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|2,0,0]=2 2 B3R0.2 CB(O)O 26076 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CC(=O)O 29388 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)O C90337 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)S D92569 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 CC(=O)[O-] 35848 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)[O-] AC2542 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)[O-] AC2625 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(=O)[O-] D70070 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CC(=O)[O-] D74466 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 CC(=O)[O-] D74596 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.2 CC(=O)[O-] D77673 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.2 CC(=O)[O-] D77909 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 CC(=O)[O-] D78215 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 CC(=O)[O-] D78216 [0,0,0,0,0,0|2,0,0]=2 16 B3R0.2 CC(=O)[O-] D81958 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.2 CC(=O)[O-] D84280 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.2 CC(=O)[O-] D88447 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.2 CC(=O)[O-] D91230 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.2 CC(=O)[O-] D95368 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.2 CC(=O)[O-] D95676 [0,0,0,0,0,0|2,0,0]=2 22 B3R0.2 CC(=O)[O-] D95836 [0,0,0,0,0,0|2,0,0]=2 23 B3R0.2 CC(=O)[O-] D95949 [0,0,0,0,0,0|2,0,0]=2 24 B3R0.2 CC(=O)[O-] D95967 [0,0,0,0,0,0|2,0,0]=2 25 B3R0.2 CC(=O)[O-] D95970 [0,0,0,0,0,0|2,0,0]=2 26 B3R0.2 CC(=O)[O-] D97851 [0,0,0,0,0,0|2,0,0]=2 27 B3R0.2 CC(=O)[O-] E70002 [0,0,0,0,0,0|2,0,0]=2 28 B3R0.2 CC(=O)[O-] H10718 [0,0,0,0,0,0|2,0,0]=2 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|1,0,1]=2 32 B3R0.2 CC(N)=S D70870 [0,0,0,0,0,0|2,1,0]=3 33 B3R0.2 CN(C)C F19571 [0,0,0,0,0,0|2,0,0]=2 34 B3R0.2 CN(C)N H10568 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.2 CP(C)C D81836 [0,0,0,0,0,0|2,0,0]=2 36 B3R0.2 CP(C)C F20488 [0,0,0,0,0,0|2,0,0]=2 37 B3R0.2 C[PH](C)=O 20677 [0,0,0,0,0,0|1,0,0]=1 38 B3R0.2 C[S+](C)Br D89000 [0,0,0,0,0,0|1,0,1]=2 39 B3R0.2 C[S+](C)C 11523 [0,0,0,0,0,0|1,0,1]=2 40 B3R0.2 C[S@](=O)[O-] 35930 [0,0,0,0,0,0|1,0,0]=1 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|3,1,0]=4 49 B3R0.2 NC(N)=O D70446 [0,0,0,0,0,0|3,0,0]=3 50 B3R0.2 O=C(O)O D78214 [0,0,0,0,0,0|3,0,0]=3 51 B3R0.2 O=C([O-])[O-] 29292 [0,0,0,0,0,0|3,0,0]=3 52 B3R0.2 O=C([O-])[O-] AC2635 [0,0,0,0,0,0|3,0,0]=3 53 B3R0.2 O=C([O-])[O-] D95733 [0,0,0,0,0,0|3,0,0]=3 54 B3R0.2 O=C([O-])[O-] H12045 [0,0,0,0,0,0|3,0,0]=3 55 B3R0.2 O=[N+]([O-])[O-] AC2340 [0,0,0,0,0,0|3,0,0]=3 56 B3R0.2 O=[N+]([O-])[O-] D78339 [0,0,0,0,0,0|3,0,0]=3 57 B3R0.2 O=[N+]([O-])[O-] D95172 [0,0,0,0,0,0|3,0,0]=3 58 B3R0.2 O=[N+]([O-])[O-] D95621 [0,0,0,0,0,0|3,0,0]=3 59 B3R0.2 O=[N+]([O-])[O-] D95671 [0,0,0,0,0,0|3,0,0]=3 60 B3R0.2 O=[N+]([O-])[O-] D95736 [0,0,0,0,0,0|3,0,0]=3 61 B3R0.2 O=[N+]([O-])[O-] D95950 [0,0,0,0,0,0|3,0,0]=3 62 B3R0.2 O=[N+]([O-])[O-] D95955 [0,0,0,0,0,0|3,0,0]=3 63 B3R0.2 O=[N+]([O-])[O-] D95968 [0,0,0,0,0,0|3,0,0]=3 64 B3R0.2 O=[N+]([O-])[O-] S10441 [0,0,0,0,0,0|3,0,0]=3 65 B3R0.2 O=[V](=O)[O-] D78051 [0,0,0,0,0,0|3,0,0]=3 66 B3R0.2 OP(O)O F20662 [0,0,0,0,0,0|3,0,1]=4 67 B3R0.2 [O-]P([O-])O AT25587 [0,0,0,0,0,0|3,0,1]=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|1,0,0]=2 73 B2R0.1 CC[O-] D78336 [1,0,0,0,0,0|1,0,1]=3 74 B2R0.1 CC[S-] H10136 [1,0,0,0,0,0|1,1,0]=3 75 B2R0.1 CNO 77593 [1,0,0,0,0,0|1,0,1]=3 76 B2R0.1 CON C93493 [1,0,0,0,0,0|1,1,0]=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|2,0,1]=4 81 B2R0.1 N#C[O-] D78265 [1,0,0,0,0,0|2,0,1]=4 82 B2R0.1 N#C[Se-] D94776 [1,0,0,0,0,0|2,1,0]=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|2,0,0]=3 85 B2R0.1 O=CO D78097 [1,0,0,0,0,0|2,0,0]=3 86 B2R0.1 O=C[O-] D95946 [1,0,0,0,0,0|2,0,0]=3 87 B2R0.1 O=N[O-] D95565 [1,0,0,0,0,0|2,0,0]=3 88 B2R0.1 O=[13CH][O-] 41420 [1,0,0,0,0,0|2,0,0]=3 89 B2R0.1 O=[Ge]=O F20443 [1,0,0,0,0,0|2,0,0]=3 90 B2R0.1 O=[Si]=O C13405 [1,0,0,0,0,0|2,0,0]=3 91 B2R0.1 O=[Si]=O D78143 [1,0,0,0,0,0|2,0,0]=3 92 B2R0.1 O=[Te]=O D92683 [1,0,0,0,0,0|1,1,0]=3 93 B2R0.1 OPO AB10327 [1,0,0,0,0,0|2,0,1]=4 94 B2R0.1 [2H]OC D95537 [1,0,0,0,0,0|1,1,0]=3 95 B2R0.1 [2H]O[2H] H11944 [1,0,0,0,0,0|2,1,0]=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(=O)O F10329 [0,1,0,0,0,0|2,0,1]=4 99 B4R0.1 C#CC(C)=O F52495 [0,1,0,0,0,0|1,0,1]=3 100 B4R0.1 C#CC(C)C 22832 [0,1,0,0,0,0|2,0,0]=3 101 B4R0.1 C#CC(N)=O BL007595 [0,1,0,0,0,0|2,0,1]=4 102 B4R0.1 C#C[C@H](C)N P17981 [0,1,0,0,0,0|2,0,1]=4 103 B4R0.1 C#C[C@H](C)O 55689 [0,1,0,0,0,0|1,0,2]=4 104 B4R0.1 C#C[C@H](C)O F17654 [0,1,0,0,0,0|1,0,2]=4 105 B4R0.1 C=C(Br)CBr F15445 [0,1,0,0,0,0|2,0,1]=4 106 B4R0.1 C=C(Br)CO D84296 [0,1,0,0,0,0|2,0,1]=4 107 B4R0.1 C=C(C)C=O H10713 [0,1,0,0,0,0|1,0,1]=3 108 B4R0.1 C=C(C)CBr 29319 [0,1,0,0,0,0|2,0,0]=3 109 B4R0.1 C=C(C)CN 29496 [0,1,0,0,0,0|2,0,0]=3 110 B4R0.1 C=C(C)CO H10780 [0,1,0,0,0,0|2,0,0]=3 111 B4R0.1 C=C(Cl)CCl D97733 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.1 C=CC(=O)[O-] D88317 [0,1,0,0,0,0|2,0,1]=4 113 B4R0.1 C=CC(=O)[O-] H10710 [0,1,0,0,0,0|2,0,1]=4 114 B4R0.1 C=C[C@H](C)O W13854 [0,1,0,0,0,0|1,0,2]=4 115 B4R0.1 C=NN(C)C T72047 [0,1,0,0,0,0|2,0,0]=3 116 B4R0.1 CC(=N)NO 74820 [0,1,0,0,0,0|2,0,1]=4 117 B4R0.1 CC(=O)CBr 76485 [0,1,0,0,0,0|1,0,0]=2 118 B4R0.1 CC(=O)CN 24448 [0,1,0,0,0,0|1,0,0]=2 119 B4R0.1 CC(=O)NBr 70825 [0,1,0,0,0,0|2,0,0]=3 120 B4R0.1 CC(=O)NN AB6005 [0,1,0,0,0,0|2,0,0]=3 121 B4R0.1 CC(=O)NO 78370 [0,1,0,0,0,0|2,0,0]=3 122 B4R0.1 CC(C)=CBr 29237 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.1 CC(C)=NO D70154 [0,1,0,0,0,0|1,0,1]=3 124 B4R0.1 CC(C)CN D70621 [0,1,0,0,0,0|2,0,0]=3 125 B4R0.1 CC(C)NN 35766 [0,1,0,0,0,0|2,0,0]=3 126 B4R0.1 CC(C)NN C10400 [0,1,0,0,0,0|2,0,0]=3 127 B4R0.1 CC(C)NO 77595 [0,1,0,0,0,0|1,0,1]=3 128 B4R0.1 CC(C)ON 77602 [0,1,0,0,0,0|1,0,1]=3 129 B4R0.1 CCB(O)O 33051 [0,1,0,0,0,0|2,0,1]=4 130 B4R0.1 CCC(=N)N 65202 [0,1,0,0,0,0|3,0,0]=4 131 B4R0.1 CCC(N)=O O12053 [0,1,0,0,0,0|2,0,0]=3 132 B4R0.1 CCC(N)=S AT14776 [0,1,0,0,0,0|2,1,0]=4 133 B4R0.1 CC[C@H](C)O 70716 [0,1,0,0,0,0|1,0,1]=3 134 B4R0.1 CC[C@H](C)O 70832 [0,1,0,0,0,0|1,0,1]=3 135 B4R0.1 CC[S@](=O)[O-] F16489 [0,1,0,0,0,0|1,0,0]=2 136 B4R0.1 CN(C)C=S 70822 [0,1,0,0,0,0|1,1,0]=3 137 B4R0.1 CN(C)N=O AT21751 [0,1,0,0,0,0|1,0,0]=2 138 B4R0.1 CN=C(N)N D91522 [0,1,0,0,0,0|3,0,0]=4 139 B4R0.1 CNC(=N)N P16886 [0,1,0,0,0,0|3,0,0]=4 140 B4R0.1 CNC(=O)Cl D81983 [0,1,0,0,0,0|2,0,0]=3 141 B4R0.1 CNC(C)C 39417 [0,1,0,0,0,0|2,0,0]=3 142 B4R0.1 CNC(N)=O AC8061 [0,1,0,0,0,0|2,0,0]=3 143 B4R0.1 CNN(C)C 66800 [0,1,0,0,0,0|2,0,0]=3 144 B4R0.1 COC(=N)N F11253 [0,1,0,0,0,0|3,0,0]=4 145 B4R0.1 COC(=N)N F14927 [0,1,0,0,0,0|3,0,0]=4 146 B4R0.1 COC(=N)N I11503 [0,1,0,0,0,0|3,0,0]=4 147 B4R0.1 COC(Cl)Cl D87753 [0,1,0,0,0,0|3,0,0]=4 148 B4R0.1 COC(N)=O D86342 [0,1,0,0,0,0|2,0,0]=3 149 B4R0.1 COP(Cl)Cl D91399 [0,1,0,0,0,0|3,0,0]=4 150 B4R0.1 CSC(=N)N 20543 [0,1,0,0,0,0|3,0,0]=4 151 B4R0.1 CSC(=N)N E70432 [0,1,0,0,0,0|3,0,0]=4 152 B4R0.1 CSC(C)=O D82067 [0,1,0,0,0,0|1,0,0]=2 153 B4R0.1 C[C@H](Br)C#N S12043 [0,1,0,0,0,0|2,0,1]=4 154 B4R0.1 C[C@H](Cl)CO H11590 [0,1,0,0,0,0|2,0,0]=3 155 B4R0.1 C[C@H](Cl)CO O10168 [0,1,0,0,0,0|2,0,0]=3 156 B4R0.1 C[C@H](N)CN 35106 [0,1,0,0,0,0|2,0,0]=3 157 B4R0.1 C[C@H](N)CN P20461 [0,1,0,0,0,0|2,0,0]=3 158 B4R0.1 C[C@H](N)CO 28476 [0,1,0,0,0,0|2,0,0]=3 159 B4R0.1 C[C@H](N)CO 29970 [0,1,0,0,0,0|2,0,0]=3 160 B4R0.1 C[C@H](N)CO 29971 [0,1,0,0,0,0|2,0,0]=3 161 B4R0.1 C[C@H](O)CCl C10666 [0,1,0,0,0,0|1,0,1]=3 162 B4R0.1 C[C@H](O)CCl D87799 [0,1,0,0,0,0|1,0,1]=3 163 B4R0.1 C[C@H](O)CCl H11611 [0,1,0,0,0,0|1,0,1]=3 164 B4R0.1 C[C@H](O)CN 86259 [0,1,0,0,0,0|1,0,1]=3 165 B4R0.1 C[C@H](O)CN 86301 [0,1,0,0,0,0|1,0,1]=3 166 B4R0.1 C[C@H](O)CN A10592 [0,1,0,0,0,0|1,0,1]=3 167 B4R0.1 C[C@H](O)CO A11633 [0,1,0,0,0,0|1,0,1]=3 168 B4R0.1 C[C@H](O)CO A11634 [0,1,0,0,0,0|1,0,1]=3 169 B4R0.1 C[N+](C)=CCl D89427 [0,1,0,0,0,0|2,0,0]=3 170 B4R0.1 C\C(N)=N\O 35620 [0,1,0,0,0,0|2,0,1]=4 171 B4R0.1 FC(F)CI 30620 [0,1,0,0,0,0|3,0,0]=4 172 B4R0.1 N=C(N)CCl F11896 [0,1,0,0,0,0|3,0,0]=4 173 B4R0.1 N=C(N)CN 20106 [0,1,0,0,0,0|3,0,0]=4 174 B4R0.1 N=C(N)CO C10100 [0,1,0,0,0,0|3,0,0]=4 175 B4R0.1 NC(=O)CBr 35276 [0,1,0,0,0,0|2,0,0]=3 176 B4R0.1 NC(=O)CI 25452 [0,1,0,0,0,0|2,0,0]=3 177 B4R0.1 NC(=O)CO D77798 [0,1,0,0,0,0|2,0,0]=3 178 B4R0.1 NC(=O)NO A10546 [0,1,0,0,0,0|3,0,0]=4 179 B4R0.1 NCC(=O)O D70890 [0,1,0,0,0,0|2,0,0]=3 180 B4R0.1 NCC(=O)O F21278 [0,1,0,0,0,0|2,0,0]=3 181 B4R0.1 NCC(=O)[O-] D70403 [0,1,0,0,0,0|2,0,0]=3 182 B4R0.1 NCC(=O)[O-] D77927 [0,1,0,0,0,0|2,0,0]=3 183 B4R0.1 NCC(=O)[O-] D84274 [0,1,0,0,0,0|2,0,0]=3 184 B4R0.1 NCC(=O)[O-] D95398 [0,1,0,0,0,0|2,0,0]=3 185 B4R0.1 NCC(F)F O10557 [0,1,0,0,0,0|3,0,0]=4 186 B4R0.1 NCC(N)=O 20652 [0,1,0,0,0,0|2,0,0]=3 187 B4R0.1 NCC(N)=O 58529 [0,1,0,0,0,0|2,0,0]=3 188 B4R0.1 NNC(N)=O D95915 [0,1,0,0,0,0|3,0,0]=4 189 B4R0.1 O=C(Cl)CBr D87897 [0,1,0,0,0,0|2,0,0]=3 190 B4R0.1 O=C(Cl)SCl D89346 [0,1,0,0,0,0|3,0,0]=4 191 B4R0.1 O=C(O)CO D78078 [0,1,0,0,0,0|2,0,0]=3 192 B4R0.1 O=CC(=O)O D70821 [0,1,0,0,0,0|2,0,1]=4 193 B4R0.1 O=CC(=O)O F14188 [0,1,0,0,0,0|2,0,1]=4 194 B4R0.1 O=[N+]([O-])CBr 76484 [0,1,0,0,0,0|2,0,0]=3 195 B4R0.1 OCC(F)F FD2062 [0,1,0,0,0,0|3,0,0]=4 196 B4R0.3 CC(C)(C)I D88747 [0,1,0,0,0,0|2,0,0]=3 197 B4R0.3 CC(C)(C)N D83855 [0,1,0,0,0,0|2,0,0]=3 198 B4R0.3 CC(C)(C)N D89117 [0,1,0,0,0,0|2,0,0]=3 199 B4R0.3 CC(C)(C)N F14004 [0,1,0,0,0,0|2,0,0]=3 200 B4R0.3 CC(C)(C)[O-] D78008 [0,1,0,0,0,0|1,0,1]=3 201 B4R0.3 CC(C)(C)[O-] D78330 [0,1,0,0,0,0|1,0,1]=3 202 B4R0.3 CC(C)(C)[O-] D88327 [0,1,0,0,0,0|1,0,1]=3 203 B4R0.3 CP(=O)(O)O D95909 [0,1,0,0,0,0|2,0,0]=3 204 B4R0.3 CS(=O)(=O)O AT25153 [0,1,0,0,0,0|1,0,1]=3 205 B4R0.3 CS(=O)(=O)[O-] A11504 [0,1,0,0,0,0|1,0,1]=3 206 B4R0.3 CS(=O)(=O)[O-] D82065 [0,1,0,0,0,0|1,0,1]=3 207 B4R0.3 CS(=O)(=O)[O-] E70319 [0,1,0,0,0,0|1,0,1]=3 208 B4R0.3 CS(=O)(=O)[S-] W18874 [0,1,0,0,0,0|1,0,1]=3 209 B4R0.3 CS(C)(=N)=O F31251 [0,1,0,0,0,0|0,0,1]=2 210 B4R0.3 CS(C)(=O)=O D70240 [0,1,0,0,0,0|0,0,1]=2 211 B4R0.3 CS(N)(=O)=O AC7862 [0,1,0,0,0,0|1,0,1]=3 212 B4R0.3 C[B-](F)(F)F 29656 [0,1,0,0,0,0|3,0,0]=4 213 B4R0.3 C[N+](C)(C)C A10946 [0,1,0,0,0,0|2,0,0]=3 214 B4R0.3 C[N+](C)(C)C AC7796 [0,1,0,0,0,0|2,0,0]=3 215 B4R0.3 C[N+](C)(C)C AT22119 [0,1,0,0,0,0|2,0,0]=3 216 B4R0.3 C[N+](C)(C)C D77756 [0,1,0,0,0,0|2,0,0]=3 217 B4R0.3 C[N+](C)(C)C D78250 [0,1,0,0,0,0|2,0,0]=3 218 B4R0.3 C[N+](C)(C)C D95388 [0,1,0,0,0,0|2,0,0]=3 219 B4R0.3 C[N+](C)(C)C D95778 [0,1,0,0,0,0|2,0,0]=3 220 B4R0.3 C[N+](C)(C)C FD10633 [0,1,0,0,0,0|2,0,0]=3 221 B4R0.3 C[N+](C)(C)C H10703 [0,1,0,0,0,0|2,0,0]=3 222 B4R0.3 C[N+](C)(C)C H10935 [0,1,0,0,0,0|2,0,0]=3 223 B4R0.3 C[N+](C)(C)C O12146 [0,1,0,0,0,0|2,0,0]=3 224 B4R0.3 C[N+](C)(C)[O-] D70574 [0,1,0,0,0,0|1,0,1]=3 225 B4R0.3 C[S+](C)(C)=O A11312 [0,1,0,0,0,0|0,0,1]=2 226 B4R0.3 C[S+](C)(C)=O AC7850 [0,1,0,0,0,0|0,0,1]=2 227 B4R0.3 C[S+](C)(C)=O AC8170 [0,1,0,0,0,0|0,0,1]=2 228 B4R0.3 C[Si](C)(C)Br D88750 [0,1,0,0,0,0|2,0,0]=3 229 B4R0.3 C[Si](C)(C)I F15417 [0,1,0,0,0,0|2,0,0]=3 230 B4R0.3 C[Si](C)(C)[O-] 76749 [0,1,0,0,0,0|1,0,1]=3 231 B4R0.3 C[Si](C)(C)[O-] D86377 [0,1,0,0,0,0|1,0,1]=3 232 B4R0.3 C[Sn](C)(C)C D95827 [0,1,0,0,0,0|2,0,0]=3 233 B4R0.3 NS(=O)(=O)Cl 30747 [0,1,0,0,0,0|2,0,1]=4 234 B4R0.3 NS(=O)(=O)[O-] D95248 [0,1,0,0,0,0|2,0,1]=4 235 B4R0.3 NS(=O)(=O)[O-] H10675 [0,1,0,0,0,0|2,0,1]=4 236 B4R0.3 NS(N)(=O)=O S12311 [0,1,0,0,0,0|2,0,1]=4 237 B4R0.3 O=Cl(=O)(=O)[O-] D97853 [0,1,0,0,0,0|3,0,0]=4 238 B4R0.3 O=P(O)(F)F D94280 [0,1,0,0,0,0|3,0,0]=4 239 B4R0.3 O=P([O-])([O-])[O-] D78130 [0,1,0,0,0,0|3,0,0]=4 240 B4R0.3 O=P([O-])([O-])[O-] D78139 [0,1,0,0,0,0|3,0,0]=4 241 B4R0.3 O=P([O-])([O-])[O-] H12048 [0,1,0,0,0,0|3,0,0]=4 242 B4R0.3 O=S(=O)(O)O D77746 [0,1,0,0,0,0|2,0,1]=4 243 B4R0.3 O=S(=O)(O)O H11038 [0,1,0,0,0,0|2,0,1]=4 244 B4R0.3 O=S(=O)([O-])O D90622 [0,1,0,0,0,0|2,0,1]=4 245 B4R0.3 O=S(=O)([O-])[O-] AC2339 [0,1,0,0,0,0|2,0,1]=4 246 B4R0.3 O=S(=O)([O-])[O-] AC2544 [0,1,0,0,0,0|2,0,1]=4 247 B4R0.3 O=S(=O)([O-])[O-] C13502 [0,1,0,0,0,0|2,0,1]=4 248 B4R0.3 O=S(=O)([O-])[O-] D95954 [0,1,0,0,0,0|2,0,1]=4 249 B4R0.3 O=S(=O)([O-])[O-] D97195 [0,1,0,0,0,0|2,0,1]=4 250 B4R0.3 O=S(=O)([O-])[O-] D97777 [0,1,0,0,0,0|2,0,1]=4 251 B4R0.3 O=S([O-])([O-])=S D78333 [0,1,0,0,0,0|2,0,1]=4 252 B4R0.3 O=[Mo](=O)(O)O D78107 [0,1,0,0,0,0|3,0,0]=4 253 B4R0.3 O=[Mo](=O)([O-])[O-] A11800 [0,1,0,0,0,0|3,0,0]=4 254 B4R0.3 O=[Os](=O)([O-])[O-] C13967 [0,1,0,0,0,0|3,0,0]=4 255 B4R0.3 O=[W](=O)([O-])[O-] H11589 [0,1,0,0,0,0|3,0,0]=4 256 B4R1.2 BrC1CC1 55622 [0,0,0,1,0,0|2,0,0]=3 257 B4R1.2 C[C@H]1CS1 D91944 [0,0,0,1,0,0|1,1,0]=3 258 B4R1.2 NC1CC1 P19977 [0,0,0,1,0,0|2,0,0]=3 259 B4R1.2 OC1CC1 87295 [0,0,0,1,0,0|1,0,1]=3 260 B1R0.1 CN N12122 [2,0,0,0,0,0|1,0,0]=3 261 B1R0.1 C[O-] S11669 [2,0,0,0,0,0|0,0,1]=3 262 B1R0.1 NN D78079 [2,0,0,0,0,0|2,0,0]=4 263 B1R0.1 NO D78016 [2,0,0,0,0,0|1,0,1]=4 264 B1R0.1 [C-]#N D78338 [2,0,0,0,0,0|1,0,1]=4 265 B1R0.1 [C-]#[O+] D80405 [2,0,0,0,0,0|0,0,2]=4 266 B1R0.1 [C-]#[O+] D81839 [2,0,0,0,0,0|0,0,2]=4 267 B1R0.1 [C-]#[O+] D90157 [2,0,0,0,0,0|0,0,2]=4 268 B1R0.1 [C-]#[O+] D94507 [2,0,0,0,0,0|0,0,2]=4 269 B1R0.1 [C-]#[O+] D94520 [2,0,0,0,0,0|0,0,2]=4 270 B1R0.1 [C-]#[O+] D94891 [2,0,0,0,0,0|0,0,2]=4 271 B1R0.1 [C-]#[O+] D95847 [2,0,0,0,0,0|0,0,2]=4 272 B1R0.1 [C-]#[O+] D95860 [2,0,0,0,0,0|0,0,2]=4 273 B3R0.1 C#CCBr 28449 [1,1,0,0,0,0|1,0,1]=4 274 B3R0.1 C#CCN 65315 [1,1,0,0,0,0|1,0,1]=4 275 B3R0.1 C#CCN RB8001 [1,1,0,0,0,0|1,0,1]=4 276 B3R0.1 C=CCC F17161 [1,1,0,0,0,0|1,0,1]=4 277 B3R0.1 C=CCI D78530 [1,1,0,0,0,0|1,0,1]=4 278 B3R0.1 C=CC[Pd+] F10003 [1,1,0,0,0,0|1,0,1]=4 279 B3R0.1 CCCN D74104 [1,1,0,0,0,0|1,0,0]=3 280 B3R0.1 CCCN D80322 [1,1,0,0,0,0|1,0,0]=3 281 B3R0.1 CCNC 28743 [1,1,0,0,0,0|1,0,0]=3 282 B3R0.1 CCNC D78313 [1,1,0,0,0,0|1,0,0]=3 283 B3R0.1 CCNN D93746 [1,1,0,0,0,0|2,0,0]=4 284 B3R0.1 CCNO 77594 [1,1,0,0,0,0|1,0,1]=4 285 B3R0.1 CCON 35725 [1,1,0,0,0,0|1,0,1]=4 286 B3R0.1 CCSC D90442 [1,1,0,0,0,0|0,0,1]=3 287 B3R0.1 CNNC F14608 [1,1,0,0,0,0|1,0,0]=3 288 B3R0.1 CNOC 60204 [1,1,0,0,0,0|0,1,0]=3 289 B3R0.1 COCBr D78328 [1,1,0,0,0,0|0,1,0]=3 290 B3R0.1 CSCCl F20413 [1,1,0,0,0,0|0,0,1]=3 291 B3R0.1 C\C=N\O F13401 [1,1,0,0,0,0|1,0,1]=4 292 B3R0.1 ClCCBr D95298 [1,1,0,0,0,0|2,0,0]=4 293 B3R0.1 FCCI 29129 [1,1,0,0,0,0|2,0,0]=4 294 B3R0.1 ICCI D70963 [1,1,0,0,0,0|2,0,0]=4 295 B3R0.1 N#CCBr D88745 [1,1,0,0,0,0|2,0,0]=4 296 B3R0.1 N#CCF P18220 [1,1,0,0,0,0|2,0,0]=4 297 B3R0.1 N#CCI C10929 [1,1,0,0,0,0|2,0,0]=4 298 B3R0.1 N#CCN 28451 [1,1,0,0,0,0|2,0,0]=4 299 B3R0.1 NCCBr 12331 [1,1,0,0,0,0|2,0,0]=4 300 B3R0.1 NCCCl D70641 [1,1,0,0,0,0|2,0,0]=4 301 B3R0.1 NCCF 22877 [1,1,0,0,0,0|2,0,0]=4 302 B3R0.1 NCCN T72638 [1,1,0,0,0,0|2,0,0]=4 303 B3R0.1 NCCO F17546 [1,1,0,0,0,0|1,0,1]=4 304 B3R0.1 NCCO P20022 [1,1,0,0,0,0|1,0,1]=4 305 B3R0.1 NCCS D70222 [1,1,0,0,0,0|1,1,0]=4 306 B3R0.1 NCCS D88299 [1,1,0,0,0,0|1,1,0]=4 307 B3R0.1 NNC=O F11944 [1,1,0,0,0,0|2,0,0]=4 308 B3R0.1 SCCS D78347 [1,1,0,0,0,0|1,1,0]=4 309 B5R0.1 C#CCC(=O)O F14007 [0,2,0,0,0,0|2,0,0]=4 310 B5R0.1 C=C(C)CCBr 80247 [0,2,0,0,0,0|2,0,0]=4 311 B5R0.1 C=C(C)OCC 78535 [0,2,0,0,0,0|2,0,0]=4 312 B5R0.1 C=CCC(=O)O H10768 [0,2,0,0,0,0|2,0,0]=4 313 B5R0.1 C=CCN(C)C D89797 [0,2,0,0,0,0|2,0,0]=4 314 B5R0.1 C=CC[C@H](C)O D92157 [0,2,0,0,0,0|1,0,1]=4 315 B5R0.1 C=CNC(C)=O D92786 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.1 C=NCC(N)=O D97705 [0,2,0,0,0,0|2,0,0]=4 317 B5R0.1 CC#CC(=O)O 66664 [0,2,0,0,0,0|2,0,0]=4 318 B5R0.1 CC(=O)CC#N 88909 [0,2,0,0,0,0|1,0,0]=3 319 B5R0.1 CC(=O)CCCl F20480 [0,2,0,0,0,0|1,0,0]=3 320 B5R0.1 CC(=O)CCO 55787 [0,2,0,0,0,0|1,0,0]=3 321 B5R0.1 CC(=O)NCO FD10622 [0,2,0,0,0,0|1,0,0]=3 322 B5R0.1 CC(=O)OCBr A12670 [0,2,0,0,0,0|1,0,0]=3 323 B5R0.1 CC(=O)OCCl D78132 [0,2,0,0,0,0|1,0,0]=3 324 B5R0.1 CC(=O)\C=N\O D72887 [0,2,0,0,0,0|1,0,1]=4 325 B5R0.1 CC(C)=CC=O 23180 [0,2,0,0,0,0|1,0,0]=3 326 B5R0.1 CC(C)=CCBr 75658 [0,2,0,0,0,0|2,0,0]=4 327 B5R0.1 CC(C)=CCO F20316 [0,2,0,0,0,0|1,0,1]=4 328 B5R0.1 CC(C)CC#N 30285 [0,2,0,0,0,0|2,0,0]=4 329 B5R0.1 CC(C)CNN 86152 [0,2,0,0,0,0|2,0,0]=4 330 B5R0.1 CC(C)CON H10571 [0,2,0,0,0,0|1,0,1]=4 331 B5R0.1 CC(C)N=C=S 28415 [0,2,0,0,0,0|1,1,0]=4 332 B5R0.1 CC=C[C@H](C)O D84201 [0,2,0,0,0,0|1,0,1]=4 333 B5R0.1 CCCC(=O)[O-] D84277 [0,2,0,0,0,0|2,0,0]=4 334 B5R0.1 CCCC(N)=O D70204 [0,2,0,0,0,0|2,0,0]=4 335 B5R0.1 CCC[C@H](C)N 28967 [0,2,0,0,0,0|2,0,0]=4 336 B5R0.1 CCC[C@H](C)O RB3003 [0,2,0,0,0,0|1,0,1]=4 337 B5R0.1 CCC[C@H](C)O T72186 [0,2,0,0,0,0|1,0,1]=4 338 B5R0.1 CCC[N+](=O)[O-] D97683 [0,2,0,0,0,0|2,0,0]=4 339 B5R0.1 CCNC(C)=O AC2513 [0,2,0,0,0,0|1,0,0]=3 340 B5R0.1 CCNC(C)C D77967 [0,2,0,0,0,0|2,0,0]=4 341 B5R0.1 CCNC(N)=O D95291 [0,2,0,0,0,0|2,0,0]=4 342 B5R0.1 CCOC(C)=N D70134 [0,2,0,0,0,0|2,0,0]=4 343 B5R0.1 CCOC(N)=O F21294 [0,2,0,0,0,0|2,0,0]=4 344 B5R0.1 CCO[SiH](C)C I11477 [0,2,0,0,0,0|1,0,1]=4 345 B5R0.1 CCSC(C)=O H11301 [0,2,0,0,0,0|1,0,0]=3 346 B5R0.1 CN(C)CC=O O10521 [0,2,0,0,0,0|1,0,0]=3 347 B5R0.1 CN(C)CCBr O10701 [0,2,0,0,0,0|2,0,0]=4 348 B5R0.1 CN(C)CCCl D77997 [0,2,0,0,0,0|2,0,0]=4 349 B5R0.1 CN(C)CCN S12293 [0,2,0,0,0,0|2,0,0]=4 350 B5R0.1 CN(C)CCS 35911 [0,2,0,0,0,0|1,1,0]=4 351 B5R0.1 CNCC(=O)O 73735 [0,2,0,0,0,0|2,0,0]=4 352 B5R0.1 CNCC(=O)O AC7804 [0,2,0,0,0,0|2,0,0]=4 353 B5R0.1 CNCC(N)=O A11560 [0,2,0,0,0,0|2,0,0]=4 354 B5R0.1 COCC(=O)Cl D78222 [0,2,0,0,0,0|2,0,0]=4 355 B5R0.1 COCC(=O)O D77874 [0,2,0,0,0,0|2,0,0]=4 356 B5R0.1 COCC(C)=O D91400 [0,2,0,0,0,0|1,0,0]=3 357 B5R0.1 COCC(N)=O F20983 [0,2,0,0,0,0|2,0,0]=4 358 B5R0.1 COC[C@H](C)O 35103 [0,2,0,0,0,0|1,0,1]=4 359 B5R0.1 COC[C@H](C)O O10158 [0,2,0,0,0,0|1,0,1]=4 360 B5R0.1 CSCC(=O)O F15988 [0,2,0,0,0,0|2,0,0]=4 361 B5R0.1 CSCC(N)=O 23231 [0,2,0,0,0,0|2,0,0]=4 362 B5R0.1 CSC[S@](C)=O 63104 [0,2,0,0,0,0|0,0,0]=2 363 B5R0.1 C[C@H](Br)CC#N D88813 [0,2,0,0,0,0|2,0,0]=4 364 B5R0.1 C[C@H](Cl)CCCl D89632 [0,2,0,0,0,0|2,0,0]=4 365 B5R0.1 C[C@H](N)CC#N N12426 [0,2,0,0,0,0|2,0,0]=4 366 B5R0.1 C[C@H](N)CCO 36141 [0,2,0,0,0,0|2,0,0]=4 367 B5R0.1 C[C@H](N)CCO 36142 [0,2,0,0,0,0|2,0,0]=4 368 B5R0.1 C[C@H](N)CCO F11725 [0,2,0,0,0,0|2,0,0]=4 369 B5R0.1 C[C@H](O)CCO 55765 [0,2,0,0,0,0|1,0,1]=4 370 B5R0.1 C[C@H](O)CCO O10183 [0,2,0,0,0,0|1,0,1]=4 371 B5R0.1 C[C@H](O)CNN 71999 [0,2,0,0,0,0|1,0,1]=4 372 B5R0.1 C[NH2+]CC(C)C D91375 [0,2,0,0,0,0|2,0,0]=4 373 B5R0.1 C[Si](C)\C=C\Cl D89369 [0,2,0,0,0,0|2,0,0]=4 374 B5R0.1 C\C=C\C(=O)Cl D78102 [0,2,0,0,0,0|2,0,0]=4 375 B5R0.1 C\C=C\C(=O)Cl F20351 [0,2,0,0,0,0|2,0,0]=4 376 B5R0.1 C\C=C\C(=O)O RB8002 [0,2,0,0,0,0|2,0,0]=4 377 B5R0.1 C\C=C\C(C)=O F17125 [0,2,0,0,0,0|1,0,0]=3 378 B5R0.1 N#CCC(=O)O P20002 [0,2,0,0,0,0|2,0,0]=4 379 B5R0.1 N#CCC(=O)[O-] D83681 [0,2,0,0,0,0|2,0,0]=4 380 B5R0.1 N#CCC(N)=O W18657 [0,2,0,0,0,0|2,0,0]=4 381 B5R0.1 NC(=O)CCBr C16124 [0,2,0,0,0,0|2,0,0]=4 382 B5R0.1 NCCC(N)=O F13534 [0,2,0,0,0,0|2,0,0]=4 383 B5R0.1 NOCC(=O)O H11929 [0,2,0,0,0,0|2,0,0]=4 384 B5R0.1 O=C(Cl)CCBr D88890 [0,2,0,0,0,0|2,0,0]=4 385 B5R0.1 O=C(Cl)OCCl H11933 [0,2,0,0,0,0|2,0,0]=4 386 B5R0.1 O=C(O)CCBr P17146 [0,2,0,0,0,0|2,0,0]=4 387 B5R0.1 O=C(O)CCF 71324 [0,2,0,0,0,0|2,0,0]=4 388 B5R0.1 O=C(O)CCI D91073 [0,2,0,0,0,0|2,0,0]=4 389 B5R0.1 O=C(O)CCO 77998 [0,2,0,0,0,0|2,0,0]=4 390 B5R0.1 O=C(O)CCS AT21041 [0,2,0,0,0,0|2,0,0]=4 391 B5R0.1 O=[N+]([O-])CCO AC1643 [0,2,0,0,0,0|2,0,0]=4 392 B5R0.3 C#CC(=O)OC P17723 [0,2,0,0,0,0|1,0,1]=4 393 B5R0.3 C=C(CBr)CBr 21111 [0,2,0,0,0,0|2,0,0]=4 394 B5R0.3 C=C(CCl)CCl 23001 [0,2,0,0,0,0|2,0,0]=4 395 B5R0.3 C=C(CO)CO 35347 [0,2,0,0,0,0|2,0,0]=4 396 B5R0.3 C=CC(=O)NC AB9590 [0,2,0,0,0,0|1,0,1]=4 397 B5R0.3 CC(CBr)CBr 90917 [0,2,0,0,0,0|2,0,0]=4 398 B5R0.3 CC(CN)CN T72131 [0,2,0,0,0,0|2,0,0]=4 399 B5R0.3 CC(CO)CO D71170 [0,2,0,0,0,0|1,0,1]=4 400 B5R0.3 CCC(=O)CBr F10475 [0,2,0,0,0,0|1,0,0]=3 401 B5R0.3 CCC(=O)CO C75383 [0,2,0,0,0,0|1,0,0]=3 402 B5R0.3 CCC(=O)NC D91338 [0,2,0,0,0,0|1,0,0]=3 403 B5R0.3 CCC(=O)NN 20641 [0,2,0,0,0,0|2,0,0]=4 404 B5R0.3 CCC(Br)CC H11324 [0,2,0,0,0,0|2,0,0]=4 405 B5R0.3 CCC(N)CC S12161 [0,2,0,0,0,0|2,0,0]=4 406 B5R0.3 CCN(C)CC D97580 [0,2,0,0,0,0|2,0,0]=4 407 B5R0.3 CCS(=O)CC D81870 [0,2,0,0,0,0|0,0,0]=2 408 B5R0.3 CC[C@H](Br)CBr D89608 [0,2,0,0,0,0|2,0,0]=4 409 B5R0.3 CC[C@H](C)CBr A10884 [0,2,0,0,0,0|2,0,0]=4 410 B5R0.3 CC[C@H](C)CCl D89411 [0,2,0,0,0,0|2,0,0]=4 411 B5R0.3 CC[C@H](C)CI D80608 [0,2,0,0,0,0|2,0,0]=4 412 B5R0.3 CC[C@H](C)CN F16114 [0,2,0,0,0,0|2,0,0]=4 413 B5R0.3 CC[C@H](C)CO 88664 [0,2,0,0,0,0|1,0,1]=4 414 B5R0.3 CC[C@H](C)CS D91431 [0,2,0,0,0,0|1,1,0]=4 415 B5R0.3 CC[C@H](C)NC D95752 [0,2,0,0,0,0|2,0,0]=4 416 B5R0.3 CC[C@H](C)NN 72197 [0,2,0,0,0,0|2,0,0]=4 417 B5R0.3 CC[C@H](N)CO 23160 [0,2,0,0,0,0|2,0,0]=4 418 B5R0.3 CC[C@H](N)CO D87517 [0,2,0,0,0,0|2,0,0]=4 419 B5R0.3 CC[C@H](N)CO F14569 [0,2,0,0,0,0|2,0,0]=4 420 B5R0.3 CC[C@H](O)CN D97409 [0,2,0,0,0,0|1,0,1]=4 421 B5R0.3 CC[C@H](O)CO C10640 [0,2,0,0,0,0|1,0,1]=4 422 B5R0.3 CC[C@H](O)CO O10222 [0,2,0,0,0,0|1,0,1]=4 423 B5R0.3 CNC(=O)CBr H10939 [0,2,0,0,0,0|1,0,0]=3 424 B5R0.3 CNC(=O)CCl 28994 [0,2,0,0,0,0|1,0,0]=3 425 B5R0.3 CNC(=O)CN AC1534 [0,2,0,0,0,0|1,0,0]=3 426 B5R0.3 CNC(=O)CN FD21644 [0,2,0,0,0,0|1,0,0]=3 427 B5R0.3 CNC(=O)NC P17517 [0,2,0,0,0,0|1,0,0]=3 428 B5R0.3 CNC(=O)OC 29564 [0,2,0,0,0,0|1,0,0]=3 429 B5R0.3 CNC(=S)NC D97815 [0,2,0,0,0,0|1,1,0]=4 430 B5R0.3 CN[C@@H](C)C#N 31879 [0,2,0,0,0,0|2,0,0]=4 431 B5R0.3 COC(=O)CN 20047 [0,2,0,0,0,0|1,0,0]=3 432 B5R0.3 COC(=O)CO 39413 [0,2,0,0,0,0|1,0,0]=3 433 B5R0.3 COC(=O)NN P17509 [0,2,0,0,0,0|2,0,0]=4 434 B5R0.3 COC(=O)SCl D91417 [0,2,0,0,0,0|2,0,0]=4 435 B5R0.3 CON(C)C=O F11046 [0,2,0,0,0,0|1,0,0]=3 436 B5R0.3 CO[C@@H](C)CN 91004 [0,2,0,0,0,0|1,0,1]=4 437 B5R0.3 CO[C@@H](C)CO 29137 [0,2,0,0,0,0|1,0,1]=4 438 B5R0.3 CO[C@@H](C)CO 35966 [0,2,0,0,0,0|1,0,1]=4 439 B5R0.3 CSC(=O)SC D89996 [0,2,0,0,0,0|1,0,0]=3 440 B5R0.3 CS\C(C)=N\O A11022 [0,2,0,0,0,0|1,0,1]=4 441 B5R0.3 C[C@@H](CN)CO 78445 [0,2,0,0,0,0|1,0,1]=4 442 B5R0.3 C[C@@H](CN)CO AB10326 [0,2,0,0,0,0|1,0,1]=4 443 B5R0.3 ClCC(Cl)CCl D97722 [0,2,0,0,0,0|2,0,0]=4 444 B5R0.3 NC(CO)CO F10927 [0,2,0,0,0,0|2,0,0]=4 445 B5R0.3 NCC(O)CN O10345 [0,2,0,0,0,0|1,0,1]=4 446 B5R0.3 NC[C@H](O)CCl 91258 [0,2,0,0,0,0|1,0,1]=4 447 B5R0.3 NC[C@H](O)CCl F14970 [0,2,0,0,0,0|1,0,1]=4 448 B5R0.3 NC[C@H](O)CO 52095 [0,2,0,0,0,0|1,0,1]=4 449 B5R0.3 NC[C@H](O)CO CL4509 [0,2,0,0,0,0|1,0,1]=4 450 B5R0.3 NC[C@H](O)CO H10491 [0,2,0,0,0,0|1,0,1]=4 451 B5R0.3 NNC(=O)CCl F15553 [0,2,0,0,0,0|2,0,0]=4 452 B5R0.3 NNC(=O)CO 71926 [0,2,0,0,0,0|2,0,0]=4 453 B5R0.3 O=C(CBr)CBr 60498 [0,2,0,0,0,0|1,0,0]=3 454 B5R0.3 O=C(CCl)CCl 73299 [0,2,0,0,0,0|1,0,0]=3 455 B5R0.3 O=C(CO)CO S12381 [0,2,0,0,0,0|1,0,0]=3 456 B5R0.3 OC(CBr)CBr 90914 [0,2,0,0,0,0|1,0,1]=4 457 B5R0.3 OCC(O)CO C13300 [0,2,0,0,0,0|1,0,1]=4 458 B5R0.3 OCC(O)CO D92249 [0,2,0,0,0,0|1,0,1]=4 459 B5R0.3 OC[C@H](Cl)CCl D89647 [0,2,0,0,0,0|2,0,0]=4 460 B5R0.3 OC[C@H](O)CBr D84178 [0,2,0,0,0,0|1,0,1]=4 461 B5R0.3 OC[C@H](O)CCl 28070 [0,2,0,0,0,0|1,0,1]=4 462 B5R0.3 OC[C@H](O)CCl 28077 [0,2,0,0,0,0|1,0,1]=4 463 B5R0.3 OC[C@H](O)CS D92320 [0,2,0,0,0,0|1,0,1]=4 464 B5R0.3 OC[C@H](S)CS D89691 [0,2,0,0,0,0|1,1,0]=4 465 B5R0.3 O[C@@H](CCl)CI D79037 [0,2,0,0,0,0|1,0,1]=4 466 B5R0.3 O[C@@H](CCl)CI D79038 [0,2,0,0,0,0|1,0,1]=4 467 B5R0.4 C#CC(C)(C)C F15435 [0,2,0,0,0,0|2,0,0]=4 468 B5R0.4 C#CC(C)(C)Cl 28822 [0,2,0,0,0,0|2,0,0]=4 469 B5R0.4 C#C[Si](C)(C)C 76805 [0,2,0,0,0,0|2,0,0]=4 470 B5R0.4 C=CC(C)(C)C D89799 [0,2,0,0,0,0|2,0,0]=4 471 B5R0.4 C=CS(C)(=O)=O D95725 [0,2,0,0,0,0|0,0,2]=4 472 B5R0.4 C=C[Si](C)(C)C 76807 [0,2,0,0,0,0|2,0,0]=4 473 B5R0.4 CC(C)(Br)C=O A12011 [0,2,0,0,0,0|1,0,0]=3 474 B5R0.4 CC(C)(C)C#N 75299 [0,2,0,0,0,0|2,0,0]=4 475 B5R0.4 CC(C)(C)CBr D78161 [0,2,0,0,0,0|2,0,0]=4 476 B5R0.4 CC(C)(C)CCl D89303 [0,2,0,0,0,0|2,0,0]=4 477 B5R0.4 CC(C)(C)CI AT22032 [0,2,0,0,0,0|2,0,0]=4 478 B5R0.4 CC(C)(C)CN C10662 [0,2,0,0,0,0|2,0,0]=4 479 B5R0.4 CC(C)(C)CN H10567 [0,2,0,0,0,0|2,0,0]=4 480 B5R0.4 CC(C)(C)CO D78368 [0,2,0,0,0,0|1,0,1]=4 481 B5R0.4 CC(C)(C)N=O D95969 [0,2,0,0,0,0|1,0,0]=3 482 B5R0.4 CC(C)(C)NN D70845 [0,2,0,0,0,0|2,0,0]=4 483 B5R0.4 CC(C)(C)NO 77596 [0,2,0,0,0,0|1,0,1]=4 484 B5R0.4 CC(C)(C)NO 77597 [0,2,0,0,0,0|1,0,1]=4 485 B5R0.4 CC(C)(C)ON 29937 [0,2,0,0,0,0|1,0,1]=4 486 B5R0.4 CC(C)(I)C#N T72013 [0,2,0,0,0,0|2,0,0]=4 487 B5R0.4 CC(C)(N)C#N 25525 [0,2,0,0,0,0|2,0,0]=4 488 B5R0.4 CC(C)(N)C#N 28961 [0,2,0,0,0,0|2,0,0]=4 489 B5R0.4 CC(C)(N)CN 22841 [0,2,0,0,0,0|2,0,0]=4 490 B5R0.4 CC(C)(N)CO P20005 [0,2,0,0,0,0|1,0,1]=4 491 B5R0.4 CC(C)(O)CCl 28897 [0,2,0,0,0,0|1,0,1]=4 492 B5R0.4 CC(C)(O)CN 24534 [0,2,0,0,0,0|1,0,1]=4 493 B5R0.4 CC(C)(O)CN 62304 [0,2,0,0,0,0|1,0,1]=4 494 B5R0.4 CC(C)(O)CO 31979 [0,2,0,0,0,0|1,0,1]=4 495 B5R0.4 CC(C)(S)CN 39451 [0,2,0,0,0,0|1,1,0]=4 496 B5R0.4 CC(F)(F)CN 86673 [0,2,0,0,0,0|2,0,0]=4 497 B5R0.4 CC(F)(F)CO 60421 [0,2,0,0,0,0|2,0,0]=4 498 B5R0.4 CCC(C)(C)Br D88670 [0,2,0,0,0,0|2,0,0]=4 499 B5R0.4 CCC(C)(C)[O-] D94775 [0,2,0,0,0,0|1,0,1]=4 500 B5R0.4 CCS(=O)(=O)Cl D78105 [0,2,0,0,0,0|1,0,1]=4 501 B5R0.4 CCS(=O)(=O)O F20396 [0,2,0,0,0,0|1,0,1]=4 502 B5R0.4 CCS(C)(=O)=O A10776 [0,2,0,0,0,0|0,0,1]=3 503 B5R0.4 CCS(N)(=O)=O 35724 [0,2,0,0,0,0|1,0,1]=4 504 B5R0.4 CC[N+](C)(C)C D90453 [0,2,0,0,0,0|2,0,0]=4 505 B5R0.4 CNC(C)(C)C D94509 [0,2,0,0,0,0|2,0,0]=4 506 B5R0.4 CNS(C)(=O)=O AB2915 [0,2,0,0,0,0|0,0,1]=3 507 B5R0.4 COP(=O)(Cl)Cl D91398 [0,2,0,0,0,0|2,0,0]=4 508 B5R0.4 COS(=O)(=O)[O-] D91331 [0,2,0,0,0,0|1,0,1]=4 509 B5R0.4 COS(C)(=O)=O C10631 [0,2,0,0,0,0|0,0,1]=3 510 B5R0.4 CO[Si](C)(C)C D94568 [0,2,0,0,0,0|1,0,1]=4 511 B5R0.4 CSC(C)(C)C D88816 [0,2,0,0,0,0|1,1,0]=4 512 B5R0.4 CSS(C)(=O)=O H10854 [0,2,0,0,0,0|0,0,1]=3 513 B5R0.4 C[Si](C)(C)CBr D88871 [0,2,0,0,0,0|2,0,0]=4 514 B5R0.4 C[Si](C)(C)CI D73359 [0,2,0,0,0,0|2,0,0]=4 515 B5R0.4 C[Si](C)(C)CO S12036 [0,2,0,0,0,0|1,0,1]=4 516 B5R0.4 C[Si](C)(Cl)CBr D88701 [0,2,0,0,0,0|2,0,0]=4 517 B5R0.4 C[Si](C)(Cl)CCl I11126 [0,2,0,0,0,0|2,0,0]=4 518 B5R0.4 C[Si](Cl)(Cl)CCl D89398 [0,2,0,0,0,0|2,0,0]=4 519 B5R0.4 NCP(=O)(O)O 22854 [0,2,0,0,0,0|2,0,0]=4 520 B5R0.4 O=S(=O)([O-])CO D90827 [0,2,0,0,0,0|1,0,1]=4 521 B5R0.4 [C-]#[N+]C(C)(C)C I11390 [0,2,0,0,0,0|2,0,0]=4 522 B5R0.5 C=C(C)C(=C)C F14891 [0,2,0,0,0,0|2,0,0]=4 523 B5R0.5 C=C(C)C(=O)[O-] F16474 [0,2,0,0,0,0|1,0,1]=4 524 B5R0.5 CC(=O)C(=O)[O-] D77796 [0,2,0,0,0,0|1,0,1]=4 525 B5R0.5 CC(=O)C(=O)[O-] D97786 [0,2,0,0,0,0|1,0,1]=4 526 B5R0.5 CC(=O)C(=O)[O-] H10783 [0,2,0,0,0,0|1,0,1]=4 527 B5R0.5 CC(=O)C(=O)[O-] H11289 [0,2,0,0,0,0|1,0,1]=4 528 B5R0.5 CC(=O)C(C)=O W18292 [0,2,0,0,0,0|1,0,0]=3 529 B5R0.5 CC(=O)C(F)F AC1257 [0,2,0,0,0,0|1,0,0]=3 530 B5R0.5 CC(=O)N(C)C D88939 [0,2,0,0,0,0|1,0,0]=3 531 B5R0.5 CC(=O)[C@H](C)Br AT12822 [0,2,0,0,0,0|1,0,0]=3 532 B5R0.5 CC(=O)[C@H](C)S D91540 [0,2,0,0,0,0|1,0,0]=3 533 B5R0.5 CC(Br)C(C)Br D89609 [0,2,0,0,0,0|2,0,0]=4 534 B5R0.5 CC(C)=C(C)Br F16090 [0,2,0,0,0,0|2,0,0]=4 535 B5R0.5 CC(C)B(O)O 33150 [0,2,0,0,0,0|1,0,1]=4 536 B5R0.5 CC(C)C(=N)N 73979 [0,2,0,0,0,0|2,0,0]=4 537 B5R0.5 CC(C)C(=O)[O-] D91080 [0,2,0,0,0,0|1,0,0]=3 538 B5R0.5 CC(C)C(N)=O 28439 [0,2,0,0,0,0|1,0,0]=3 539 B5R0.5 CC(C)C(N)=S 80829 [0,2,0,0,0,0|1,1,0]=4 540 B5R0.5 CC(C)N(C)C D95726 [0,2,0,0,0,0|2,0,0]=4 541 B5R0.5 CC(C)[C@H](C)S D91580 [0,2,0,0,0,0|1,1,0]=4 542 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,2,0,0,0,0|1,0,0]=3 543 B5R0.5 CC(O)C(=O)[O-] F16480 [0,2,0,0,0,0|2,0,0]=4 544 B5R0.5 CC(O)C(C)O F14836 [0,2,0,0,0,0|1,0,1]=4 545 B5R0.5 CC(O)C(C)S D91539 [0,2,0,0,0,0|1,0,1]=4 546 B5R0.5 CC(S)C(C)S D88972 [0,2,0,0,0,0|1,1,0]=4 547 B5R0.5 CN(C)C(=N)N 71016 [0,2,0,0,0,0|2,0,0]=4 548 B5R0.5 CN(C)C(=S)Cl AT19615 [0,2,0,0,0,0|1,1,0]=4 549 B5R0.5 CN(C)C(=S)[S-] D89765 [0,2,0,0,0,0|1,1,0]=4 550 B5R0.5 CN(C)C(N)=O D89723 [0,2,0,0,0,0|1,0,0]=3 551 B5R0.5 CN(C)C(N)=S F19159 [0,2,0,0,0,0|1,1,0]=4 552 B5R0.5 C[C@H](Br)C(=O)Br 13146 [0,2,0,0,0,0|2,0,0]=4 553 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [0,2,0,0,0,0|2,0,0]=4 554 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,2,0,0,0,0|2,0,0]=4 555 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,2,0,0,0,0|2,0,0]=4 556 B5R0.5 C[C@H](Br)C(N)=O D71122 [0,2,0,0,0,0|2,0,0]=4 557 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [0,2,0,0,0,0|2,0,0]=4 558 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,2,0,0,0,0|2,0,0]=4 559 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,2,0,0,0,0|2,0,0]=4 560 B5R0.5 C[C@H](F)C(=O)O N12158 [0,2,0,0,0,0|2,0,0]=4 561 B5R0.5 C[C@H](N)C(=O)O 30773 [0,2,0,0,0,0|2,0,0]=4 562 B5R0.5 C[C@H](N)C(=O)O C75806 [0,2,0,0,0,0|2,0,0]=4 563 B5R0.5 C[C@H](N)C(=O)O D72543 [0,2,0,0,0,0|2,0,0]=4 564 B5R0.5 C[C@H](N)C(=O)O D84362 [0,2,0,0,0,0|2,0,0]=4 565 B5R0.5 C[C@H](N)C(N)=O 23091 [0,2,0,0,0,0|2,0,0]=4 566 B5R0.5 C[C@H](N)C(N)=O 30751 [0,2,0,0,0,0|2,0,0]=4 567 B5R0.5 C[C@H](N)C(N)=O 30913 [0,2,0,0,0,0|2,0,0]=4 568 B5R0.5 C[C@H](N)C(N)=O 34538 [0,2,0,0,0,0|2,0,0]=4 569 B5R0.5 C[C@H](O)C(=O)O D71144 [0,2,0,0,0,0|2,0,0]=4 570 B5R0.5 C[C@H](O)C(=O)O F14892 [0,2,0,0,0,0|2,0,0]=4 571 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,2,0,0,0,0|2,0,0]=4 572 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,2,0,0,0,0|2,0,0]=4 573 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,2,0,0,0,0|2,0,0]=4 574 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,2,0,0,0,0|2,0,0]=4 575 B5R0.5 C[C@H](O)[C@H](C)O C73651 [0,2,0,0,0,0|1,0,1]=4 576 B5R0.5 C[N+](C)=C(Cl)Cl D89890 [0,2,0,0,0,0|2,0,0]=4 577 B5R0.5 NC(=O)C(Cl)Cl D89626 [0,2,0,0,0,0|2,0,0]=4 578 B5R0.5 NC(=O)C(F)F D76959 [0,2,0,0,0,0|2,0,0]=4 579 B5R0.5 O=C(O)C(F)F FD2068 [0,2,0,0,0,0|2,0,0]=4 580 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,2,0,0,0,0|2,0,0]=4 581 B5R0.5 O=C([O-])C(Cl)Cl F12025 [0,2,0,0,0,0|2,0,0]=4 582 B5R1.2 BrC1CCC1 23146 [0,1,0,1,0,0|2,0,0]=4 583 B5R1.2 BrC1CNC1 70950 [0,1,0,1,0,0|2,0,0]=4 584 B5R1.2 BrC1COC1 CS1302 [0,1,0,1,0,0|2,0,0]=4 585 B5R1.2 C=C1CCC1 90960 [0,1,0,1,0,0|2,0,0]=4 586 B5R1.2 CC1CNC1 80306 [0,1,0,1,0,0|2,0,0]=4 587 B5R1.2 C[C@H]1CCN1 86769 [0,1,0,1,0,0|2,0,0]=4 588 B5R1.2 IC1COC1 66502 [0,1,0,1,0,0|2,0,0]=4 589 B5R1.2 NC1CCC1 51600 [0,1,0,1,0,0|2,0,0]=4 590 B5R1.2 NC1CCC1 F10463 [0,1,0,1,0,0|2,0,0]=4 591 B5R1.2 NC1CNC1 SC3251 [0,1,0,1,0,0|2,0,0]=4 592 B5R1.2 NC1COC1 66129 [0,1,0,1,0,0|2,0,0]=4 593 B5R1.2 NC1COC1 CS1335 [0,1,0,1,0,0|2,0,0]=4 594 B5R1.2 O=C1CCC1 24502 [0,1,0,1,0,0|1,0,0]=3 595 B5R1.2 O=C1CCN1 52806 [0,1,0,1,0,0|1,0,0]=3 596 B5R1.2 O=C1CCO1 AT19319 [0,1,0,1,0,0|1,0,0]=3 597 B5R1.2 O=C1CNC1 51063 [0,1,0,1,0,0|1,0,0]=3 598 B5R1.2 O=C1COC1 66386 [0,1,0,1,0,0|1,0,0]=3 599 B5R1.2 O=C1CSC1 BL008272 [0,1,0,1,0,0|1,0,0]=3 600 B5R1.2 OC1CCC1 59166 [0,1,0,1,0,0|1,0,1]=4 601 B5R1.2 OC1CNC1 52824 [0,1,0,1,0,0|1,0,1]=4 602 B5R1.2 OC1COC1 66387 [0,1,0,1,0,0|1,0,1]=4 603 B5R1.2 OC1CSC1 P17229 [0,1,0,1,0,0|1,0,1]=4 604 B5R1.3 BrCC1CC1 23011 [0,1,0,1,0,0|2,0,0]=4 605 B5R1.3 BrC[C@H]1CO1 D87836 [0,1,0,1,0,0|1,0,1]=4 606 B5R1.3 C#CC1CC1 F15427 [0,1,0,1,0,0|2,0,0]=4 607 B5R1.3 CC[C@H]1CO1 A11382 [0,1,0,1,0,0|1,0,1]=4 608 B5R1.3 CNC1CC1 83251 [0,1,0,1,0,0|2,0,0]=4 609 B5R1.3 CNC1CC1 BL006056 [0,1,0,1,0,0|2,0,0]=4 610 B5R1.3 ClCC1CC1 58186 [0,1,0,1,0,0|2,0,0]=4 611 B5R1.3 ClC[C@H]1CO1 37930 [0,1,0,1,0,0|1,0,1]=4 612 B5R1.3 NCC1CC1 F11902 [0,1,0,1,0,0|2,0,0]=4 613 B5R1.3 O=CC1CC1 82833 [0,1,0,1,0,0|1,0,0]=3 614 B5R1.3 OC[C@H]1CO1 23077 [0,1,0,1,0,0|1,0,1]=4 615 B5R1.3 OC[C@H]1CO1 A10767 [0,1,0,1,0,0|1,0,1]=4 616 B5R1.3 OC[C@H]1CO1 H11320 [0,1,0,1,0,0|1,0,1]=4 617 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [0,1,0,1,0,0|2,0,0]=4 618 B5R1.5 CC1(C)CO1 75298 [0,1,0,1,0,0|1,0,1]=4 619 B5R1.5 CC1(N)CC1 26732 [0,1,0,1,0,0|2,0,0]=4