,0|3,0,0]=4 91 B2R0.1 O=[Si]=O D78143 [1,0,0,0,0,0|3,0,0]=4 92 B2R0.1 O=[Te]=O D92683 [1,0,0,0,0,0|3,0,0]=4 93 B2R0.1 OPO AB10327 [1,0,0,0,0,0|2,1,0]=4 94 B2R0.1 [2H]OC D95537 [1,0,0,0,0,0|2,0,0]=3 95 B2R0.1 [2H]O[2H] H11944 [1,0,0,0,0,0|3,0,0]=4 96 B2R0.1 [BH3-]C#N D77968 [1,0,0,0,0,0|3,0,0]=4 97 B2R0.1 [NH3][Pd+2][NH3] D81862 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 C#CC(C)=O F52495 [0,1,0,0,0,0|2,0,1]=4 99 B4R0.1 C#CC(C)C 22832 [0,1,0,0,0,0|1,0,1]=3 100 B4R0.1 C#C[C@H](C)N P17981 [0,1,0,0,0,0|2,0,1]=4 101 B4R0.1 C#C[C@H](C)O 55689 [0,1,0,0,0,0|2,0,1]=4 102 B4R0.1 C#C[C@H](C)O F17654 [0,1,0,0,0,0|2,0,1]=4 103 B4R0.1 C=C(Br)CBr F15445 [0,1,0,0,0,0|2,0,1]=4 104 B4R0.1 C=C(Br)CO D84296 [0,1,0,0,0,0|2,0,1]=4 105 B4R0.1 C=C(C)C=O H10713 [0,1,0,0,0,0|1,0,2]=4 106 B4R0.1 C=C(C)CBr 29319 [0,1,0,0,0,0|1,0,1]=3 107 B4R0.1 C=C(C)CN 29496 [0,1,0,0,0,0|1,0,1]=3 108 B4R0.1 C=C(C)CO H10780 [0,1,0,0,0,0|1,0,1]=3 109 B4R0.1 C=C(Cl)CCl D97733 [0,1,0,0,0,0|2,0,1]=4 110 B4R0.1 C=C[C@H](C)O W13854 [0,1,0,0,0,0|2,0,1]=4 111 B4R0.1 C=NN(C)C T72047 [0,1,0,0,0,0|0,0,1]=2 112 B4R0.1 CC(=N)NO 74820 [0,1,0,0,0,0|3,0,0]=4 113 B4R0.1 CC(=O)CBr 76485 [0,1,0,0,0,0|2,0,0]=3 114 B4R0.1 CC(=O)CN 24448 [0,1,0,0,0,0|2,0,0]=3 115 B4R0.1 CC(=O)NBr 70825 [0,1,0,0,0,0|3,0,0]=4 116 B4R0.1 CC(=O)NN AB6005 [0,1,0,0,0,0|3,0,0]=4 117 B4R0.1 CC(=O)NO 78370 [0,1,0,0,0,0|3,0,0]=4 118 B4R0.1 CC(C)=CBr 29237 [0,1,0,0,0,0|1,0,1]=3 119 B4R0.1 CC(C)=NO D70154 [0,1,0,0,0,0|2,0,0]=3 120 B4R0.1 CC(C)CN D70621 [0,1,0,0,0,0|1,0,0]=2 121 B4R0.1 CC(C)NN 35766 [0,1,0,0,0,0|2,0,0]=3 122 B4R0.1 CC(C)NN C10400 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.1 CC(C)NO 77595 [0,1,0,0,0,0|2,0,0]=3 124 B4R0.1 CC(C)ON 77602 [0,1,0,0,0,0|2,0,0]=3 125 B4R0.1 CCB(O)O 33051 [0,1,0,0,0,0|3,0,0]=4 126 B4R0.1 CCC(=N)N 65202 [0,1,0,0,0,0|3,0,0]=4 127 B4R0.1 CCC(N)=O O12053 [0,1,0,0,0,0|3,0,0]=4 128 B4R0.1 CCC(N)=S AT14776 [0,1,0,0,0,0|3,0,0]=4 129 B4R0.1 CC[C@H](C)O 70716 [0,1,0,0,0,0|2,0,0]=3 130 B4R0.1 CC[C@H](C)O 70832 [0,1,0,0,0,0|2,0,0]=3 131 B4R0.1 CC[S@](=O)[O-] F16489 [0,1,0,0,0,0|3,0,0]=4 132 B4R0.1 CN(C)C=S 70822 [0,1,0,0,0,0|0,0,1]=2 133 B4R0.1 CN(C)N=O AT21751 [0,1,0,0,0,0|1,0,0]=2 134 B4R0.1 CN=C(N)N D91522 [0,1,0,0,0,0|3,0,0]=4 135 B4R0.1 CNC(=N)N P16886 [0,1,0,0,0,0|3,0,0]=4 136 B4R0.1 CNC(=O)Cl D81983 [0,1,0,0,0,0|3,0,0]=4 137 B4R0.1 CNC(C)C 39417 [0,1,0,0,0,0|1,0,0]=2 138 B4R0.1 CNC(N)=O AC8061 [0,1,0,0,0,0|3,0,0]=4 139 B4R0.1 CNN(C)C 66800 [0,1,0,0,0,0|0,0,0]=1 140 B4R0.1 COC(=N)N F11253 [0,1,0,0,0,0|3,0,0]=4 141 B4R0.1 COC(=N)N F14927 [0,1,0,0,0,0|3,0,0]=4 142 B4R0.1 COC(=N)N I11503 [0,1,0,0,0,0|3,0,0]=4 143 B4R0.1 COC(Cl)Cl D87753 [0,1,0,0,0,0|3,0,0]=4 144 B4R0.1 COC(N)=O D86342 [0,1,0,0,0,0|3,0,0]=4 145 B4R0.1 COP(Cl)Cl D91399 [0,1,0,0,0,0|2,1,0]=4 146 B4R0.1 CSC(=N)N 20543 [0,1,0,0,0,0|3,0,0]=4 147 B4R0.1 CSC(=N)N E70432 [0,1,0,0,0,0|3,0,0]=4 148 B4R0.1 CSC(C)=O D82067 [0,1,0,0,0,0|2,0,0]=3 149 B4R0.1 C[C@H](Br)C#N S12043 [0,1,0,0,0,0|2,0,1]=4 150 B4R0.1 C[C@H](Cl)CO H11590 [0,1,0,0,0,0|2,0,0]=3 151 B4R0.1 C[C@H](Cl)CO O10168 [0,1,0,0,0,0|2,0,0]=3 152 B4R0.1 C[C@H](N)CN 35106 [0,1,0,0,0,0|2,0,0]=3 153 B4R0.1 C[C@H](N)CN P20461 [0,1,0,0,0,0|2,0,0]=3 154 B4R0.1 C[C@H](N)CO 28476 [0,1,0,0,0,0|2,0,0]=3 155 B4R0.1 C[C@H](N)CO 29970 [0,1,0,0,0,0|2,0,0]=3 156 B4R0.1 C[C@H](N)CO 29971 [0,1,0,0,0,0|2,0,0]=3 157 B4R0.1 C[C@H](O)CCl C10666 [0,1,0,0,0,0|2,0,0]=3 158 B4R0.1 C[C@H](O)CCl D87799 [0,1,0,0,0,0|2,0,0]=3 159 B4R0.1 C[C@H](O)CCl H11611 [0,1,0,0,0,0|2,0,0]=3 160 B4R0.1 C[C@H](O)CN 86259 [0,1,0,0,0,0|2,0,0]=3 161 B4R0.1 C[C@H](O)CN 86301 [0,1,0,0,0,0|2,0,0]=3 162 B4R0.1 C[C@H](O)CN A10592 [0,1,0,0,0,0|2,0,0]=3 163 B4R0.1 C[C@H](O)CO A11633 [0,1,0,0,0,0|2,0,0]=3 164 B4R0.1 C[C@H](O)CO A11634 [0,1,0,0,0,0|2,0,0]=3 165 B4R0.1 C[N+](C)=CCl D89427 [0,1,0,0,0,0|0,0,2]=3 166 B4R0.1 C\C(N)=N\O 35620 [0,1,0,0,0,0|3,0,0]=4 167 B4R0.1 FC(F)CI 30620 [0,1,0,0,0,0|3,0,0]=4 168 B4R0.1 N=C(N)CCl F11896 [0,1,0,0,0,0|3,0,0]=4 169 B4R0.1 N=C(N)CN 20106 [0,1,0,0,0,0|3,0,0]=4 170 B4R0.1 N=C(N)CO C10100 [0,1,0,0,0,0|3,0,0]=4 171 B4R0.1 NC(=O)CBr 35276 [0,1,0,0,0,0|3,0,0]=4 172 B4R0.1 NC(=O)CI 25452 [0,1,0,0,0,0|3,0,0]=4 173 B4R0.1 NC(=O)CO D77798 [0,1,0,0,0,0|3,0,0]=4 174 B4R0.1 NCC(=O)O D70890 [0,1,0,0,0,0|3,0,0]=4 175 B4R0.1 NCC(=O)O F21278 [0,1,0,0,0,0|3,0,0]=4 176 B4R0.1 NCC(=O)[O-] D70403 [0,1,0,0,0,0|3,0,0]=4 177 B4R0.1 NCC(=O)[O-] D77927 [0,1,0,0,0,0|3,0,0]=4 178 B4R0.1 NCC(=O)[O-] D84274 [0,1,0,0,0,0|3,0,0]=4 179 B4R0.1 NCC(=O)[O-] D95398 [0,1,0,0,0,0|3,0,0]=4 180 B4R0.1 NCC(F)F O10557 [0,1,0,0,0,0|3,0,0]=4 181 B4R0.1 NCC(N)=O 20652 [0,1,0,0,0,0|3,0,0]=4 182 B4R0.1 NCC(N)=O 58529 [0,1,0,0,0,0|3,0,0]=4 183 B4R0.1 O=C(Cl)CBr D87897 [0,1,0,0,0,0|3,0,0]=4 184 B4R0.1 O=C(O)CO D78078 [0,1,0,0,0,0|3,0,0]=4 185 B4R0.1 O=[N+]([O-])CBr 76484 [0,1,0,0,0,0|2,0,1]=4 186 B4R0.1 OCC(F)F FD2062 [0,1,0,0,0,0|3,0,0]=4 187 B4R0.3 CC(C)(C)I D88747 [0,1,0,0,0,0|1,0,0]=2 188 B4R0.3 CC(C)(C)N D83855 [0,1,0,0,0,0|1,0,0]=2 189 B4R0.3 CC(C)(C)N D89117 [0,1,0,0,0,0|1,0,0]=2 190 B4R0.3 CC(C)(C)N F14004 [0,1,0,0,0,0|1,0,0]=2 191 B4R0.3 CC(C)(C)[O-] D78008 [0,1,0,0,0,0|1,0,0]=2 192 B4R0.3 CC(C)(C)[O-] D78330 [0,1,0,0,0,0|1,0,0]=2 193 B4R0.3 CC(C)(C)[O-] D88327 [0,1,0,0,0,0|1,0,0]=2 194 B4R0.3 CP(=O)(O)O D95909 [0,1,0,0,0,0|2,1,0]=4 195 B4R0.3 CS(=O)(=O)O AT25153 [0,1,0,0,0,0|3,0,0]=4 196 B4R0.3 CS(=O)(=O)[O-] A11504 [0,1,0,0,0,0|3,0,0]=4 197 B4R0.3 CS(=O)(=O)[O-] D82065 [0,1,0,0,0,0|3,0,0]=4 198 B4R0.3 CS(=O)(=O)[O-] E70319 [0,1,0,0,0,0|3,0,0]=4 199 B4R0.3 CS(=O)(=O)[S-] W18874 [0,1,0,0,0,0|3,0,0]=4 200 B4R0.3 CS(C)(=N)=O F31251 [0,1,0,0,0,0|2,0,0]=3 201 B4R0.3 CS(C)(=O)=O D70240 [0,1,0,0,0,0|2,0,0]=3 202 B4R0.3 CS(N)(=O)=O AC7862 [0,1,0,0,0,0|3,0,0]=4 203 B4R0.3 C[B-](F)(F)F 29656 [0,1,0,0,0,0|3,0,0]=4 204 B4R0.3 C[N+](C)(C)C A10946 [0,1,0,0,0,0|0,0,1]=2 205 B4R0.3 C[N+](C)(C)C AC7796 [0,1,0,0,0,0|0,0,1]=2 206 B4R0.3 C[N+](C)(C)C AT22119 [0,1,0,0,0,0|0,0,1]=2 207 B4R0.3 C[N+](C)(C)C D77756 [0,1,0,0,0,0|0,0,1]=2 208 B4R0.3 C[N+](C)(C)C D78250 [0,1,0,0,0,0|0,0,1]=2 209 B4R0.3 C[N+](C)(C)C D95388 [0,1,0,0,0,0|0,0,1]=2 210 B4R0.3 C[N+](C)(C)C D95778 [0,1,0,0,0,0|0,0,1]=2 211 B4R0.3 C[N+](C)(C)C FD10633 [0,1,0,0,0,0|0,0,1]=2 212 B4R0.3 C[N+](C)(C)C H10703 [0,1,0,0,0,0|0,0,1]=2 213 B4R0.3 C[N+](C)(C)C H10935 [0,1,0,0,0,0|0,0,1]=2 214 B4R0.3 C[N+](C)(C)C O12146 [0,1,0,0,0,0|0,0,1]=2 215 B4R0.3 C[N+](C)(C)[O-] D70574 [0,1,0,0,0,0|0,0,1]=2 216 B4R0.3 C[S+](C)(C)=O A11312 [0,1,0,0,0,0|1,0,0]=2 217 B4R0.3 C[S+](C)(C)=O AC7850 [0,1,0,0,0,0|1,0,0]=2 218 B4R0.3 C[S+](C)(C)=O AC8170 [0,1,0,0,0,0|1,0,0]=2 219 B4R0.3 C[Si](C)(C)Br D88750 [0,1,0,0,0,0|1,0,0]=2 220 B4R0.3 C[Si](C)(C)I F15417 [0,1,0,0,0,0|1,0,0]=2 221 B4R0.3 C[Si](C)(C)[O-] 76749 [0,1,0,0,0,0|1,0,0]=2 222 B4R0.3 C[Si](C)(C)[O-] D86377 [0,1,0,0,0,0|1,0,0]=2 223 B4R0.3 C[Sn](C)(C)C D95827 [0,1,0,0,0,0|1,0,0]=2 224 B4R1.2 BrC1CC1 55622 [0,0,0,1,0,0|2,0,0]=3 225 B4R1.2 C[C@H]1CS1 D91944 [0,0,0,1,0,0|2,0,0]=3 226 B4R1.2 NC1CC1 P19977 [0,0,0,1,0,0|2,0,0]=3 227 B4R1.2 OC1CC1 87295 [0,0,0,1,0,0|2,0,0]=3 228 B1R0.1 CN N12122 [2,0,0,0,0,0|0,0,0]=2 229 B1R0.1 C[O-] S11669 [2,0,0,0,0,0|1,0,0]=3 230 B1R0.1 NN D78079 [2,0,0,0,0,0|1,0,0]=3 231 B1R0.1 NO D78016 [2,0,0,0,0,0|1,0,0]=3 232 B1R0.1 [C-]#N D78338 [2,0,0,0,0,0|0,0,2]=4 233 B1R0.1 [C-]#[O+] D80405 [2,0,0,0,0,0|1,0,1]=4 234 B1R0.1 [C-]#[O+] D81839 [2,0,0,0,0,0|1,0,1]=4 235 B1R0.1 [C-]#[O+] D90157 [2,0,0,0,0,0|1,0,1]=4 236 B1R0.1 [C-]#[O+] D94507 [2,0,0,0,0,0|1,0,1]=4 237 B1R0.1 [C-]#[O+] D94520 [2,0,0,0,0,0|1,0,1]=4 238 B1R0.1 [C-]#[O+] D94891 [2,0,0,0,0,0|1,0,1]=4 239 B1R0.1 [C-]#[O+] D95847 [2,0,0,0,0,0|1,0,1]=4 240 B1R0.1 [C-]#[O+] D95860 [2,0,0,0,0,0|1,0,1]=4 241 B3R0.1 C#CCBr 28449 [1,1,0,0,0,0|1,0,1]=4 242 B3R0.1 C#CCN 65315 [1,1,0,0,0,0|1,0,1]=4 243 B3R0.1 C#CCN RB8001 [1,1,0,0,0,0|1,0,1]=4 244 B3R0.1 C=CCC F17161 [1,1,0,0,0,0|1,0,1]=4 245 B3R0.1 C=CCI D78530 [1,1,0,0,0,0|1,0,1]=4 246 B3R0.1 C=CC[Pd+] F10003 [1,1,0,0,0,0|1,0,1]=4 247 B3R0.1 CCCN D74104 [1,1,0,0,0,0|1,0,0]=3 248 B3R0.1 CCCN D80322 [1,1,0,0,0,0|1,0,0]=3 249 B3R0.1 CCNC 28743 [1,1,0,0,0,0|0,0,0]=2 250 B3R0.1 CCNC D78313 [1,1,0,0,0,0|0,0,0]=2 251 B3R0.1 CCNN D93746 [1,1,0,0,0,0|1,0,0]=3 252 B3R0.1 CCNO 77594 [1,1,0,0,0,0|1,0,0]=3 253 B3R0.1 CCON 35725 [1,1,0,0,0,0|2,0,0]=4 254 B3R0.1 CCSC D90442 [1,1,0,0,0,0|1,0,0]=3 255 B3R0.1 CNNC F14608 [1,1,0,0,0,0|0,0,0]=2 256 B3R0.1 CNOC 60204 [1,1,0,0,0,0|0,0,0]=2 257 B3R0.1 COCBr D78328 [1,1,0,0,0,0|1,0,0]=3 258 B3R0.1 CSCCl F20413 [1,1,0,0,0,0|1,0,0]=3 259 B3R0.1 C\C=N\O F13401 [1,1,0,0,0,0|1,0,1]=4 260 B3R0.1 ClCCBr D95298 [1,1,0,0,0,0|2,0,0]=4 261 B3R0.1 FCCI 29129 [1,1,0,0,0,0|2,0,0]=4 262 B3R0.1 ICCI D70963 [1,1,0,0,0,0|2,0,0]=4 263 B3R0.1 N#CCBr D88745 [1,1,0,0,0,0|2,0,0]=4 264 B3R0.1 N#CCF P18220 [1,1,0,0,0,0|2,0,0]=4 265 B3R0.1 N#CCI C10929 [1,1,0,0,0,0|2,0,0]=4 266 B3R0.1 N#CCN 28451 [1,1,0,0,0,0|2,0,0]=4 267 B3R0.1 NCCBr 12331 [1,1,0,0,0,0|2,0,0]=4 268 B3R0.1 NCCCl D70641 [1,1,0,0,0,0|2,0,0]=4 269 B3R0.1 NCCF 22877 [1,1,0,0,0,0|2,0,0]=4 270 B3R0.1 NCCN T72638 [1,1,0,0,0,0|2,0,0]=4 271 B3R0.1 NCCO F17546 [1,1,0,0,0,0|2,0,0]=4 272 B3R0.1 NCCO P20022 [1,1,0,0,0,0|2,0,0]=4 273 B3R0.1 NCCS D70222 [1,1,0,0,0,0|2,0,0]=4 274 B3R0.1 NCCS D88299 [1,1,0,0,0,0|2,0,0]=4 275 B3R0.1 NNC=O F11944 [1,1,0,0,0,0|1,0,1]=4 276 B3R0.1 SCCS D78347 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.1 C=C(C)CCBr 80247 [0,2,0,0,0,0|1,0,1]=4 278 B5R0.1 C=C(C)OCC 78535 [0,2,0,0,0,0|1,0,1]=4 279 B5R0.1 C=CCN(C)C D89797 [0,2,0,0,0,0|0,0,0]=2 280 B5R0.1 C=CC[C@H](C)O D92157 [0,2,0,0,0,0|2,0,0]=4 281 B5R0.1 CC(=O)CC#N 88909 [0,2,0,0,0,0|2,0,0]=4 282 B5R0.1 CC(=O)CCCl F20480 [0,2,0,0,0,0|2,0,0]=4 283 B5R0.1 CC(=O)CCO 55787 [0,2,0,0,0,0|2,0,0]=4 284 B5R0.1 CC(=O)NCO FD10622 [0,2,0,0,0,0|2,0,0]=4 285 B5R0.1 CC(=O)OCBr A12670 [0,2,0,0,0,0|2,0,0]=4 286 B5R0.1 CC(=O)OCCl D78132 [0,2,0,0,0,0|2,0,0]=4 287 B5R0.1 CC(C)=CC=O 23180 [0,2,0,0,0,0|1,0,1]=4 288 B5R0.1 CC(C)=CCBr 75658 [0,2,0,0,0,0|1,0,0]=3 289 B5R0.1 CC(C)=CCO F20316 [0,2,0,0,0,0|1,0,0]=3 290 B5R0.1 CC(C)CC#N 30285 [0,2,0,0,0,0|1,0,0]=3 291 B5R0.1 CC(C)CNN 86152 [0,2,0,0,0,0|1,0,0]=3 292 B5R0.1 CC(C)CON H10571 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.1 CC(C)N=C=S 28415 [0,2,0,0,0,0|1,0,1]=4 294 B5R0.1 CC=C[C@H](C)O D84201 [0,2,0,0,0,0|2,0,0]=4 295 B5R0.1 CCC[C@H](C)N 28967 [0,2,0,0,0,0|2,0,0]=4 296 B5R0.1 CCC[C@H](C)O RB3003 [0,2,0,0,0,0|2,0,0]=4 297 B5R0.1 CCC[C@H](C)O T72186 [0,2,0,0,0,0|2,0,0]=4 298 B5R0.1 CCNC(C)=O AC2513 [0,2,0,0,0,0|2,0,0]=4 299 B5R0.1 CCNC(C)C D77967 [0,2,0,0,0,0|1,0,0]=3 300 B5R0.1 CCOC(C)=N D70134 [0,2,0,0,0,0|2,0,0]=4 301 B5R0.1 CCO[SiH](C)C I11477 [0,2,0,0,0,0|1,0,0]=3 302 B5R0.1 CCSC(C)=O H11301 [0,2,0,0,0,0|2,0,0]=4 303 B5R0.1 CN(C)CC=O O10521 [0,2,0,0,0,0|0,0,0]=2 304 B5R0.1 CN(C)CCBr O10701 [0,2,0,0,0,0|0,0,0]=2 305 B5R0.1 CN(C)CCCl D77997 [0,2,0,0,0,0|0,0,0]=2 306 B5R0.1 CN(C)CCN S12293 [0,2,0,0,0,0|0,0,0]=2 307 B5R0.1 CN(C)CCS 35911 [0,2,0,0,0,0|0,0,0]=2 308 B5R0.1 COCC(C)=O D91400 [0,2,0,0,0,0|2,0,0]=4 309 B5R0.1 COC[C@H](C)O 35103 [0,2,0,0,0,0|2,0,0]=4 310 B5R0.1 COC[C@H](C)O O10158 [0,2,0,0,0,0|2,0,0]=4 311 B5R0.1 CSC[S@](C)=O 63104 [0,2,0,0,0,0|2,0,0]=4 312 B5R0.1 C[C@H](Br)CC#N D88813 [0,2,0,0,0,0|2,0,0]=4 313 B5R0.1 C[C@H](Cl)CCCl D89632 [0,2,0,0,0,0|2,0,0]=4 314 B5R0.1 C[C@H](N)CC#N N12426 [0,2,0,0,0,0|2,0,0]=4 315 B5R0.1 C[C@H](N)CCO 36141 [0,2,0,0,0,0|2,0,0]=4 316 B5R0.1 C[C@H](N)CCO 36142 [0,2,0,0,0,0|2,0,0]=4 317 B5R0.1 C[C@H](N)CCO F11725 [0,2,0,0,0,0|2,0,0]=4 318 B5R0.1 C[C@H](O)CCO 55765 [0,2,0,0,0,0|2,0,0]=4 319 B5R0.1 C[C@H](O)CCO O10183 [0,2,0,0,0,0|2,0,0]=4 320 B5R0.1 C[C@H](O)CNN 71999 [0,2,0,0,0,0|2,0,0]=4 321 B5R0.1 C[NH2+]CC(C)C D91375 [0,2,0,0,0,0|1,0,0]=3 322 B5R0.1 C[Si](C)\C=C\Cl D89369 [0,2,0,0,0,0|1,0,1]=4 323 B5R0.1 C\C=C\C(C)=O F17125 [0,2,0,0,0,0|2,0,0]=4 324 B5R0.3 C=C(CBr)CBr 21111 [0,2,0,0,0,0|1,0,1]=4 325 B5R0.3 C=C(CCl)CCl 23001 [0,2,0,0,0,0|1,0,1]=4 326 B5R0.3 C=C(CO)CO 35347 [0,2,0,0,0,0|1,0,1]=4 327 B5R0.3 CC(CBr)CBr 90917 [0,2,0,0,0,0|1,0,0]=3 328 B5R0.3 CC(CN)CN T72131 [0,2,0,0,0,0|1,0,0]=3 329 B5R0.3 CC(CO)CO D71170 [0,2,0,0,0,0|1,0,0]=3 330 B5R0.3 CCC(=O)CBr F10475 [0,2,0,0,0,0|2,0,0]=4 331 B5R0.3 CCC(=O)CO C75383 [0,2,0,0,0,0|2,0,0]=4 332 B5R0.3 CCC(=O)NC D91338 [0,2,0,0,0,0|2,0,0]=4 333 B5R0.3 CCC(Br)CC H11324 [0,2,0,0,0,0|2,0,0]=4 334 B5R0.3 CCC(N)CC S12161 [0,2,0,0,0,0|2,0,0]=4 335 B5R0.3 CCN(C)CC D97580 [0,2,0,0,0,0|0,0,0]=2 336 B5R0.3 CCS(=O)CC D81870 [0,2,0,0,0,0|2,0,0]=4 337 B5R0.3 CC[C@H](Br)CBr D89608 [0,2,0,0,0,0|2,0,0]=4 338 B5R0.3 CC[C@H](C)CBr A10884 [0,2,0,0,0,0|1,0,0]=3 339 B5R0.3 CC[C@H](C)CCl D89411 [0,2,0,0,0,0|1,0,0]=3 340 B5R0.3 CC[C@H](C)CI D80608 [0,2,0,0,0,0|1,0,0]=3 341 B5R0.3 CC[C@H](C)CN F16114 [0,2,0,0,0,0|1,0,0]=3 342 B5R0.3 CC[C@H](C)CO 88664 [0,2,0,0,0,0|1,0,0]=3 343 B5R0.3 CC[C@H](C)CS D91431 [0,2,0,0,0,0|1,0,0]=3 344 B5R0.3 CC[C@H](C)NC D95752 [0,2,0,0,0,0|1,0,0]=3 345 B5R0.3 CC[C@H](C)NN 72197 [0,2,0,0,0,0|2,0,0]=4 346 B5R0.3 CC[C@H](N)CO 23160 [0,2,0,0,0,0|2,0,0]=4 347 B5R0.3 CC[C@H](N)CO D87517 [0,2,0,0,0,0|2,0,0]=4 348 B5R0.3 CC[C@H](N)CO F14569 [0,2,0,0,0,0|2,0,0]=4 349 B5R0.3 CC[C@H](O)CN D97409 [0,2,0,0,0,0|2,0,0]=4 350 B5R0.3 CC[C@H](O)CO C10640 [0,2,0,0,0,0|2,0,0]=4 351 B5R0.3 CC[C@H](O)CO O10222 [0,2,0,0,0,0|2,0,0]=4 352 B5R0.3 CNC(=O)CBr H10939 [0,2,0,0,0,0|2,0,0]=4 353 B5R0.3 CNC(=O)CCl 28994 [0,2,0,0,0,0|2,0,0]=4 354 B5R0.3 CNC(=O)CN AC1534 [0,2,0,0,0,0|2,0,0]=4 355 B5R0.3 CNC(=O)CN FD21644 [0,2,0,0,0,0|2,0,0]=4 356 B5R0.3 CNC(=O)NC P17517 [0,2,0,0,0,0|2,0,0]=4 357 B5R0.3 CNC(=O)OC 29564 [0,2,0,0,0,0|2,0,0]=4 358 B5R0.3 CNC(=S)NC D97815 [0,2,0,0,0,0|2,0,0]=4 359 B5R0.3 CN[C@@H](C)C#N 31879 [0,2,0,0,0,0|1,0,1]=4 360 B5R0.3 COC(=O)CN 20047 [0,2,0,0,0,0|2,0,0]=4 361 B5R0.3 COC(=O)CO 39413 [0,2,0,0,0,0|2,0,0]=4 362 B5R0.3 CON(C)C=O F11046 [0,2,0,0,0,0|0,0,1]=3 363 B5R0.3 CO[C@@H](C)CN 91004 [0,2,0,0,0,0|1,0,0]=3 364 B5R0.3 CO[C@@H](C)CO 29137 [0,2,0,0,0,0|1,0,0]=3 365 B5R0.3 CO[C@@H](C)CO 35966 [0,2,0,0,0,0|1,0,0]=3 366 B5R0.3 CSC(=O)SC D89996 [0,2,0,0,0,0|2,0,0]=4 367 B5R0.3 CS\C(C)=N\O A11022 [0,2,0,0,0,0|2,0,0]=4 368 B5R0.3 C[C@@H](CN)CO 78445 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.3 C[C@@H](CN)CO AB10326 [0,2,0,0,0,0|1,0,0]=3 370 B5R0.3 ClCC(Cl)CCl D97722 [0,2,0,0,0,0|2,0,0]=4 371 B5R0.3 NC(CO)CO F10927 [0,2,0,0,0,0|2,0,0]=4 372 B5R0.3 NCC(O)CN O10345 [0,2,0,0,0,0|2,0,0]=4 373 B5R0.3 NC[C@H](O)CCl 91258 [0,2,0,0,0,0|2,0,0]=4 374 B5R0.3 NC[C@H](O)CCl F14970 [0,2,0,0,0,0|2,0,0]=4 375 B5R0.3 NC[C@H](O)CO 52095 [0,2,0,0,0,0|2,0,0]=4 376 B5R0.3 NC[C@H](O)CO CL4509 [0,2,0,0,0,0|2,0,0]=4 377 B5R0.3 NC[C@H](O)CO H10491 [0,2,0,0,0,0|2,0,0]=4 378 B5R0.3 O=C(CBr)CBr 60498 [0,2,0,0,0,0|2,0,0]=4 379 B5R0.3 O=C(CCl)CCl 73299 [0,2,0,0,0,0|2,0,0]=4 380 B5R0.3 O=C(CO)CO S12381 [0,2,0,0,0,0|2,0,0]=4 381 B5R0.3 OC(CBr)CBr 90914 [0,2,0,0,0,0|2,0,0]=4 382 B5R0.3 OCC(O)CO C13300 [0,2,0,0,0,0|2,0,0]=4 383 B5R0.3 OCC(O)CO D92249 [0,2,0,0,0,0|2,0,0]=4 384 B5R0.3 OC[C@H](Cl)CCl D89647 [0,2,0,0,0,0|2,0,0]=4 385 B5R0.3 OC[C@H](O)CBr D84178 [0,2,0,0,0,0|2,0,0]=4 386 B5R0.3 OC[C@H](O)CCl 28070 [0,2,0,0,0,0|2,0,0]=4 387 B5R0.3 OC[C@H](O)CCl 28077 [0,2,0,0,0,0|2,0,0]=4 388 B5R0.3 OC[C@H](O)CS D92320 [0,2,0,0,0,0|2,0,0]=4 389 B5R0.3 OC[C@H](S)CS D89691 [0,2,0,0,0,0|2,0,0]=4 390 B5R0.3 O[C@@H](CCl)CI D79037 [0,2,0,0,0,0|2,0,0]=4 391 B5R0.3 O[C@@H](CCl)CI D79038 [0,2,0,0,0,0|2,0,0]=4 392 B5R0.4 C#CC(C)(C)C F15435 [0,2,0,0,0,0|1,0,0]=3 393 B5R0.4 C#CC(C)(C)Cl 28822 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.4 C#C[Si](C)(C)C 76805 [0,2,0,0,0,0|1,0,0]=3 395 B5R0.4 C=CC(C)(C)C D89799 [0,2,0,0,0,0|1,0,0]=3 396 B5R0.4 C=C[Si](C)(C)C 76807 [0,2,0,0,0,0|1,0,0]=3 397 B5R0.4 CC(C)(Br)C=O A12011 [0,2,0,0,0,0|1,0,1]=4 398 B5R0.4 CC(C)(C)C#N 75299 [0,2,0,0,0,0|1,0,0]=3 399 B5R0.4 CC(C)(C)CBr D78161 [0,2,0,0,0,0|1,0,0]=3 400 B5R0.4 CC(C)(C)CCl D89303 [0,2,0,0,0,0|1,0,0]=3 401 B5R0.4 CC(C)(C)CI AT22032 [0,2,0,0,0,0|1,0,0]=3 402 B5R0.4 CC(C)(C)CN C10662 [0,2,0,0,0,0|1,0,0]=3 403 B5R0.4 CC(C)(C)CN H10567 [0,2,0,0,0,0|1,0,0]=3 404 B5R0.4 CC(C)(C)CO D78368 [0,2,0,0,0,0|1,0,0]=3 405 B5R0.4 CC(C)(C)N=O D95969 [0,2,0,0,0,0|1,0,0]=3 406 B5R0.4 CC(C)(C)NN D70845 [0,2,0,0,0,0|1,0,0]=3 407 B5R0.4 CC(C)(C)NO 77596 [0,2,0,0,0,0|1,0,0]=3 408 B5R0.4 CC(C)(C)NO 77597 [0,2,0,0,0,0|1,0,0]=3 409 B5R0.4 CC(C)(C)ON 29937 [0,2,0,0,0,0|1,0,0]=3 410 B5R0.4 CC(C)(I)C#N T72013 [0,2,0,0,0,0|1,0,1]=4 411 B5R0.4 CC(C)(N)C#N 25525 [0,2,0,0,0,0|1,0,1]=4 412 B5R0.4 CC(C)(N)C#N 28961 [0,2,0,0,0,0|1,0,1]=4 413 B5R0.4 CC(C)(N)CN 22841 [0,2,0,0,0,0|1,0,0]=3 414 B5R0.4 CC(C)(N)CO P20005 [0,2,0,0,0,0|1,0,0]=3 415 B5R0.4 CC(C)(O)CCl 28897 [0,2,0,0,0,0|1,0,0]=3 416 B5R0.4 CC(C)(O)CN 24534 [0,2,0,0,0,0|1,0,0]=3 417 B5R0.4 CC(C)(O)CN 62304 [0,2,0,0,0,0|1,0,0]=3 418 B5R0.4 CC(C)(O)CO 31979 [0,2,0,0,0,0|1,0,0]=3 419 B5R0.4 CC(C)(S)CN 39451 [0,2,0,0,0,0|1,0,0]=3 420 B5R0.4 CC(F)(F)CN 86673 [0,2,0,0,0,0|2,0,0]=4 421 B5R0.4 CC(F)(F)CO 60421 [0,2,0,0,0,0|2,0,0]=4 422 B5R0.4 CCC(C)(C)Br D88670 [0,2,0,0,0,0|1,0,0]=3 423 B5R0.4 CCC(C)(C)[O-] D94775 [0,2,0,0,0,0|1,0,0]=3 424 B5R0.4 CCS(C)(=O)=O A10776 [0,2,0,0,0,0|2,0,0]=4 425 B5R0.4 CC[N+](C)(C)C D90453 [0,2,0,0,0,0|0,0,1]=3 426 B5R0.4 CNC(C)(C)C D94509 [0,2,0,0,0,0|1,0,0]=3 427 B5R0.4 CNS(C)(=O)=O AB2915 [0,2,0,0,0,0|2,0,0]=4 428 B5R0.4 COS(C)(=O)=O C10631 [0,2,0,0,0,0|2,0,0]=4 429 B5R0.4 CO[Si](C)(C)C D94568 [0,2,0,0,0,0|1,0,0]=3 430 B5R0.4 CSC(C)(C)C D88816 [0,2,0,0,0,0|1,0,0]=3 431 B5R0.4 CSS(C)(=O)=O H10854 [0,2,0,0,0,0|2,0,0]=4 432 B5R0.4 C[Si](C)(C)CBr D88871 [0,2,0,0,0,0|1,0,0]=3 433 B5R0.4 C[Si](C)(C)CI D73359 [0,2,0,0,0,0|1,0,0]=3 434 B5R0.4 C[Si](C)(C)CO S12036 [0,2,0,0,0,0|1,0,0]=3 435 B5R0.4 C[Si](C)(Cl)CBr D88701 [0,2,0,0,0,0|1,0,0]=3 436 B5R0.4 C[Si](C)(Cl)CCl I11126 [0,2,0,0,0,0|1,0,0]=3 437 B5R0.4 C[Si](Cl)(Cl)CCl D89398 [0,2,0,0,0,0|2,0,0]=4 438 B5R0.4 [C-]#[N+]C(C)(C)C I11390 [0,2,0,0,0,0|1,0,0]=3 439 B5R0.5 C=C(C)C(=C)C F14891 [0,2,0,0,0,0|1,0,1]=4 440 B5R0.5 CC(=O)C(C)=O W18292 [0,2,0,0,0,0|2,0,0]=4 441 B5R0.5 CC(=O)C(F)F AC1257 [0,2,0,0,0,0|2,0,0]=4 442 B5R0.5 CC(=O)N(C)C D88939 [0,2,0,0,0,0|0,0,0]=2 443 B5R0.5 CC(=O)[C@H](C)Br AT12822 [0,2,0,0,0,0|2,0,0]=4 444 B5R0.5 CC(=O)[C@H](C)S D91540 [0,2,0,0,0,0|2,0,0]=4 445 B5R0.5 CC(Br)C(C)Br D89609 [0,2,0,0,0,0|2,0,0]=4 446 B5R0.5 CC(C)=C(C)Br F16090 [0,2,0,0,0,0|1,0,0]=3 447 B5R0.5 CC(C)B(O)O 33150 [0,2,0,0,0,0|2,0,0]=4 448 B5R0.5 CC(C)C(=N)N 73979 [0,2,0,0,0,0|1,0,1]=4 449 B5R0.5 CC(C)C(=O)[O-] D91080 [0,2,0,0,0,0|1,0,1]=4 450 B5R0.5 CC(C)C(N)=O 28439 [0,2,0,0,0,0|1,0,1]=4 451 B5R0.5 CC(C)C(N)=S 80829 [0,2,0,0,0,0|1,0,1]=4 452 B5R0.5 CC(C)N(C)C D95726 [0,2,0,0,0,0|0,0,0]=2 453 B5R0.5 CC(C)[C@H](C)S D91580 [0,2,0,0,0,0|1,0,0]=3 454 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,2,0,0,0,0|2,0,0]=4 455 B5R0.5 CC(O)C(C)O F14836 [0,2,0,0,0,0|2,0,0]=4 456 B5R0.5 CC(O)C(C)S D91539 [0,2,0,0,0,0|2,0,0]=4 457 B5R0.5 CC(S)C(C)S D88972 [0,2,0,0,0,0|2,0,0]=4 458 B5R0.5 CN(C)C(=N)N 71016 [0,2,0,0,0,0|0,0,1]=3 459 B5R0.5 CN(C)C(=S)Cl AT19615 [0,2,0,0,0,0|0,0,1]=3 460 B5R0.5 CN(C)C(=S)[S-] D89765 [0,2,0,0,0,0|0,0,1]=3 461 B5R0.5 CN(C)C(N)=O D89723 [0,2,0,0,0,0|0,0,1]=3 462 B5R0.5 CN(C)C(N)=S F19159 [0,2,0,0,0,0|0,0,1]=3 463 B5R0.5 CN(N)C(N)=S H11592 [0,2,0,0,0,0|1,0,1]=4 464 B5R0.5 C[C@H](O)[C@H](C)O C73651 [0,2,0,0,0,0|2,0,0]=4 465 B5R0.5 C[N+](C)=C(Cl)Cl D89890 [0,2,0,0,0,0|0,0,2]=4 466 B5R1.2 BrC1CCC1 23146 [0,1,0,1,0,0|2,0,0]=4 467 B5R1.2 BrC1CNC1 70950 [0,1,0,1,0,0|2,0,0]=4 468 B5R1.2 BrC1COC1 CS1302 [0,1,0,1,0,0|2,0,0]=4 469 B5R1.2 C=C1CCC1 90960 [0,1,0,1,0,0|1,0,1]=4 470 B5R1.2 CC1CNC1 80306 [0,1,0,1,0,0|1,0,0]=3 471 B5R1.2 C[C@H]1CCN1 86769 [0,1,0,1,0,0|1,0,0]=3 472 B5R1.2 IC1COC1 66502 [0,1,0,1,0,0|2,0,0]=4 473 B5R1.2 NC1CCC1 51600 [0,1,0,1,0,0|2,0,0]=4 474 B5R1.2 NC1CCC1 F10463 [0,1,0,1,0,0|2,0,0]=4 475 B5R1.2 NC1CNC1 SC3251 [0,1,0,1,0,0|2,0,0]=4 476 B5R1.2 NC1COC1 66129 [0,1,0,1,0,0|2,0,0]=4 477 B5R1.2 NC1COC1 CS1335 [0,1,0,1,0,0|2,0,0]=4 478 B5R1.2 O=C1CCC1 24502 [0,1,0,1,0,0|2,0,0]=4 479 B5R1.2 O=C1CCN1 52806 [0,1,0,1,0,0|2,0,0]=4 480 B5R1.2 O=C1CCO1 AT19319 [0,1,0,1,0,0|2,0,0]=4 481 B5R1.2 O=C1CNC1 51063 [0,1,0,1,0,0|2,0,0]=4 482 B5R1.2 O=C1COC1 66386 [0,1,0,1,0,0|2,0,0]=4 483 B5R1.2 O=C1CSC1 BL008272 [0,1,0,1,0,0|2,0,0]=4 484 B5R1.2 OC1CCC1 59166 [0,1,0,1,0,0|2,0,0]=4 485 B5R1.2 OC1CNC1 52824 [0,1,0,1,0,0|2,0,0]=4 486 B5R1.2 OC1COC1 66387 [0,1,0,1,0,0|2,0,0]=4 487 B5R1.2 OC1CSC1 P17229 [0,1,0,1,0,0|2,0,0]=4 488 B5R1.3 BrCC1CC1 23011 [0,1,0,1,0,0|1,0,0]=3 489 B5R1.3 BrC[C@H]1CO1 D87836 [0,1,0,1,0,0|2,0,0]=4 490 B5R1.3 C#CC1CC1 F15427 [0,1,0,1,0,0|1,0,1]=4 491 B5R1.3 CC[C@H]1CO1 A11382 [0,1,0,1,0,0|2,0,0]=4 492 B5R1.3 CNC1CC1 83251 [0,1,0,1,0,0|1,0,0]=3 493 B5R1.3 CNC1CC1 BL006056 [0,1,0,1,0,0|1,0,0]=3 494 B5R1.3 ClCC1CC1 58186 [0,1,0,1,0,0|1,0,0]=3 495 B5R1.3 ClC[C@H]1CO1 37930 [0,1,0,1,0,0|2,0,0]=4 496 B5R1.3 NCC1CC1 F11902 [0,1,0,1,0,0|1,0,0]=3 497 B5R1.3 O=CC1CC1 82833 [0,1,0,1,0,0|1,0,1]=4 498 B5R1.3 OC[C@H]1CO1 23077 [0,1,0,1,0,0|2,0,0]=4 499 B5R1.3 OC[C@H]1CO1 A10767 [0,1,0,1,0,0|2,0,0]=4 500 B5R1.3 OC[C@H]1CO1 H11320 [0,1,0,1,0,0|2,0,0]=4 501 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [0,1,0,1,0,0|2,0,0]=4 502 B5R1.5 CC1(C)CO1 75298 [0,1,0,1,0,0|1,0,0]=3 503 B5R1.5 CC1(N)CC1 26732 [0,1,0,1,0,0|1,0,0]=3