0 B3R0.2 C=C(C)Br 28419 [0,0,0,0,0,0|3,1,0]=4 1 B3R0.2 C=[N+](C)C D89898 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 CB(O)O 26076 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(=O)O 29388 [0,0,0,0,0,0|1,1,0]=2 4 B3R0.2 CC(=O)O C90337 [0,0,0,0,0,0|1,1,0]=2 5 B3R0.2 CC(=O)S D92569 [0,0,0,0,0,0|1,2,0]=3 6 B3R0.2 CC(=O)[O-] 35848 [0,0,0,0,0,0|1,1,1]=3 7 B3R0.2 CC(=O)[O-] AC2542 [0,0,0,0,0,0|1,1,1]=3 8 B3R0.2 CC(=O)[O-] AC2625 [0,0,0,0,0,0|1,1,1]=3 9 B3R0.2 CC(=O)[O-] D70070 [0,0,0,0,0,0|1,1,1]=3 10 B3R0.2 CC(=O)[O-] D74466 [0,0,0,0,0,0|1,1,1]=3 11 B3R0.2 CC(=O)[O-] D74596 [0,0,0,0,0,0|1,1,1]=3 12 B3R0.2 CC(=O)[O-] D77673 [0,0,0,0,0,0|1,1,1]=3 13 B3R0.2 CC(=O)[O-] D77909 [0,0,0,0,0,0|1,1,1]=3 14 B3R0.2 CC(=O)[O-] D78215 [0,0,0,0,0,0|1,1,1]=3 15 B3R0.2 CC(=O)[O-] D78216 [0,0,0,0,0,0|1,1,1]=3 16 B3R0.2 CC(=O)[O-] D81958 [0,0,0,0,0,0|1,1,1]=3 17 B3R0.2 CC(=O)[O-] D84280 [0,0,0,0,0,0|1,1,1]=3 18 B3R0.2 CC(=O)[O-] D88447 [0,0,0,0,0,0|1,1,1]=3 19 B3R0.2 CC(=O)[O-] D91230 [0,0,0,0,0,0|1,1,1]=3 20 B3R0.2 CC(=O)[O-] D95368 [0,0,0,0,0,0|1,1,1]=3 21 B3R0.2 CC(=O)[O-] D95676 [0,0,0,0,0,0|1,1,1]=3 22 B3R0.2 CC(=O)[O-] D95836 [0,0,0,0,0,0|1,1,1]=3 23 B3R0.2 CC(=O)[O-] D95949 [0,0,0,0,0,0|1,1,1]=3 24 B3R0.2 CC(=O)[O-] D95967 [0,0,0,0,0,0|1,1,1]=3 25 B3R0.2 CC(=O)[O-] D95970 [0,0,0,0,0,0|1,1,1]=3 26 B3R0.2 CC(=O)[O-] D97851 [0,0,0,0,0,0|1,1,1]=3 27 B3R0.2 CC(=O)[O-] E70002 [0,0,0,0,0,0|1,1,1]=3 28 B3R0.2 CC(=O)[O-] H10718 [0,0,0,0,0,0|1,1,1]=3 29 B3R0.2 CC(C)Br D87619 [0,0,0,0,0,0|3,1,0]=4 30 B3R0.2 CC(C)N A10746 [0,0,0,0,0,0|3,1,0]=4 31 B3R0.2 CC(C)[O-] T72011 [0,0,0,0,0,0|2,1,1]=4 32 B3R0.2 CC(N)=S D70870 [0,0,0,0,0,0|2,2,0]=4 33 B3R0.2 CN(C)C F19571 [0,0,0,0,0,0|4,0,0]=4 34 B3R0.2 CN(C)N H10568 [0,0,0,0,0,0|4,0,0]=4 35 B3R0.2 CP(C)C D81836 [0,0,0,0,0,0|4,0,0]=4 36 B3R0.2 CP(C)C F20488 [0,0,0,0,0,0|4,0,0]=4 37 B3R0.2 C[PH](C)=O 20677 [0,0,0,0,0,0|3,0,0]=3 38 B3R0.2 C[S+](C)Br D89000 [0,0,0,0,0,0|4,0,0]=4 39 B3R0.2 C[S+](C)C 11523 [0,0,0,0,0,0|4,0,0]=4 40 B3R0.2 C[S@](=O)[O-] 35930 [0,0,0,0,0,0|2,0,1]=3 41 B3R0.2 ClC(Br)Br D89312 [0,0,0,0,0,0|3,1,0]=4 42 B3R0.2 ClC(Cl)Br F17746 [0,0,0,0,0,0|3,1,0]=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|3,1,0]=4 45 B3R0.2 IC(I)I S12111 [0,0,0,0,0,0|3,1,0]=4 46 B3R0.2 N=C(N)Cl 43148 [0,0,0,0,0,0|3,1,0]=4 47 B3R0.2 N=C(N)N AT23545 [0,0,0,0,0,0|3,1,0]=4 48 B3R0.2 NC(=S)S 74779 [0,0,0,0,0,0|1,3,0]=4 49 B3R0.2 NC(N)=O D70446 [0,0,0,0,0,0|2,1,0]=3 50 B3R0.2 O=C(O)O D78214 [0,0,0,0,0,0|0,1,0]=1 51 B3R0.2 O=C([O-])[O-] 29292 [0,0,0,0,0,0|0,1,2]=3 52 B3R0.2 O=C([O-])[O-] AC2635 [0,0,0,0,0,0|0,1,2]=3 53 B3R0.2 O=C([O-])[O-] D95733 [0,0,0,0,0,0|0,1,2]=3 54 B3R0.2 O=C([O-])[O-] H12045 [0,0,0,0,0,0|0,1,2]=3 55 B3R0.2 O=[N+]([O-])[O-] AC2340 [0,0,0,0,0,0|1,0,2]=3 56 B3R0.2 O=[N+]([O-])[O-] D78339 [0,0,0,0,0,0|1,0,2]=3 57 B3R0.2 O=[N+]([O-])[O-] D95172 [0,0,0,0,0,0|1,0,2]=3 58 B3R0.2 O=[N+]([O-])[O-] D95621 [0,0,0,0,0,0|1,0,2]=3 59 B3R0.2 O=[N+]([O-])[O-] D95671 [0,0,0,0,0,0|1,0,2]=3 60 B3R0.2 O=[N+]([O-])[O-] D95736 [0,0,0,0,0,0|1,0,2]=3 61 B3R0.2 O=[N+]([O-])[O-] D95950 [0,0,0,0,0,0|1,0,2]=3 62 B3R0.2 O=[N+]([O-])[O-] D95955 [0,0,0,0,0,0|1,0,2]=3 63 B3R0.2 O=[N+]([O-])[O-] D95968 [0,0,0,0,0,0|1,0,2]=3 64 B3R0.2 O=[N+]([O-])[O-] S10441 [0,0,0,0,0,0|1,0,2]=3 65 B3R0.2 O=[V](=O)[O-] D78051 [0,0,0,0,0,0|1,0,2]=3 66 B3R0.2 OP(O)O F20662 [0,0,0,0,0,0|1,0,1]=2 67 B3R0.2 [O-]P([O-])O AT25587 [0,0,0,0,0,0|1,0,2]=3 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|2,1,0]=4 70 B2R0.1 C=NO 28803 [1,0,0,0,0,0|2,0,0]=3 71 B2R0.1 CC#N 34239 [1,0,0,0,0,0|2,1,0]=4 72 B2R0.1 CC=O D78540 [1,0,0,0,0,0|1,1,0]=3 73 B2R0.1 CC[O-] D78336 [1,0,0,0,0,0|1,1,1]=4 74 B2R0.1 CC[S-] H10136 [1,0,0,0,0,0|1,2,0]=4 75 B2R0.1 CNO 77593 [1,0,0,0,0,0|2,0,0]=3 76 B2R0.1 CON C93493 [1,0,0,0,0,0|3,0,0]=4 77 B2R0.1 C[SnH4+2]C D90313 [1,0,0,0,0,0|3,0,0]=4 78 B2R0.1 C[SnH4+2]C H11302 [1,0,0,0,0,0|3,0,0]=4 79 B2R0.1 ClCI D78022 [1,0,0,0,0,0|2,1,0]=4 80 B2R0.1 N#C[O-] D78243 [1,0,0,0,0,0|1,1,1]=4 81 B2R0.1 N#C[O-] D78265 [1,0,0,0,0,0|1,1,1]=4 82 B2R0.1 N#C[Se-] D94776 [1,0,0,0,0,0|1,2,0]=4 83 B2R0.1 N=CN 78939 [1,0,0,0,0,0|2,1,0]=4 84 B2R0.1 O=CO 43929 [1,0,0,0,0,0|0,1,0]=2 85 B2R0.1 O=CO D78097 [1,0,0,0,0,0|0,1,0]=2 86 B2R0.1 O=C[O-] D95946 [1,0,0,0,0,0|0,1,1]=3 87 B2R0.1 O=N[O-] D95565 [1,0,0,0,0,0|1,0,1]=3 88 B2R0.1 O=[13CH][O-] 41420 [1,0,0,0,0,0|0,1,1]=3 89 B2R0.1 O=[Ge]=O F20443 [1,0,0,0,0,0|0,1,1]=3 90 B2R0.1 O=[Si]=O C13405 [1,0,0,0,0,0|0,0,2]=3 91 B2R0.1 O=[Si]=O D78143 [1,0,0,0,0,0|0,0,2]=3 92 B2R0.1 O=[Te]=O D92683 [1,0,0,0,0,0|1,0,1]=3 93 B2R0.1 OPO AB10327 [1,0,0,0,0,0|1,0,0]=2 94 B2R0.1 [2H]OC D95537 [1,0,0,0,0,0|3,0,0]=4 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|2,1,0]=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|1,1,0]=3 99 B4R0.1 C#CC(C)=O F52495 [0,1,0,0,0,0|2,1,0]=4 100 B4R0.1 C#CC(N)=O BL007595 [0,1,0,0,0,0|2,1,0]=4 101 B4R0.1 C#C[C@H](C)O 55689 [0,1,0,0,0,0|2,1,0]=4 102 B4R0.1 C#C[C@H](C)O F17654 [0,1,0,0,0,0|2,1,0]=4 103 B4R0.1 C=C(Br)CO D84296 [0,1,0,0,0,0|2,1,0]=4 104 B4R0.1 C=C(C)C=O H10713 [0,1,0,0,0,0|2,1,0]=4 105 B4R0.1 C=C(C)CO H10780 [0,1,0,0,0,0|2,1,0]=4 106 B4R0.1 C=CC(=O)[O-] D88317 [0,1,0,0,0,0|1,1,1]=4 107 B4R0.1 C=CC(=O)[O-] H10710 [0,1,0,0,0,0|1,1,1]=4 108 B4R0.1 C=C[C@H](C)O W13854 [0,1,0,0,0,0|2,1,0]=4 109 B4R0.1 CC(=N)NO 74820 [0,1,0,0,0,0|2,1,0]=4 110 B4R0.1 CC(=O)CBr 76485 [0,1,0,0,0,0|2,1,0]=4 111 B4R0.1 CC(=O)CN 24448 [0,1,0,0,0,0|2,1,0]=4 112 B4R0.1 CC(=O)NBr 70825 [0,1,0,0,0,0|2,1,0]=4 113 B4R0.1 CC(=O)NN AB6005 [0,1,0,0,0,0|2,1,0]=4 114 B4R0.1 CC(=O)NO 78370 [0,1,0,0,0,0|1,1,0]=3 115 B4R0.1 CC(C)=NO D70154 [0,1,0,0,0,0|2,1,0]=4 116 B4R0.1 CC(C)NO 77595 [0,1,0,0,0,0|2,1,0]=4 117 B4R0.1 CC(C)ON 77602 [0,1,0,0,0,0|2,1,0]=4 118 B4R0.1 CCB(O)O 33051 [0,1,0,0,0,0|2,0,0]=3 119 B4R0.1 CCC(N)=O O12053 [0,1,0,0,0,0|2,1,0]=4 120 B4R0.1 CC[C@H](C)O 70716 [0,1,0,0,0,0|2,1,0]=4 121 B4R0.1 CC[C@H](C)O 70832 [0,1,0,0,0,0|2,1,0]=4 122 B4R0.1 CC[S@](=O)[O-] F16489 [0,1,0,0,0,0|2,0,1]=4 123 B4R0.1 CN(C)N=O AT21751 [0,1,0,0,0,0|3,0,0]=4 124 B4R0.1 CNC(=O)Cl D81983 [0,1,0,0,0,0|2,1,0]=4 125 B4R0.1 CNC(N)=O AC8061 [0,1,0,0,0,0|2,1,0]=4 126 B4R0.1 COC(=N)N F11253 [0,1,0,0,0,0|2,1,0]=4 127 B4R0.1 COC(=N)N F14927 [0,1,0,0,0,0|2,1,0]=4 128 B4R0.1 COC(=N)N I11503 [0,1,0,0,0,0|2,1,0]=4 129 B4R0.1 COC(Cl)Cl D87753 [0,1,0,0,0,0|2,1,0]=4 130 B4R0.1 COC(N)=O D86342 [0,1,0,0,0,0|1,1,0]=3 131 B4R0.1 COP(Cl)Cl D91399 [0,1,0,0,0,0|3,0,0]=4 132 B4R0.1 CSC(C)=O D82067 [0,1,0,0,0,0|1,2,0]=4 133 B4R0.1 C[C@H](Cl)CO H11590 [0,1,0,0,0,0|2,1,0]=4 134 B4R0.1 C[C@H](Cl)CO O10168 [0,1,0,0,0,0|2,1,0]=4 135 B4R0.1 C[C@H](N)CO 28476 [0,1,0,0,0,0|2,1,0]=4 136 B4R0.1 C[C@H](N)CO 29970 [0,1,0,0,0,0|2,1,0]=4 137 B4R0.1 C[C@H](N)CO 29971 [0,1,0,0,0,0|2,1,0]=4 138 B4R0.1 C[C@H](O)CCl C10666 [0,1,0,0,0,0|2,1,0]=4 139 B4R0.1 C[C@H](O)CCl D87799 [0,1,0,0,0,0|2,1,0]=4 140 B4R0.1 C[C@H](O)CCl H11611 [0,1,0,0,0,0|2,1,0]=4 141 B4R0.1 C[C@H](O)CN 86259 [0,1,0,0,0,0|2,1,0]=4 142 B4R0.1 C[C@H](O)CN 86301 [0,1,0,0,0,0|2,1,0]=4 143 B4R0.1 C[C@H](O)CN A10592 [0,1,0,0,0,0|2,1,0]=4 144 B4R0.1 C[C@H](O)CO A11633 [0,1,0,0,0,0|1,1,0]=3 145 B4R0.1 C[C@H](O)CO A11634 [0,1,0,0,0,0|1,1,0]=3 146 B4R0.1 C\C(N)=N\O 35620 [0,1,0,0,0,0|2,1,0]=4 147 B4R0.1 N=C(N)CO C10100 [0,1,0,0,0,0|2,1,0]=4 148 B4R0.1 NC(=O)CBr 35276 [0,1,0,0,0,0|2,1,0]=4 149 B4R0.1 NC(=O)CI 25452 [0,1,0,0,0,0|2,1,0]=4 150 B4R0.1 NC(=O)CO D77798 [0,1,0,0,0,0|1,1,0]=3 151 B4R0.1 NC(=O)NO A10546 [0,1,0,0,0,0|1,1,0]=3 152 B4R0.1 NCC(=O)O D70890 [0,1,0,0,0,0|1,1,0]=3 153 B4R0.1 NCC(=O)O F21278 [0,1,0,0,0,0|1,1,0]=3 154 B4R0.1 NCC(=O)[O-] D70403 [0,1,0,0,0,0|1,1,1]=4 155 B4R0.1 NCC(=O)[O-] D77927 [0,1,0,0,0,0|1,1,1]=4 156 B4R0.1 NCC(=O)[O-] D84274 [0,1,0,0,0,0|1,1,1]=4 157 B4R0.1 NCC(=O)[O-] D95398 [0,1,0,0,0,0|1,1,1]=4 158 B4R0.1 NCC(N)=O 20652 [0,1,0,0,0,0|2,1,0]=4 159 B4R0.1 NCC(N)=O 58529 [0,1,0,0,0,0|2,1,0]=4 160 B4R0.1 NNC(N)=O D95915 [0,1,0,0,0,0|2,1,0]=4 161 B4R0.1 O=C(Cl)CBr D87897 [0,1,0,0,0,0|2,1,0]=4 162 B4R0.1 O=C(Cl)SCl D89346 [0,1,0,0,0,0|1,2,0]=4 163 B4R0.1 O=C(O)CO D78078 [0,1,0,0,0,0|0,1,0]=2 164 B4R0.1 O=CC(=O)O D70821 [0,1,0,0,0,0|0,1,1]=3 165 B4R0.1 O=CC(=O)O F14188 [0,1,0,0,0,0|0,1,1]=3 166 B4R0.1 O=[N+]([O-])CBr 76484 [0,1,0,0,0,0|2,0,1]=4 167 B4R0.1 OCC(F)F FD2062 [0,1,0,0,0,0|2,1,0]=4 168 B4R0.1 ON=C(Br)Br 80656 [0,1,0,0,0,0|2,1,0]=4 169 B4R0.3 CP(=O)(O)O D95909 [0,1,0,0,0,0|1,0,0]=2 170 B4R0.3 CS(=O)(=O)O AT25153 [0,1,0,0,0,0|1,0,1]=3 171 B4R0.3 CS(=O)(=O)[O-] A11504 [0,1,0,0,0,0|1,0,2]=4 172 B4R0.3 CS(=O)(=O)[O-] D82065 [0,1,0,0,0,0|1,0,2]=4 173 B4R0.3 CS(=O)(=O)[O-] E70319 [0,1,0,0,0,0|1,0,2]=4 174 B4R0.3 CS(=O)(=O)[S-] W18874 [0,1,0,0,0,0|1,1,1]=4 175 B4R0.3 CS(C)(=N)=O F31251 [0,1,0,0,0,0|3,0,0]=4 176 B4R0.3 CS(C)(=O)=O D70240 [0,1,0,0,0,0|2,0,1]=4 177 B4R0.3 CS(N)(=O)=O AC7862 [0,1,0,0,0,0|2,0,1]=4 178 B4R0.3 C[S+](C)(C)=O A11312 [0,1,0,0,0,0|3,0,0]=4 179 B4R0.3 C[S+](C)(C)=O AC7850 [0,1,0,0,0,0|3,0,0]=4 180 B4R0.3 C[S+](C)(C)=O AC8170 [0,1,0,0,0,0|3,0,0]=4 181 B4R0.3 NS(=O)(=O)Cl 30747 [0,1,0,0,0,0|2,0,1]=4 182 B4R0.3 NS(=O)(=O)[O-] D95248 [0,1,0,0,0,0|1,0,2]=4 183 B4R0.3 NS(=O)(=O)[O-] H10675 [0,1,0,0,0,0|1,0,2]=4 184 B4R0.3 NS(N)(=O)=O S12311 [0,1,0,0,0,0|2,0,1]=4 185 B4R0.3 O=Cl(=O)(=O)[O-] D97853 [0,1,0,0,0,0|1,0,2]=4 186 B4R0.3 O=P(O)(F)F D94280 [0,1,0,0,0,0|2,0,0]=3 187 B4R0.3 O=P([O-])([O-])[O-] D78130 [0,1,0,0,0,0|1,0,2]=4 188 B4R0.3 O=P([O-])([O-])[O-] D78139 [0,1,0,0,0,0|1,0,2]=4 189 B4R0.3 O=P([O-])([O-])[O-] H12048 [0,1,0,0,0,0|1,0,2]=4 190 B4R0.3 O=S(=O)(O)O D77746 [0,1,0,0,0,0|1,0,0]=2 191 B4R0.3 O=S(=O)(O)O H11038 [0,1,0,0,0,0|1,0,0]=2 192 B4R0.3 O=S(=O)([O-])O D90622 [0,1,0,0,0,0|1,0,1]=3 193 B4R0.3 O=S(=O)([O-])[O-] AC2339 [0,1,0,0,0,0|1,0,2]=4 194 B4R0.3 O=S(=O)([O-])[O-] AC2544 [0,1,0,0,0,0|1,0,2]=4 195 B4R0.3 O=S(=O)([O-])[O-] C13502 [0,1,0,0,0,0|1,0,2]=4 196 B4R0.3 O=S(=O)([O-])[O-] D95954 [0,1,0,0,0,0|1,0,2]=4 197 B4R0.3 O=S(=O)([O-])[O-] D97195 [0,1,0,0,0,0|1,0,2]=4 198 B4R0.3 O=S(=O)([O-])[O-] D97777 [0,1,0,0,0,0|1,0,2]=4 199 B4R0.3 O=S([O-])([O-])=S D78333 [0,1,0,0,0,0|1,0,2]=4 200 B4R0.3 O=[Mo](=O)(O)O D78107 [0,1,0,0,0,0|1,0,0]=2 201 B4R0.3 O=[Mo](=O)([O-])[O-] A11800 [0,1,0,0,0,0|1,0,2]=4 202 B4R0.3 O=[Os](=O)([O-])[O-] C13967 [0,1,0,0,0,0|1,0,2]=4 203 B4R0.3 O=[W](=O)([O-])[O-] H11589 [0,1,0,0,0,0|1,0,2]=4 204 B4R1.2 OC1CC1 87295 [0,0,0,1,0,0|2,1,0]=4 205 B1R0.1 CN N12122 [2,0,0,0,0,0|1,1,0]=4 206 B1R0.1 C[O-] S11669 [2,0,0,0,0,0|0,1,1]=4 207 B1R0.1 NN D78079 [2,0,0,0,0,0|2,0,0]=4 208 B1R0.1 NO D78016 [2,0,0,0,0,0|1,0,0]=3 209 B1R0.1 [C-]#N D78338 [2,0,0,0,0,0|1,1,0]=4 210 B1R0.1 [C-]#[O+] D80405 [2,0,0,0,0,0|0,1,1]=4 211 B1R0.1 [C-]#[O+] D81839 [2,0,0,0,0,0|0,1,1]=4 212 B1R0.1 [C-]#[O+] D90157 [2,0,0,0,0,0|0,1,1]=4 213 B1R0.1 [C-]#[O+] D94507 [2,0,0,0,0,0|0,1,1]=4 214 B1R0.1 [C-]#[O+] D94520 [2,0,0,0,0,0|0,1,1]=4 215 B1R0.1 [C-]#[O+] D94891 [2,0,0,0,0,0|0,1,1]=4 216 B1R0.1 [C-]#[O+] D95847 [2,0,0,0,0,0|0,1,1]=4 217 B1R0.1 [C-]#[O+] D95860 [2,0,0,0,0,0|0,1,1]=4 218 B3R0.1 CCNO 77594 [1,1,0,0,0,0|1,1,0]=4 219 B3R0.1 CCON 35725 [1,1,0,0,0,0|1,1,0]=4 220 B3R0.1 CNOC 60204 [1,1,0,0,0,0|2,0,0]=4 221 B3R0.1 COCBr D78328 [1,1,0,0,0,0|1,1,0]=4 222 B3R0.1 C\C=N\O F13401 [1,1,0,0,0,0|1,1,0]=4 223 B3R0.1 NCCO F17546 [1,1,0,0,0,0|1,1,0]=4 224 B3R0.1 NCCO P20022 [1,1,0,0,0,0|1,1,0]=4 225 B3R0.1 NNC=O F11944 [1,1,0,0,0,0|1,1,0]=4 226 B5R0.1 C#CCC(=O)O F14007 [0,2,0,0,0,0|1,1,0]=4 227 B5R0.1 C=CCC(=O)O H10768 [0,2,0,0,0,0|1,1,0]=4 228 B5R0.1 CC#CC(=O)O 66664 [0,2,0,0,0,0|1,1,0]=4 229 B5R0.1 CC(=O)CCO 55787 [0,2,0,0,0,0|1,1,0]=4 230 B5R0.1 CC(=O)NCO FD10622 [0,2,0,0,0,0|1,1,0]=4 231 B5R0.1 CC(=O)OCBr A12670 [0,2,0,0,0,0|1,1,0]=4 232 B5R0.1 CC(=O)OCCl D78132 [0,2,0,0,0,0|1,1,0]=4 233 B5R0.1 CC(=O)\C=N\O D72887 [0,2,0,0,0,0|1,1,0]=4 234 B5R0.1 CCCB(O)O 33060 [0,2,0,0,0,0|2,0,0]=4 235 B5R0.1 CCOC(N)=O F21294 [0,2,0,0,0,0|1,1,0]=4 236 B5R0.1 CNCC(=O)O 73735 [0,2,0,0,0,0|1,1,0]=4 237 B5R0.1 CNCC(=O)O AC7804 [0,2,0,0,0,0|1,1,0]=4 238 B5R0.1 COCC(=O)Cl D78222 [0,2,0,0,0,0|1,1,0]=4 239 B5R0.1 COCC(=O)O D77874 [0,2,0,0,0,0|0,1,0]=3 240 B5R0.1 COCC(C)=O D91400 [0,2,0,0,0,0|1,1,0]=4 241 B5R0.1 COCC(N)=O F20983 [0,2,0,0,0,0|1,1,0]=4 242 B5R0.1 COC[C@H](C)O 35103 [0,2,0,0,0,0|1,1,0]=4 243 B5R0.1 COC[C@H](C)O O10158 [0,2,0,0,0,0|1,1,0]=4 244 B5R0.1 CSCC(=O)O F15988 [0,2,0,0,0,0|0,2,0]=4 245 B5R0.1 C[C@H](O)CCO 55765 [0,2,0,0,0,0|1,1,0]=4 246 B5R0.1 C[C@H](O)CCO O10183 [0,2,0,0,0,0|1,1,0]=4 247 B5R0.1 C\C=C\B(O)O I12778 [0,2,0,0,0,0|2,0,0]=4 248 B5R0.1 C\C=C\C(=O)O RB8002 [0,2,0,0,0,0|1,1,0]=4 249 B5R0.1 N#CCC(=O)O P20002 [0,2,0,0,0,0|1,1,0]=4 250 B5R0.1 NOCC(=O)O H11929 [0,2,0,0,0,0|0,1,0]=3 251 B5R0.1 O=C(Cl)OCCl H11933 [0,2,0,0,0,0|1,1,0]=4 252 B5R0.1 O=C(O)CCBr P17146 [0,2,0,0,0,0|1,1,0]=4 253 B5R0.1 O=C(O)CCF 71324 [0,2,0,0,0,0|1,1,0]=4 254 B5R0.1 O=C(O)CCI D91073 [0,2,0,0,0,0|1,1,0]=4 255 B5R0.1 O=C(O)CCO 77998 [0,2,0,0,0,0|0,1,0]=3 256 B5R0.1 O=C(O)CCS AT21041 [0,2,0,0,0,0|0,2,0]=4 257 B5R0.1 O=C(O)\C=C/Cl H10108 [0,2,0,0,0,0|1,1,0]=4 258 B5R0.1 O=[N+]([O-])CCO AC1643 [0,2,0,0,0,0|1,0,1]=4 259 B5R0.3 C#CC(=O)OC P17723 [0,2,0,0,0,0|1,1,0]=4 260 B5R0.3 C=C(CO)CO 35347 [0,2,0,0,0,0|1,1,0]=4 261 B5R0.3 C=C[C@@H](O)CO D79949 [0,2,0,0,0,0|1,1,0]=4 262 B5R0.3 CC(CO)CO D71170 [0,2,0,0,0,0|1,1,0]=4 263 B5R0.3 CCC(=O)CO C75383 [0,2,0,0,0,0|1,1,0]=4 264 B5R0.3 CC[C@H](O)CO C10640 [0,2,0,0,0,0|1,1,0]=4 265 B5R0.3 CC[C@H](O)CO O10222 [0,2,0,0,0,0|1,1,0]=4 266 B5R0.3 CNC(=O)OC 29564 [0,2,0,0,0,0|1,1,0]=4 267 B5R0.3 COC(=O)CN 20047 [0,2,0,0,0,0|1,1,0]=4 268 B5R0.3 COC(=O)CO 39413 [0,2,0,0,0,0|0,1,0]=3 269 B5R0.3 COC(=O)NN P17509 [0,2,0,0,0,0|1,1,0]=4 270 B5R0.3 COC(=O)SCl D91417 [0,2,0,0,0,0|0,2,0]=4 271 B5R0.3 CON(C)C=O F11046 [0,2,0,0,0,0|2,0,0]=4 272 B5R0.3 CO[C@@H](C)CO 29137 [0,2,0,0,0,0|1,1,0]=4 273 B5R0.3 CO[C@@H](C)CO 35966 [0,2,0,0,0,0|1,1,0]=4 274 B5R0.3 NC(CO)CO F10927 [0,2,0,0,0,0|1,1,0]=4 275 B5R0.3 NC[C@H](O)CO 52095 [0,2,0,0,0,0|1,1,0]=4 276 B5R0.3 NC[C@H](O)CO CL4509 [0,2,0,0,0,0|1,1,0]=4 277 B5R0.3 NC[C@H](O)CO H10491 [0,2,0,0,0,0|1,1,0]=4 278 B5R0.3 NNC(=O)CO 71926 [0,2,0,0,0,0|1,1,0]=4 279 B5R0.3 O=C(CO)CO S12381 [0,2,0,0,0,0|0,1,0]=3 280 B5R0.3 OCC(O)CO C13300 [0,2,0,0,0,0|0,1,1]=4 281 B5R0.3 OCC(O)CO D92249 [0,2,0,0,0,0|0,1,1]=4 282 B5R0.3 OC[C@H](O)CBr D84178 [0,2,0,0,0,0|1,1,0]=4 283 B5R0.3 OC[C@H](O)CCl 28070 [0,2,0,0,0,0|1,1,0]=4 284 B5R0.3 OC[C@H](O)CCl 28077 [0,2,0,0,0,0|1,1,0]=4 285 B5R0.3 OC[C@H](O)CS D92320 [0,2,0,0,0,0|0,2,0]=4 286 B5R0.4 C=CP(=O)(O)O AC8342 [0,2,0,0,0,0|1,0,0]=3 287 B5R0.4 CC(C)(O)CO 31979 [0,2,0,0,0,0|1,1,0]=4 288 B5R0.4 CCS(=O)(=O)O F20396 [0,2,0,0,0,0|1,0,1]=4 289 B5R0.4 COP(=O)(Cl)Cl D91398 [0,2,0,0,0,0|2,0,0]=4 290 B5R0.4 COS(=O)(=O)[O-] D91331 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.4 COS(C)(=O)=O C10631 [0,2,0,0,0,0|1,0,1]=4 292 B5R0.4 NCP(=O)(O)O 22854 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.4 NOS(=O)(=O)[O-] D77993 [0,2,0,0,0,0|1,0,1]=4 294 B5R0.4 O=S(=O)([O-])CO D90827 [0,2,0,0,0,0|1,0,1]=4 295 B5R0.5 C=C(Br)C(=O)O AB10359 [0,2,0,0,0,0|1,1,0]=4 296 B5R0.5 C=C(Cl)C(=O)O D93171 [0,2,0,0,0,0|1,1,0]=4 297 B5R0.5 C=C(F)C(=O)O 29128 [0,2,0,0,0,0|1,1,0]=4 298 B5R0.5 CC(C)B(O)O 33150 [0,2,0,0,0,0|2,0,0]=4 299 B5R0.5 CC(O)C(=O)[O-] F16480 [0,2,0,0,0,0|0,1,1]=4 300 B5R0.5 CC(O)C(C)O F14836 [0,2,0,0,0,0|1,1,0]=4 301 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,2,0,0,0,0|1,1,0]=4 302 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,2,0,0,0,0|1,1,0]=4 303 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,2,0,0,0,0|1,1,0]=4 304 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,2,0,0,0,0|1,1,0]=4 305 B5R0.5 C[C@H](F)C(=O)O N12158 [0,2,0,0,0,0|1,1,0]=4 306 B5R0.5 C[C@H](N)C(=O)O 30773 [0,2,0,0,0,0|1,1,0]=4 307 B5R0.5 C[C@H](N)C(=O)O C75806 [0,2,0,0,0,0|1,1,0]=4 308 B5R0.5 C[C@H](N)C(=O)O D72543 [0,2,0,0,0,0|1,1,0]=4 309 B5R0.5 C[C@H](N)C(=O)O D84362 [0,2,0,0,0,0|1,1,0]=4 310 B5R0.5 C[C@H](O)C(=O)O D71144 [0,2,0,0,0,0|0,1,0]=3 311 B5R0.5 C[C@H](O)C(=O)O F14892 [0,2,0,0,0,0|0,1,0]=3 312 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,2,0,0,0,0|0,1,1]=4 313 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,2,0,0,0,0|0,1,1]=4 314 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,2,0,0,0,0|0,1,1]=4 315 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,2,0,0,0,0|1,1,0]=4 316 B5R0.5 C[C@H](O)[C@H](C)O C73651 [0,2,0,0,0,0|1,1,0]=4 317 B5R0.5 NC(=O)C(=O)O A10798 [0,2,0,0,0,0|0,1,1]=4 318 B5R0.5 O=C(O)C(=O)O 35743 [0,2,0,0,0,0|0,1,0]=3 319 B5R0.5 O=C(O)C(=O)O C11246 [0,2,0,0,0,0|0,1,0]=3 320 B5R0.5 O=C(O)C(F)F FD2068 [0,2,0,0,0,0|1,1,0]=4 321 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,2,0,0,0,0|1,1,0]=4 322 B5R0.5 OB(O)B(O)O H10796 [0,2,0,0,0,0|1,0,1]=4 323 B5R1.2 O=C1CCO1 AT19319 [0,1,0,1,0,0|1,1,0]=4 324 B5R1.2 O=C1COC1 66386 [0,1,0,1,0,0|1,1,0]=4 325 B5R1.2 OC1COC1 66387 [0,1,0,1,0,0|1,1,0]=4 326 B5R1.3 OC[C@H]1CO1 23077 [0,1,0,1,0,0|1,1,0]=4 327 B5R1.3 OC[C@H]1CO1 A10767 [0,1,0,1,0,0|1,1,0]=4 328 B5R1.3 OC[C@H]1CO1 H11320 [0,1,0,1,0,0|1,1,0]=4