0 B3R0.1 Br\C=C/Br D89611 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 C#CCBr 28449 [0,0,0,0,0,0|1,0,2]=3 2 B3R0.1 C#CCN 65315 [0,0,0,0,0,0|1,0,2]=3 3 B3R0.1 C#CCN RB8001 [0,0,0,0,0,0|1,0,2]=3 4 B3R0.1 C=CCC F17161 [0,0,0,0,0,0|1,0,1]=2 5 B3R0.1 C=CCI D78530 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.1 C=CC[Pd+] F10003 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.1 CCCN D74104 [0,0,0,0,0,0|1,0,0]=1 8 B3R0.1 CCCN D80322 [0,0,0,0,0,0|1,0,0]=1 9 B3R0.1 CCNC 28743 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.1 CCNC D78313 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.1 CCNN D93746 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.1 CCNO 77594 [0,0,0,0,0,0|1,1,0]=2 13 B3R0.1 CCON 35725 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.1 CCSC D90442 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.1 CNNC F14608 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.1 CNOC 60204 [0,0,0,0,0,0|3,0,0]=3 17 B3R0.1 COCBr D78328 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.1 CSCCl F20413 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.1 C\C=N\O F13401 [0,0,0,0,0,0|1,1,1]=3 20 B3R0.1 ClCCBr D95298 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.1 Cl\C=C\Cl H11307 [0,0,0,0,0,0|2,0,2]=4 22 B3R0.1 FCCI 29129 [0,0,0,0,0,0|2,0,0]=2 23 B3R0.1 ICCI D70963 [0,0,0,0,0,0|2,0,0]=2 24 B3R0.1 N#CCBr D88745 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.1 N#CCF P18220 [0,0,0,0,0,0|2,0,1]=3 26 B3R0.1 N#CCI C10929 [0,0,0,0,0,0|2,0,1]=3 27 B3R0.1 N#CCN 28451 [0,0,0,0,0,0|2,0,1]=3 28 B3R0.1 NCCBr 12331 [0,0,0,0,0,0|2,0,0]=2 29 B3R0.1 NCCCl D70641 [0,0,0,0,0,0|2,0,0]=2 30 B3R0.1 NCCF 22877 [0,0,0,0,0,0|2,0,0]=2 31 B3R0.1 NCCN T72638 [0,0,0,0,0,0|2,0,0]=2 32 B3R0.1 NCCO F17546 [0,0,0,0,0,0|1,1,0]=2 33 B3R0.1 NCCO P20022 [0,0,0,0,0,0|1,1,0]=2 34 B3R0.1 NCCS D70222 [0,0,0,0,0,0|1,0,0]=1 35 B3R0.1 NCCS D88299 [0,0,0,0,0,0|1,0,0]=1 36 B3R0.1 NNC=O F11944 [0,0,0,0,0,0|2,1,1]=4 37 B3R0.1 SCCS D78347 [0,0,0,0,0,0|1,0,0]=1 38 B2R0.1 BrBBr A50014 [1,0,0,0,0,0|3,0,0]=4 39 B2R0.1 BrCI S11031 [1,0,0,0,0,0|2,0,0]=3 40 B2R0.1 C=NO 28803 [1,0,0,0,0,0|1,1,1]=4 41 B2R0.1 CC#N 34239 [1,0,0,0,0,0|1,0,1]=3 42 B2R0.1 CC=O D78540 [1,0,0,0,0,0|0,1,1]=3 43 B2R0.1 CC[O-] D78336 [1,0,0,0,0,0|0,1,0]=2 44 B2R0.1 CC[S-] H10136 [1,0,0,0,0,0|0,0,1]=2 45 B2R0.1 CNO 77593 [1,0,0,0,0,0|1,1,0]=3 46 B2R0.1 CON C93493 [1,0,0,0,0,0|2,0,0]=3 47 B2R0.1 C[SnH4+2]C D90313 [1,0,0,0,0,0|1,0,0]=2 48 B2R0.1 C[SnH4+2]C H11302 [1,0,0,0,0,0|1,0,0]=2 49 B2R0.1 ClCI D78022 [1,0,0,0,0,0|2,0,0]=3 50 B2R0.1 N#C[O-] D78243 [1,0,0,0,0,0|1,1,1]=4 51 B2R0.1 N#C[O-] D78265 [1,0,0,0,0,0|1,1,1]=4 52 B2R0.1 N#C[Se-] D94776 [1,0,0,0,0,0|1,1,1]=4 53 B2R0.1 N=CN 78939 [1,0,0,0,0,0|2,0,1]=4 54 B2R0.1 O=CO 43929 [1,0,0,0,0,0|1,1,1]=4 55 B2R0.1 O=CO D78097 [1,0,0,0,0,0|1,1,1]=4 56 B2R0.1 O=C[O-] D95946 [1,0,0,0,0,0|1,1,1]=4 57 B2R0.1 O=N[O-] D95565 [1,0,0,0,0,0|2,1,0]=4 58 B2R0.1 O=[13CH][O-] 41420 [1,0,0,0,0,0|1,1,1]=4 59 B2R0.1 O=[Ge]=O F20443 [1,0,0,0,0,0|1,2,0]=4 60 B2R0.1 O=[Si]=O C13405 [1,0,0,0,0,0|1,2,0]=4 61 B2R0.1 O=[Si]=O D78143 [1,0,0,0,0,0|1,2,0]=4 62 B2R0.1 O=[Te]=O D92683 [1,0,0,0,0,0|2,1,0]=4 63 B2R0.1 OPO AB10327 [1,0,0,0,0,0|2,1,0]=4 64 B2R0.1 [2H]OC D95537 [1,0,0,0,0,0|2,0,0]=3 65 B2R0.1 [2H]O[2H] H11944 [1,0,0,0,0,0|3,0,0]=4 66 B2R0.1 [BH3-]C#N D77968 [1,0,0,0,0,0|2,0,1]=4 67 B2R0.1 [NH3][Pd+2][NH3] D81862 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 C#CC(C)=O F52495 [0,1,0,0,0,0|1,0,2]=4 69 B4R0.1 C#CC(C)C 22832 [0,1,0,0,0,0|1,0,1]=3 70 B4R0.1 C#C[C@H](C)N P17981 [0,1,0,0,0,0|1,0,1]=3 71 B4R0.1 C#C[C@H](C)O 55689 [0,1,0,0,0,0|1,0,1]=3 72 B4R0.1 C#C[C@H](C)O F17654 [0,1,0,0,0,0|1,0,1]=3 73 B4R0.1 C=C(Br)CBr F15445 [0,1,0,0,0,0|1,0,2]=4 74 B4R0.1 C=C(Br)CO D84296 [0,1,0,0,0,0|0,1,2]=4 75 B4R0.1 C=C(C)C=O H10713 [0,1,0,0,0,0|0,1,2]=4 76 B4R0.1 C=C(C)CBr 29319 [0,1,0,0,0,0|1,0,1]=3 77 B4R0.1 C=C(C)CN 29496 [0,1,0,0,0,0|1,0,1]=3 78 B4R0.1 C=C(C)CO H10780 [0,1,0,0,0,0|0,1,1]=3 79 B4R0.1 C=C(Cl)CCl D97733 [0,1,0,0,0,0|1,0,2]=4 80 B4R0.1 C=C[C@H](C)O W13854 [0,1,0,0,0,0|1,0,1]=3 81 B4R0.1 C=NN(C)C T72047 [0,1,0,0,0,0|3,0,0]=4 82 B4R0.1 CC(=N)NO 74820 [0,1,0,0,0,0|1,1,1]=4 83 B4R0.1 CC(=O)CBr 76485 [0,1,0,0,0,0|1,0,1]=3 84 B4R0.1 CC(=O)CN 24448 [0,1,0,0,0,0|1,0,1]=3 85 B4R0.1 CC(=O)NBr 70825 [0,1,0,0,0,0|2,0,1]=4 86 B4R0.1 CC(=O)NN AB6005 [0,1,0,0,0,0|2,0,1]=4 87 B4R0.1 CC(=O)NO 78370 [0,1,0,0,0,0|1,1,1]=4 88 B4R0.1 CC(C)=CBr 29237 [0,1,0,0,0,0|1,0,2]=4 89 B4R0.1 CC(C)=NO D70154 [0,1,0,0,0,0|1,1,1]=4 90 B4R0.1 CC(C)CN D70621 [0,1,0,0,0,0|1,0,0]=2 91 B4R0.1 CC(C)NN 35766 [0,1,0,0,0,0|2,0,0]=3 92 B4R0.1 CC(C)NN C10400 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.1 CC(C)NO 77595 [0,1,0,0,0,0|1,1,0]=3 94 B4R0.1 CC(C)ON 77602 [0,1,0,0,0,0|2,0,0]=3 95 B4R0.1 CCB(O)O 33051 [0,1,0,0,0,0|1,1,0]=3 96 B4R0.1 CCC(=N)N 65202 [0,1,0,0,0,0|1,0,1]=3 97 B4R0.1 CCC(N)=O O12053 [0,1,0,0,0,0|0,1,1]=3 98 B4R0.1 CCC(N)=S AT14776 [0,1,0,0,0,0|0,0,2]=3 99 B4R0.1 CC[C@H](C)O 70716 [0,1,0,0,0,0|0,1,0]=2 100 B4R0.1 CC[C@H](C)O 70832 [0,1,0,0,0,0|0,1,0]=2 101 B4R0.1 CC[S@](=O)[O-] F16489 [0,1,0,0,0,0|1,1,0]=3 102 B4R0.1 CN(C)C=S 70822 [0,1,0,0,0,0|1,0,2]=4 103 B4R0.1 CN(C)N=O AT21751 [0,1,0,0,0,0|2,1,0]=4 104 B4R0.1 CN=C(N)N D91522 [0,1,0,0,0,0|2,0,1]=4 105 B4R0.1 CNC(=N)N P16886 [0,1,0,0,0,0|2,0,1]=4 106 B4R0.1 CNC(=O)Cl D81983 [0,1,0,0,0,0|1,1,1]=4 107 B4R0.1 CNC(C)C 39417 [0,1,0,0,0,0|2,0,0]=3 108 B4R0.1 CNC(N)=O AC8061 [0,1,0,0,0,0|1,1,1]=4 109 B4R0.1 CNN(C)C 66800 [0,1,0,0,0,0|3,0,0]=4 110 B4R0.1 COC(=N)N F11253 [0,1,0,0,0,0|2,0,1]=4 111 B4R0.1 COC(=N)N F14927 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.1 COC(=N)N I11503 [0,1,0,0,0,0|2,0,1]=4 113 B4R0.1 COC(Cl)Cl D87753 [0,1,0,0,0,0|2,0,0]=3 114 B4R0.1 COC(N)=O D86342 [0,1,0,0,0,0|1,1,1]=4 115 B4R0.1 COP(Cl)Cl D91399 [0,1,0,0,0,0|3,0,0]=4 116 B4R0.1 CSC(=N)N 20543 [0,1,0,0,0,0|2,0,1]=4 117 B4R0.1 CSC(=N)N E70432 [0,1,0,0,0,0|2,0,1]=4 118 B4R0.1 CSC(C)=O D82067 [0,1,0,0,0,0|1,1,1]=4 119 B4R0.1 C[C@H](Br)C#N S12043 [0,1,0,0,0,0|1,0,1]=3 120 B4R0.1 C[C@H](Cl)CO H11590 [0,1,0,0,0,0|0,1,0]=2 121 B4R0.1 C[C@H](Cl)CO O10168 [0,1,0,0,0,0|0,1,0]=2 122 B4R0.1 C[C@H](N)CN 35106 [0,1,0,0,0,0|1,0,0]=2 123 B4R0.1 C[C@H](N)CN P20461 [0,1,0,0,0,0|1,0,0]=2 124 B4R0.1 C[C@H](N)CO 28476 [0,1,0,0,0,0|0,1,0]=2 125 B4R0.1 C[C@H](N)CO 29970 [0,1,0,0,0,0|0,1,0]=2 126 B4R0.1 C[C@H](N)CO 29971 [0,1,0,0,0,0|0,1,0]=2 127 B4R0.1 C[C@H](O)CCl C10666 [0,1,0,0,0,0|1,0,0]=2 128 B4R0.1 C[C@H](O)CCl D87799 [0,1,0,0,0,0|1,0,0]=2 129 B4R0.1 C[C@H](O)CCl H11611 [0,1,0,0,0,0|1,0,0]=2 130 B4R0.1 C[C@H](O)CN 86259 [0,1,0,0,0,0|1,0,0]=2 131 B4R0.1 C[C@H](O)CN 86301 [0,1,0,0,0,0|1,0,0]=2 132 B4R0.1 C[C@H](O)CN A10592 [0,1,0,0,0,0|1,0,0]=2 133 B4R0.1 C[C@H](O)CO A11633 [0,1,0,0,0,0|0,1,0]=2 134 B4R0.1 C[C@H](O)CO A11634 [0,1,0,0,0,0|0,1,0]=2 135 B4R0.1 C[N+](C)=CCl D89427 [0,1,0,0,0,0|2,0,1]=4 136 B4R0.1 C\C(N)=N\O 35620 [0,1,0,0,0,0|1,1,1]=4 137 B4R0.1 FC(F)CI 30620 [0,1,0,0,0,0|2,0,0]=3 138 B4R0.1 N#CC(Cl)Cl D90075 [0,1,0,0,0,0|2,0,1]=4 139 B4R0.1 N=C(N)CCl F11896 [0,1,0,0,0,0|2,0,1]=4 140 B4R0.1 N=C(N)CN 20106 [0,1,0,0,0,0|2,0,1]=4 141 B4R0.1 N=C(N)CO C10100 [0,1,0,0,0,0|1,1,1]=4 142 B4R0.1 NC(=O)CBr 35276 [0,1,0,0,0,0|1,1,1]=4 143 B4R0.1 NC(=O)CI 25452 [0,1,0,0,0,0|1,1,1]=4 144 B4R0.1 NC(=O)CO D77798 [0,1,0,0,0,0|1,1,1]=4 145 B4R0.1 NCC(=O)O D70890 [0,1,0,0,0,0|1,1,1]=4 146 B4R0.1 NCC(=O)O F21278 [0,1,0,0,0,0|1,1,1]=4 147 B4R0.1 NCC(=O)[O-] D70403 [0,1,0,0,0,0|1,1,1]=4 148 B4R0.1 NCC(=O)[O-] D77927 [0,1,0,0,0,0|1,1,1]=4 149 B4R0.1 NCC(=O)[O-] D84274 [0,1,0,0,0,0|1,1,1]=4 150 B4R0.1 NCC(=O)[O-] D95398 [0,1,0,0,0,0|1,1,1]=4 151 B4R0.1 NCC(F)F O10557 [0,1,0,0,0,0|2,0,0]=3 152 B4R0.1 NCC(N)=O 20652 [0,1,0,0,0,0|1,1,1]=4 153 B4R0.1 NCC(N)=O 58529 [0,1,0,0,0,0|1,1,1]=4 154 B4R0.1 O=C(Cl)CBr D87897 [0,1,0,0,0,0|1,1,1]=4 155 B4R0.1 O=C(O)CO D78078 [0,1,0,0,0,0|1,1,1]=4 156 B4R0.1 O=[N+]([O-])CBr 76484 [0,1,0,0,0,0|2,1,0]=4 157 B4R0.1 OCC(F)F FD2062 [0,1,0,0,0,0|1,1,0]=3 158 B4R0.2 C#CCCBr F11435 [0,1,0,0,0,0|1,0,1]=3 159 B4R0.2 C#CCCO 24606 [0,1,0,0,0,0|0,1,1]=3 160 B4R0.2 C#CCNC 76738 [0,1,0,0,0,0|1,0,1]=3 161 B4R0.2 C#CCOC AT19953 [0,1,0,0,0,0|1,0,1]=3 162 B4R0.2 C#CCON D77272 [0,1,0,0,0,0|0,1,2]=4 163 B4R0.2 C=CCCBr D78125 [0,1,0,0,0,0|1,0,1]=3 164 B4R0.2 C=CCCC FD10489 [0,1,0,0,0,0|1,0,0]=2 165 B4R0.2 C=CCCCl 43989 [0,1,0,0,0,0|1,0,1]=3 166 B4R0.2 C=CCCN 68196 [0,1,0,0,0,0|1,0,1]=3 167 B4R0.2 C=CCCO P16638 [0,1,0,0,0,0|0,1,1]=3 168 B4R0.2 C=CCNC F21270 [0,1,0,0,0,0|1,0,1]=3 169 B4R0.2 C=CCNN 72911 [0,1,0,0,0,0|1,0,2]=4 170 B4R0.2 C=CCOC D88491 [0,1,0,0,0,0|1,0,1]=3 171 B4R0.2 C=CCON 77603 [0,1,0,0,0,0|0,1,2]=4 172 B4R0.2 C=CCSC D88380 [0,1,0,0,0,0|0,0,2]=3 173 B4R0.2 C=COCC P19610 [0,1,0,0,0,0|1,0,1]=3 174 B4R0.2 CC#CCBr 75180 [0,1,0,0,0,0|1,0,1]=3 175 B4R0.2 CC#CCO 75486 [0,1,0,0,0,0|0,1,1]=3 176 B4R0.2 CCCNC A10770 [0,1,0,0,0,0|1,0,0]=2 177 B4R0.2 CCCNN C10870 [0,1,0,0,0,0|1,0,0]=2 178 B4R0.2 CCN=C=S D94745 [0,1,0,0,0,0|0,0,2]=3 179 B4R0.2 CCNC=O F19558 [0,1,0,0,0,0|0,1,1]=3 180 B4R0.2 CCNCC D78025 [0,1,0,0,0,0|1,0,0]=2 181 B4R0.2 CCNCC D89842 [0,1,0,0,0,0|1,0,0]=2 182 B4R0.2 CCNCC D90318 [0,1,0,0,0,0|1,0,0]=2 183 B4R0.2 CCNOC D80678 [0,1,0,0,0,0|1,1,0]=3 184 B4R0.2 CCOCCl D89215 [0,1,0,0,0,0|1,0,0]=2 185 B4R0.2 CNCC#N 36732 [0,1,0,0,0,0|1,0,1]=3 186 B4R0.2 CNCCBr F13405 [0,1,0,0,0,0|1,0,0]=2 187 B4R0.2 CNCCCl 71064 [0,1,0,0,0,0|1,0,0]=2 188 B4R0.2 CNCCN D76853 [0,1,0,0,0,0|1,0,0]=2 189 B4R0.2 CNCCN SC1801 [0,1,0,0,0,0|1,0,0]=2 190 B4R0.2 COCC#N 35354 [0,1,0,0,0,0|1,0,1]=3 191 B4R0.2 COCCBr P19803 [0,1,0,0,0,0|1,0,0]=2 192 B4R0.2 COCCN F14847 [0,1,0,0,0,0|1,0,0]=2 193 B4R0.2 CSCC#N D91408 [0,1,0,0,0,0|1,0,1]=3 194 B4R0.2 CSCCBr 79497 [0,1,0,0,0,0|1,0,0]=2 195 B4R0.2 CSCCO 28828 [0,1,0,0,0,0|0,1,0]=2 196 B4R0.2 CSCSC D88765 [0,1,0,0,0,0|1,0,0]=2 197 B4R0.2 CSSSC D90187 [0,1,0,0,0,0|2,0,0]=3 198 B4R0.2 C\C=C/CC D91891 [0,1,0,0,0,0|1,0,1]=3 199 B4R0.2 C\C=C\OC 28751 [0,1,0,0,0,0|0,1,2]=4 200 B4R0.2 ClCCCI AC1314 [0,1,0,0,0,0|1,0,0]=2 201 B4R0.2 Cl\C=C\CCl A11332 [0,1,0,0,0,0|1,0,2]=4 202 B4R0.2 FCCCI S11237 [0,1,0,0,0,0|1,0,0]=2 203 B4R0.2 ICCCI A10836 [0,1,0,0,0,0|1,0,0]=2 204 B4R0.2 N#CCCBr 13138 [0,1,0,0,0,0|1,0,1]=3 205 B4R0.2 N#CCCN D77355 [0,1,0,0,0,0|1,0,1]=3 206 B4R0.2 N#CCCO D77638 [0,1,0,0,0,0|0,1,1]=3 207 B4R0.2 N#CCCS A10937 [0,1,0,0,0,0|0,0,1]=2 208 B4R0.2 NCCCBr AC7868 [0,1,0,0,0,0|1,0,0]=2 209 B4R0.2 NCCCCl D70608 [0,1,0,0,0,0|1,0,0]=2 210 B4R0.2 NCCCO D77871 [0,1,0,0,0,0|0,1,0]=2 211 B4R0.2 NCCON SC1781 [0,1,0,0,0,0|1,1,0]=3 212 B4R0.2 NNCCO D77684 [0,1,0,0,0,0|1,1,0]=3 213 B4R0.2 NOCCO 32348 [0,1,0,0,0,0|1,1,0]=3 214 B4R0.2 OCCCBr 36754 [0,1,0,0,0,0|0,1,0]=2 215 B4R0.2 OCCCF 61100 [0,1,0,0,0,0|0,1,0]=2 216 B4R0.2 OCCCI 75858 [0,1,0,0,0,0|0,1,0]=2 217 B4R0.2 SCCCS F20376 [0,1,0,0,0,0|0,0,0]=1 218 B4R1.1 C1CNC1 29084 [0,0,0,1,0,0|1,0,0]=2 219 B4R1.2 BrC1CC1 55622 [0,0,0,1,0,0|1,0,0]=2 220 B4R1.2 C[C@H]1CS1 D91944 [0,0,0,1,0,0|0,0,0]=1 221 B4R1.2 NC1CC1 P19977 [0,0,0,1,0,0|1,0,0]=2 222 B4R1.2 OC1CC1 87295 [0,0,0,1,0,0|0,1,0]=2 223 B1R0.1 CN N12122 [2,0,0,0,0,0|1,0,0]=3 224 B1R0.1 C[O-] S11669 [2,0,0,0,0,0|0,1,0]=3 225 B1R0.1 NN D78079 [2,0,0,0,0,0|2,0,0]=4 226 B1R0.1 NO D78016 [2,0,0,0,0,0|1,1,0]=4 227 B1R0.1 [C-]#N D78338 [2,0,0,0,0,0|1,0,1]=4 228 B1R0.1 [C-]#[O+] D80405 [2,0,0,0,0,0|0,1,1]=4 229 B1R0.1 [C-]#[O+] D81839 [2,0,0,0,0,0|0,1,1]=4 230 B1R0.1 [C-]#[O+] D90157 [2,0,0,0,0,0|0,1,1]=4 231 B1R0.1 [C-]#[O+] D94507 [2,0,0,0,0,0|0,1,1]=4 232 B1R0.1 [C-]#[O+] D94520 [2,0,0,0,0,0|0,1,1]=4 233 B1R0.1 [C-]#[O+] D94891 [2,0,0,0,0,0|0,1,1]=4 234 B1R0.1 [C-]#[O+] D95847 [2,0,0,0,0,0|0,1,1]=4 235 B1R0.1 [C-]#[O+] D95860 [2,0,0,0,0,0|0,1,1]=4 236 B3R0.2 C=C(C)Br 28419 [1,1,0,0,0,0|0,0,2]=4 237 B3R0.2 C=[N+](C)C D89898 [1,1,0,0,0,0|1,0,0]=3 238 B3R0.2 CB(O)O 26076 [1,1,0,0,0,0|1,1,0]=4 239 B3R0.2 CC(=O)O 29388 [1,1,0,0,0,0|0,1,1]=4 240 B3R0.2 CC(=O)O C90337 [1,1,0,0,0,0|0,1,1]=4 241 B3R0.2 CC(=O)S D92569 [1,1,0,0,0,0|0,0,1]=3 242 B3R0.2 CC(=O)[O-] 35848 [1,1,0,0,0,0|0,1,1]=4 243 B3R0.2 CC(=O)[O-] AC2542 [1,1,0,0,0,0|0,1,1]=4 244 B3R0.2 CC(=O)[O-] AC2625 [1,1,0,0,0,0|0,1,1]=4 245 B3R0.2 CC(=O)[O-] D70070 [1,1,0,0,0,0|0,1,1]=4 246 B3R0.2 CC(=O)[O-] D74466 [1,1,0,0,0,0|0,1,1]=4 247 B3R0.2 CC(=O)[O-] D74596 [1,1,0,0,0,0|0,1,1]=4 248 B3R0.2 CC(=O)[O-] D77673 [1,1,0,0,0,0|0,1,1]=4 249 B3R0.2 CC(=O)[O-] D77909 [1,1,0,0,0,0|0,1,1]=4 250 B3R0.2 CC(=O)[O-] D78215 [1,1,0,0,0,0|0,1,1]=4 251 B3R0.2 CC(=O)[O-] D78216 [1,1,0,0,0,0|0,1,1]=4 252 B3R0.2 CC(=O)[O-] D81958 [1,1,0,0,0,0|0,1,1]=4 253 B3R0.2 CC(=O)[O-] D84280 [1,1,0,0,0,0|0,1,1]=4 254 B3R0.2 CC(=O)[O-] D88447 [1,1,0,0,0,0|0,1,1]=4 255 B3R0.2 CC(=O)[O-] D91230 [1,1,0,0,0,0|0,1,1]=4 256 B3R0.2 CC(=O)[O-] D95368 [1,1,0,0,0,0|0,1,1]=4 257 B3R0.2 CC(=O)[O-] D95676 [1,1,0,0,0,0|0,1,1]=4 258 B3R0.2 CC(=O)[O-] D95836 [1,1,0,0,0,0|0,1,1]=4 259 B3R0.2 CC(=O)[O-] D95949 [1,1,0,0,0,0|0,1,1]=4 260 B3R0.2 CC(=O)[O-] D95967 [1,1,0,0,0,0|0,1,1]=4 261 B3R0.2 CC(=O)[O-] D95970 [1,1,0,0,0,0|0,1,1]=4 262 B3R0.2 CC(=O)[O-] D97851 [1,1,0,0,0,0|0,1,1]=4 263 B3R0.2 CC(=O)[O-] E70002 [1,1,0,0,0,0|0,1,1]=4 264 B3R0.2 CC(=O)[O-] H10718 [1,1,0,0,0,0|0,1,1]=4 265 B3R0.2 CC(C)Br D87619 [1,1,0,0,0,0|0,0,0]=2 266 B3R0.2 CC(C)N A10746 [1,1,0,0,0,0|0,0,0]=2 267 B3R0.2 CC(C)[O-] T72011 [1,1,0,0,0,0|0,0,0]=2 268 B3R0.2 CC(N)=S D70870 [1,1,0,0,0,0|0,0,2]=4 269 B3R0.2 CN(C)C F19571 [1,1,0,0,0,0|1,0,0]=3 270 B3R0.2 CN(C)N H10568 [1,1,0,0,0,0|1,0,0]=3 271 B3R0.2 CP(C)C D81836 [1,1,0,0,0,0|1,0,0]=3 272 B3R0.2 CP(C)C F20488 [1,1,0,0,0,0|1,0,0]=3 273 B3R0.2 C[PH](C)=O 20677 [1,1,0,0,0,0|1,0,0]=3 274 B3R0.2 C[S+](C)Br D89000 [1,1,0,0,0,0|1,0,0]=3 275 B3R0.2 C[S+](C)C 11523 [1,1,0,0,0,0|1,0,0]=3 276 B3R0.2 C[S@](=O)[O-] 35930 [1,1,0,0,0,0|1,1,0]=4 277 B3R0.2 ClC(Br)Br D89312 [1,1,0,0,0,0|2,0,0]=4 278 B3R0.2 ClC(Cl)Br F17746 [1,1,0,0,0,0|2,0,0]=4 279 B3R0.2 FC(Br)Br FD2037 [1,1,0,0,0,0|2,0,0]=4 280 B3R0.2 IC(I)I S12111 [1,1,0,0,0,0|2,0,0]=4 281 B3R0.2 NC(=S)S 74779 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.1 C=C(C)CCBr 80247 [0,2,0,0,0,0|1,0,0]=3 283 B5R0.1 C=C(C)OCC 78535 [0,2,0,0,0,0|1,0,1]=4 284 B5R0.1 C=CCN(C)C D89797 [0,2,0,0,0,0|1,0,1]=4 285 B5R0.1 C=CC[C@H](C)O D92157 [0,2,0,0,0,0|1,0,0]=3 286 B5R0.1 CC(=O)CC#N 88909 [0,2,0,0,0,0|1,0,1]=4 287 B5R0.1 CC(=O)CCCl F20480 [0,2,0,0,0,0|1,0,0]=3 288 B5R0.1 CC(=O)CCO 55787 [0,2,0,0,0,0|0,1,0]=3 289 B5R0.1 CC(=O)NCO FD10622 [0,2,0,0,0,0|0,1,1]=4 290 B5R0.1 CC(=O)OCBr A12670 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.1 CC(=O)OCCl D78132 [0,2,0,0,0,0|1,0,1]=4 292 B5R0.1 CC(C)=CCBr 75658 [0,2,0,0,0,0|1,0,1]=4 293 B5R0.1 CC(C)=CCO F20316 [0,2,0,0,0,0|0,1,1]=4 294 B5R0.1 CC(C)CC#N 30285 [0,2,0,0,0,0|1,0,0]=3 295 B5R0.1 CC(C)CNN 86152 [0,2,0,0,0,0|1,0,0]=3 296 B5R0.1 CC(C)CON H10571 [0,2,0,0,0,0|0,1,0]=3 297 B5R0.1 CC(C)N=C=S 28415 [0,2,0,0,0,0|0,0,2]=4 298 B5R0.1 CC=C[C@H](C)O D84201 [0,2,0,0,0,0|0,1,1]=4 299 B5R0.1 CCCB(O)O 33060 [0,2,0,0,0,0|0,1,0]=3 300 B5R0.1 CCCC(=N)N W10324 [0,2,0,0,0,0|1,0,0]=3 301 B5R0.1 CCCC(=O)[O-] D84277 [0,2,0,0,0,0|0,1,0]=3 302 B5R0.1 CCCC(N)=O D70204 [0,2,0,0,0,0|0,1,0]=3 303 B5R0.1 CCC[C@H](C)N 28967 [0,2,0,0,0,0|1,0,0]=3 304 B5R0.1 CCC[C@H](C)O RB3003 [0,2,0,0,0,0|0,1,0]=3 305 B5R0.1 CCC[C@H](C)O T72186 [0,2,0,0,0,0|0,1,0]=3 306 B5R0.1 CCC[N+](=O)[O-] D97683 [0,2,0,0,0,0|0,1,0]=3 307 B5R0.1 CCNC(C)=O AC2513 [0,2,0,0,0,0|0,1,1]=4 308 B5R0.1 CCNC(C)C D77967 [0,2,0,0,0,0|1,0,0]=3 309 B5R0.1 CCNC(N)=O D95291 [0,2,0,0,0,0|0,1,1]=4 310 B5R0.1 CCOC(=S)[S-] D78138 [0,2,0,0,0,0|0,0,2]=4 311 B5R0.1 CCOC(=S)[S-] D90455 [0,2,0,0,0,0|0,0,2]=4 312 B5R0.1 CCOC(C)=N D70134 [0,2,0,0,0,0|1,0,1]=4 313 B5R0.1 CCOC(N)=O F21294 [0,2,0,0,0,0|0,1,1]=4 314 B5R0.1 CCO[SiH](C)C I11477 [0,2,0,0,0,0|1,1,0]=4 315 B5R0.1 CCSC(=N)N D86401 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.1 CCSC(C)=O H11301 [0,2,0,0,0,0|0,1,1]=4 317 B5R0.1 CC[O+]=C(N)N 35842 [0,2,0,0,0,0|1,0,1]=4 318 B5R0.1 CN(C)CC=O O10521 [0,2,0,0,0,0|0,1,1]=4 319 B5R0.1 CN(C)CCBr O10701 [0,2,0,0,0,0|1,0,0]=3 320 B5R0.1 CN(C)CCCl D77997 [0,2,0,0,0,0|1,0,0]=3 321 B5R0.1 CN(C)CCN S12293 [0,2,0,0,0,0|1,0,0]=3 322 B5R0.1 CN(C)CCS 35911 [0,2,0,0,0,0|0,0,0]=2 323 B5R0.1 CNCC(=O)O 73735 [0,2,0,0,0,0|0,1,1]=4 324 B5R0.1 CNCC(=O)O AC7804 [0,2,0,0,0,0|0,1,1]=4 325 B5R0.1 CNCC(N)=O A11560 [0,2,0,0,0,0|0,1,1]=4 326 B5R0.1 COCC(=N)N 20309 [0,2,0,0,0,0|1,0,1]=4 327 B5R0.1 COCC(=O)Cl D78222 [0,2,0,0,0,0|0,1,1]=4 328 B5R0.1 COCC(=O)O D77874 [0,2,0,0,0,0|0,1,1]=4 329 B5R0.1 COCC(C)=O D91400 [0,2,0,0,0,0|0,1,1]=4 330 B5R0.1 COCC(N)=O F20983 [0,2,0,0,0,0|0,1,1]=4 331 B5R0.1 COC[C@H](C)O 35103 [0,2,0,0,0,0|0,1,0]=3 332 B5R0.1 COC[C@H](C)O O10158 [0,2,0,0,0,0|0,1,0]=3 333 B5R0.1 CSCC(=O)O F15988 [0,2,0,0,0,0|0,1,1]=4 334 B5R0.1 CSCC(N)=O 23231 [0,2,0,0,0,0|0,1,1]=4 335 B5R0.1 CSC[S@](C)=O 63104 [0,2,0,0,0,0|1,0,0]=3 336 B5R0.1 C[C@H](Br)CC#N D88813 [0,2,0,0,0,0|1,0,0]=3 337 B5R0.1 C[C@H](Cl)CCCl D89632 [0,2,0,0,0,0|1,0,0]=3 338 B5R0.1 C[C@H](N)CC#N N12426 [0,2,0,0,0,0|1,0,0]=3 339 B5R0.1 C[C@H](N)CCO 36141 [0,2,0,0,0,0|0,1,0]=3 340 B5R0.1 C[C@H](N)CCO 36142 [0,2,0,0,0,0|0,1,0]=3 341 B5R0.1 C[C@H](N)CCO F11725 [0,2,0,0,0,0|0,1,0]=3 342 B5R0.1 C[C@H](O)CCO 55765 [0,2,0,0,0,0|0,1,0]=3 343 B5R0.1 C[C@H](O)CCO O10183 [0,2,0,0,0,0|0,1,0]=3 344 B5R0.1 C[C@H](O)CNN 71999 [0,2,0,0,0,0|1,0,0]=3 345 B5R0.1 C[NH2+]CC(C)C D91375 [0,2,0,0,0,0|1,0,0]=3 346 B5R0.1 NC(=O)CCBr C16124 [0,2,0,0,0,0|0,1,1]=4 347 B5R0.1 NCCC(N)=O F13534 [0,2,0,0,0,0|0,1,1]=4 348 B5R0.1 O=C(Cl)CCBr D88890 [0,2,0,0,0,0|0,1,1]=4 349 B5R0.1 O=C(O)CCBr P17146 [0,2,0,0,0,0|0,1,1]=4 350 B5R0.1 O=C(O)CCF 71324 [0,2,0,0,0,0|0,1,1]=4 351 B5R0.1 O=C(O)CCI D91073 [0,2,0,0,0,0|0,1,1]=4 352 B5R0.1 O=C(O)CCO 77998 [0,2,0,0,0,0|0,1,1]=4 353 B5R0.1 O=C(O)CCS AT21041 [0,2,0,0,0,0|0,0,1]=3 354 B5R0.1 O=[N+]([O-])CCO AC1643 [0,2,0,0,0,0|1,1,0]=4 355 B5R0.3 C#C[C@@H](O)CC 75224 [0,2,0,0,0,0|0,1,0]=3 356 B5R0.3 C=C(CBr)CBr 21111 [0,2,0,0,0,0|1,0,1]=4 357 B5R0.3 C=C(CCl)CCl 23001 [0,2,0,0,0,0|1,0,1]=4 358 B5R0.3 C=C(CO)CO 35347 [0,2,0,0,0,0|0,1,1]=4 359 B5R0.3 C=C[C@@H](Cl)CCl D89774 [0,2,0,0,0,0|1,0,1]=4 360 B5R0.3 C=C[C@@H](O)CC F15421 [0,2,0,0,0,0|0,1,0]=3 361 B5R0.3 C=C[C@@H](O)CO D79949 [0,2,0,0,0,0|0,1,1]=4 362 B5R0.3 CC(CBr)CBr 90917 [0,2,0,0,0,0|1,0,0]=3 363 B5R0.3 CC(CN)CN T72131 [0,2,0,0,0,0|1,0,0]=3 364 B5R0.3 CC(CO)CO D71170 [0,2,0,0,0,0|0,1,0]=3 365 B5R0.3 CCC(=N)NO 22901 [0,2,0,0,0,0|0,1,1]=4 366 B5R0.3 CCC(=O)CBr F10475 [0,2,0,0,0,0|1,0,0]=3 367 B5R0.3 CCC(=O)CO C75383 [0,2,0,0,0,0|0,1,0]=3 368 B5R0.3 CCC(=O)NC D91338 [0,2,0,0,0,0|0,1,1]=4 369 B5R0.3 CCC(=O)NN 20641 [0,2,0,0,0,0|0,1,1]=4 370 B5R0.3 CCC(Br)CC H11324 [0,2,0,0,0,0|1,0,0]=3 371 B5R0.3 CCC(N)CC S12161 [0,2,0,0,0,0|1,0,0]=3 372 B5R0.3 CCN(C)CC D97580 [0,2,0,0,0,0|1,0,0]=3 373 B5R0.3 CCS(=O)CC D81870 [0,2,0,0,0,0|1,0,0]=3 374 B5R0.3 CC[C@H](Br)CBr D89608 [0,2,0,0,0,0|1,0,0]=3 375 B5R0.3 CC[C@H](C)CBr A10884 [0,2,0,0,0,0|1,0,0]=3 376 B5R0.3 CC[C@H](C)CCl D89411 [0,2,0,0,0,0|1,0,0]=3 377 B5R0.3 CC[C@H](C)CI D80608 [0,2,0,0,0,0|1,0,0]=3 378 B5R0.3 CC[C@H](C)CN F16114 [0,2,0,0,0,0|1,0,0]=3 379 B5R0.3 CC[C@H](C)CO 88664 [0,2,0,0,0,0|0,1,0]=3 380 B5R0.3 CC[C@H](C)CS D91431 [0,2,0,0,0,0|0,0,0]=2 381 B5R0.3 CC[C@H](C)NC D95752 [0,2,0,0,0,0|1,0,0]=3 382 B5R0.3 CC[C@H](C)NN 72197 [0,2,0,0,0,0|1,0,0]=3 383 B5R0.3 CC[C@H](N)CO 23160 [0,2,0,0,0,0|0,1,0]=3 384 B5R0.3 CC[C@H](N)CO D87517 [0,2,0,0,0,0|0,1,0]=3 385 B5R0.3 CC[C@H](N)CO F14569 [0,2,0,0,0,0|0,1,0]=3 386 B5R0.3 CC[C@H](O)CN D97409 [0,2,0,0,0,0|0,1,0]=3 387 B5R0.3 CC[C@H](O)CO C10640 [0,2,0,0,0,0|0,1,0]=3 388 B5R0.3 CC[C@H](O)CO O10222 [0,2,0,0,0,0|0,1,0]=3 389 B5R0.3 CNC(=O)CBr H10939 [0,2,0,0,0,0|1,0,1]=4 390 B5R0.3 CNC(=O)CCl 28994 [0,2,0,0,0,0|1,0,1]=4 391 B5R0.3 CNC(=O)CN AC1534 [0,2,0,0,0,0|1,0,1]=4 392 B5R0.3 CNC(=O)CN FD21644 [0,2,0,0,0,0|1,0,1]=4 393 B5R0.3 CN[C@@H](C)C#N 31879 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.3 COC(=O)CN 20047 [0,2,0,0,0,0|1,0,1]=4 395 B5R0.3 COC(=O)CO 39413 [0,2,0,0,0,0|0,1,1]=4 396 B5R0.3 COC(=O)SCl D91417 [0,2,0,0,0,0|1,0,1]=4 397 B5R0.3 CO[C@@H](C)CN 91004 [0,2,0,0,0,0|1,0,0]=3 398 B5R0.3 CO[C@@H](C)CO 29137 [0,2,0,0,0,0|0,1,0]=3 399 B5R0.3 CO[C@@H](C)CO 35966 [0,2,0,0,0,0|0,1,0]=3 400 B5R0.3 CSC(=O)SC D89996 [0,2,0,0,0,0|1,0,1]=4 401 B5R0.3 C[C@@H](CN)CO 78445 [0,2,0,0,0,0|0,1,0]=3 402 B5R0.3 C[C@@H](CN)CO AB10326 [0,2,0,0,0,0|0,1,0]=3 403 B5R0.3 ClCC(Cl)CCl D97722 [0,2,0,0,0,0|1,0,0]=3 404 B5R0.3 NC(CO)CO F10927 [0,2,0,0,0,0|0,1,0]=3 405 B5R0.3 NCC(O)CN O10345 [0,2,0,0,0,0|1,0,0]=3 406 B5R0.3 NC[C@H](O)CCl 91258 [0,2,0,0,0,0|1,0,0]=3 407 B5R0.3 NC[C@H](O)CCl F14970 [0,2,0,0,0,0|1,0,0]=3 408 B5R0.3 NC[C@H](O)CO 52095 [0,2,0,0,0,0|0,1,0]=3 409 B5R0.3 NC[C@H](O)CO CL4509 [0,2,0,0,0,0|0,1,0]=3 410 B5R0.3 NC[C@H](O)CO H10491 [0,2,0,0,0,0|0,1,0]=3 411 B5R0.3 O=C(CBr)CBr 60498 [0,2,0,0,0,0|1,0,1]=4 412 B5R0.3 O=C(CCl)CCl 73299 [0,2,0,0,0,0|1,0,1]=4 413 B5R0.3 O=C(CO)CO S12381 [0,2,0,0,0,0|0,1,1]=4 414 B5R0.3 OC(CBr)CBr 90914 [0,2,0,0,0,0|1,0,0]=3 415 B5R0.3 OCC(O)CO C13300 [0,2,0,0,0,0|0,1,0]=3 416 B5R0.3 OCC(O)CO D92249 [0,2,0,0,0,0|0,1,0]=3 417 B5R0.3 OC[C@H](Cl)CCl D89647 [0,2,0,0,0,0|0,1,0]=3 418 B5R0.3 OC[C@H](O)CBr D84178 [0,2,0,0,0,0|0,1,0]=3 419 B5R0.3 OC[C@H](O)CCl 28070 [0,2,0,0,0,0|0,1,0]=3 420 B5R0.3 OC[C@H](O)CCl 28077 [0,2,0,0,0,0|0,1,0]=3 421 B5R0.3 OC[C@H](O)CS D92320 [0,2,0,0,0,0|0,0,0]=2 422 B5R0.3 OC[C@H](S)CS D89691 [0,2,0,0,0,0|0,0,0]=2 423 B5R0.3 O[C@@H](CCl)CI D79037 [0,2,0,0,0,0|1,0,0]=3 424 B5R0.3 O[C@@H](CCl)CI D79038 [0,2,0,0,0,0|1,0,0]=3 425 B5R0.4 C#CC(C)(C)C F15435 [0,2,0,0,0,0|1,0,1]=4 426 B5R0.4 C#CC(C)(C)Cl 28822 [0,2,0,0,0,0|1,0,1]=4 427 B5R0.4 C=CC(C)(C)C D89799 [0,2,0,0,0,0|1,0,1]=4 428 B5R0.4 CC(C)(Br)C=O A12011 [0,2,0,0,0,0|0,1,1]=4 429 B5R0.4 CC(C)(C)C#N 75299 [0,2,0,0,0,0|1,0,1]=4 430 B5R0.4 CC(C)(C)CBr D78161 [0,2,0,0,0,0|1,0,0]=3 431 B5R0.4 CC(C)(C)CCl D89303 [0,2,0,0,0,0|1,0,0]=3 432 B5R0.4 CC(C)(C)CI AT22032 [0,2,0,0,0,0|1,0,0]=3 433 B5R0.4 CC(C)(C)CN C10662 [0,2,0,0,0,0|1,0,0]=3 434 B5R0.4 CC(C)(C)CN H10567 [0,2,0,0,0,0|1,0,0]=3 435 B5R0.4 CC(C)(C)CO D78368 [0,2,0,0,0,0|0,1,0]=3 436 B5R0.4 CC(C)(C)N=O D95969 [0,2,0,0,0,0|1,1,0]=4 437 B5R0.4 CC(C)(C)NN D70845 [0,2,0,0,0,0|2,0,0]=4 438 B5R0.4 CC(C)(C)NO 77596 [0,2,0,0,0,0|1,1,0]=4 439 B5R0.4 CC(C)(C)NO 77597 [0,2,0,0,0,0|1,1,0]=4 440 B5R0.4 CC(C)(C)ON 29937 [0,2,0,0,0,0|2,0,0]=4 441 B5R0.4 CC(C)(I)C#N T72013 [0,2,0,0,0,0|1,0,1]=4 442 B5R0.4 CC(C)(N)C#N 25525 [0,2,0,0,0,0|1,0,1]=4 443 B5R0.4 CC(C)(N)C#N 28961 [0,2,0,0,0,0|1,0,1]=4 444 B5R0.4 CC(C)(N)CN 22841 [0,2,0,0,0,0|1,0,0]=3 445 B5R0.4 CC(C)(N)CO P20005 [0,2,0,0,0,0|0,1,0]=3 446 B5R0.4 CC(C)(O)CCl 28897 [0,2,0,0,0,0|1,0,0]=3 447 B5R0.4 CC(C)(O)CN 24534 [0,2,0,0,0,0|1,0,0]=3 448 B5R0.4 CC(C)(O)CN 62304 [0,2,0,0,0,0|1,0,0]=3 449 B5R0.4 CC(C)(O)CO 31979 [0,2,0,0,0,0|0,1,0]=3 450 B5R0.4 CC(C)(S)CN 39451 [0,2,0,0,0,0|1,0,0]=3 451 B5R0.4 CC(F)(F)CN 86673 [0,2,0,0,0,0|1,0,0]=3 452 B5R0.4 CC(F)(F)CO 60421 [0,2,0,0,0,0|0,1,0]=3 453 B5R0.4 CCC(C)(C)Br D88670 [0,2,0,0,0,0|1,0,0]=3 454 B5R0.4 CCC(C)(C)[O-] D94775 [0,2,0,0,0,0|0,1,0]=3 455 B5R0.4 CCS(=O)(=O)Cl D78105 [0,2,0,0,0,0|1,1,0]=4 456 B5R0.4 CCS(=O)(=O)O F20396 [0,2,0,0,0,0|1,1,0]=4 457 B5R0.4 CCS(C)(=O)=O A10776 [0,2,0,0,0,0|1,1,0]=4 458 B5R0.4 CCS(N)(=O)=O 35724 [0,2,0,0,0,0|1,1,0]=4 459 B5R0.4 CC[B-](F)(F)F W17601 [0,2,0,0,0,0|2,0,0]=4 460 B5R0.4 CC[N+](C)(C)C D90453 [0,2,0,0,0,0|2,0,0]=4 461 B5R0.4 CNC(C)(C)C D94509 [0,2,0,0,0,0|2,0,0]=4 462 B5R0.4 CSC(C)(C)C D88816 [0,2,0,0,0,0|2,0,0]=4 463 B5R0.4 C[Si](C)(C)CBr D88871 [0,2,0,0,0,0|1,1,0]=4 464 B5R0.4 C[Si](C)(C)CI D73359 [0,2,0,0,0,0|1,1,0]=4 465 B5R0.4 C[Si](C)(C)CO S12036 [0,2,0,0,0,0|0,2,0]=4 466 B5R0.4 C[Si](C)(Cl)CBr D88701 [0,2,0,0,0,0|1,1,0]=4 467 B5R0.4 C[Si](C)(Cl)CCl I11126 [0,2,0,0,0,0|1,1,0]=4 468 B5R0.4 C[Si](Cl)(Cl)CCl D89398 [0,2,0,0,0,0|1,1,0]=4 469 B5R0.4 FC(F)(F)CBr 29125 [0,2,0,0,0,0|2,0,0]=4 470 B5R0.4 FC(F)(F)CI FD2058 [0,2,0,0,0,0|2,0,0]=4 471 B5R0.4 NCC(F)(F)F FD2009 [0,2,0,0,0,0|2,0,0]=4 472 B5R0.4 NCC(F)(F)F FD2012 [0,2,0,0,0,0|2,0,0]=4 473 B5R0.4 OCC(Br)(Br)Br D87616 [0,2,0,0,0,0|1,1,0]=4 474 B5R0.4 OCC(Cl)(Cl)Cl D70779 [0,2,0,0,0,0|1,1,0]=4 475 B5R0.4 OCC(F)(F)F C93508 [0,2,0,0,0,0|1,1,0]=4 476 B5R0.4 [C-]#[N+]C(C)(C)C I11390 [0,2,0,0,0,0|2,0,0]=4 477 B5R0.5 BrC(Br)C(Br)Br D97681 [0,2,0,0,0,0|2,0,0]=4 478 B5R0.5 CC(=O)C(F)F AC1257 [0,2,0,0,0,0|1,0,1]=4 479 B5R0.5 CC(=O)[C@H](C)Br AT12822 [0,2,0,0,0,0|0,1,1]=4 480 B5R0.5 CC(=O)[C@H](C)S D91540 [0,2,0,0,0,0|0,0,1]=3 481 B5R0.5 CC(Br)C(C)Br D89609 [0,2,0,0,0,0|1,0,0]=3 482 B5R0.5 CC(C)B(O)O 33150 [0,2,0,0,0,0|1,1,0]=4 483 B5R0.5 CC(C)C(=N)N 73979 [0,2,0,0,0,0|1,0,1]=4 484 B5R0.5 CC(C)C(=O)[O-] D91080 [0,2,0,0,0,0|0,1,1]=4 485 B5R0.5 CC(C)C(N)=O 28439 [0,2,0,0,0,0|0,1,1]=4 486 B5R0.5 CC(C)C(N)=S 80829 [0,2,0,0,0,0|0,0,2]=4 487 B5R0.5 CC(C)N(C)C D95726 [0,2,0,0,0,0|2,0,0]=4 488 B5R0.5 CC(C)[C@H](C)S D91580 [0,2,0,0,0,0|0,0,0]=2 489 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,2,0,0,0,0|1,1,0]=4 490 B5R0.5 CC(O)C(=O)[O-] F16480 [0,2,0,0,0,0|0,1,1]=4 491 B5R0.5 CC(O)C(C)O F14836 [0,2,0,0,0,0|0,1,0]=3 492 B5R0.5 CC(O)C(C)S D91539 [0,2,0,0,0,0|0,0,0]=2 493 B5R0.5 CC(S)C(C)S D88972 [0,2,0,0,0,0|0,0,0]=2 494 B5R0.5 C[C@H](Br)C(=O)Br 13146 [0,2,0,0,0,0|0,1,1]=4 495 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [0,2,0,0,0,0|0,1,1]=4 496 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,2,0,0,0,0|0,1,1]=4 497 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,2,0,0,0,0|0,1,1]=4 498 B5R0.5 C[C@H](Br)C(N)=O D71122 [0,2,0,0,0,0|0,1,1]=4 499 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [0,2,0,0,0,0|0,1,1]=4 500 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,2,0,0,0,0|0,1,1]=4 501 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,2,0,0,0,0|0,1,1]=4 502 B5R0.5 C[C@H](F)C(=O)O N12158 [0,2,0,0,0,0|0,1,1]=4 503 B5R0.5 C[C@H](N)C(=O)O 30773 [0,2,0,0,0,0|0,1,1]=4 504 B5R0.5 C[C@H](N)C(=O)O C75806 [0,2,0,0,0,0|0,1,1]=4 505 B5R0.5 C[C@H](N)C(=O)O D72543 [0,2,0,0,0,0|0,1,1]=4 506 B5R0.5 C[C@H](N)C(=O)O D84362 [0,2,0,0,0,0|0,1,1]=4 507 B5R0.5 C[C@H](N)C(N)=O 23091 [0,2,0,0,0,0|0,1,1]=4 508 B5R0.5 C[C@H](N)C(N)=O 30751 [0,2,0,0,0,0|0,1,1]=4 509 B5R0.5 C[C@H](N)C(N)=O 30913 [0,2,0,0,0,0|0,1,1]=4 510 B5R0.5 C[C@H](N)C(N)=O 34538 [0,2,0,0,0,0|0,1,1]=4 511 B5R0.5 C[C@H](O)C(=O)O D71144 [0,2,0,0,0,0|0,1,1]=4 512 B5R0.5 C[C@H](O)C(=O)O F14892 [0,2,0,0,0,0|0,1,1]=4 513 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,2,0,0,0,0|0,1,1]=4 514 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,2,0,0,0,0|0,1,1]=4 515 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,2,0,0,0,0|0,1,1]=4 516 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,2,0,0,0,0|0,1,1]=4 517 B5R0.5 C[C@H](O)[C@H](C)O C73651 [0,2,0,0,0,0|0,1,0]=3 518 B5R0.2 BrCCCCBr D77910 [0,2,0,0,0,0|1,0,0]=3 519 B5R0.2 BrC\C=C\CBr D72529 [0,2,0,0,0,0|1,0,1]=4 520 B5R0.2 BrC\C=C\CBr F16803 [0,2,0,0,0,0|1,0,1]=4 521 B5R0.2 C#CCCCC 75209 [0,2,0,0,0,0|1,0,0]=3 522 B5R0.2 C#CCCCCl 76259 [0,2,0,0,0,0|1,0,0]=3 523 B5R0.2 C#CCCCO 32105 [0,2,0,0,0,0|0,1,0]=3 524 B5R0.2 C=CCCCBr 78391 [0,2,0,0,0,0|1,0,0]=3 525 B5R0.2 C=CCCCCl O11411 [0,2,0,0,0,0|1,0,0]=3 526 B5R0.2 C=CCCCN 68255 [0,2,0,0,0,0|1,0,0]=3 527 B5R0.2 C=CCCCN 86153 [0,2,0,0,0,0|1,0,0]=3 528 B5R0.2 C=CCCCO 76184 [0,2,0,0,0,0|0,1,0]=3 529 B5R0.2 C=CCSSC D88486 [0,2,0,0,0,0|0,0,2]=4 530 B5R0.2 C=COCCO D78209 [0,2,0,0,0,0|0,1,1]=4 531 B5R0.2 CCC#CCO F19221 [0,2,0,0,0,0|0,1,0]=3 532 B5R0.2 CCCCNN F17594 [0,2,0,0,0,0|1,0,0]=3 533 B5R0.2 CCCCON H11431 [0,2,0,0,0,0|0,1,0]=3 534 B5R0.2 CCCNCC F21346 [0,2,0,0,0,0|1,0,0]=3 535 B5R0.2 CCNCCN AB11316 [0,2,0,0,0,0|1,0,0]=3 536 B5R0.2 CCNCCO 20098 [0,2,0,0,0,0|0,1,0]=3 537 B5R0.2 CCOCCCl 29431 [0,2,0,0,0,0|1,0,0]=3 538 B5R0.2 CCSCCCl D89330 [0,2,0,0,0,0|1,0,0]=3 539 B5R0.2 CCSSCC D89662 [0,2,0,0,0,0|1,0,0]=3 540 B5R0.2 CC\C=C\C#N D92033 [0,2,0,0,0,0|1,0,1]=4 541 B5R0.2 CC\C=C\C=O 11553 [0,2,0,0,0,0|0,1,1]=4 542 B5R0.2 CNCCC#N 75878 [0,2,0,0,0,0|1,0,0]=3 543 B5R0.2 CNCCCCl F16501 [0,2,0,0,0,0|1,0,0]=3 544 B5R0.2 CNCCCN 37144 [0,2,0,0,0,0|1,0,0]=3 545 B5R0.2 CNCCCO 36133 [0,2,0,0,0,0|0,1,0]=3 546 B5R0.2 CNCCNC 39416 [0,2,0,0,0,0|1,0,0]=3 547 B5R0.2 CNCCOC D70346 [0,2,0,0,0,0|0,1,0]=3 548 B5R0.2 CNCCSC AC2521 [0,2,0,0,0,0|0,0,0]=2 549 B5R0.2 COCCC#N D71223 [0,2,0,0,0,0|1,0,0]=3 550 B5R0.2 COCCCBr F11235 [0,2,0,0,0,0|0,1,0]=3 551 B5R0.2 COCCCCl H11766 [0,2,0,0,0,0|0,1,0]=3 552 B5R0.2 COCCCN D81053 [0,2,0,0,0,0|0,1,0]=3 553 B5R0.2 COCCNN 72234 [0,2,0,0,0,0|1,0,0]=3 554 B5R0.2 COCCOC D81126 [0,2,0,0,0,0|0,1,0]=3 555 B5R0.2 COCCOC D83907 [0,2,0,0,0,0|0,1,0]=3 556 B5R0.2 COCCOC F16635 [0,2,0,0,0,0|0,1,0]=3 557 B5R0.2 COCCON D82747 [0,2,0,0,0,0|0,1,0]=3 558 B5R0.2 CSCCCO 79218 [0,2,0,0,0,0|0,0,0]=2 559 B5R0.2 CSCCC[NH3+] D91382 [0,2,0,0,0,0|0,0,0]=2 560 B5R0.2 C\C=C/CCC D90857 [0,2,0,0,0,0|1,0,0]=3 561 B5R0.2 ClCC#CCCl H11321 [0,2,0,0,0,0|1,0,1]=4 562 B5R0.2 ClCCCCBr F11271 [0,2,0,0,0,0|1,0,0]=3 563 B5R0.2 ClCCCCI A10998 [0,2,0,0,0,0|1,0,0]=3 564 B5R0.2 ClCCOCCl 29087 [0,2,0,0,0,0|1,0,0]=3 565 B5R0.2 FCCCCBr D87758 [0,2,0,0,0,0|1,0,0]=3 566 B5R0.2 ICCCCI AC1274 [0,2,0,0,0,0|1,0,0]=3 567 B5R0.2 N#CCCCBr 35256 [0,2,0,0,0,0|1,0,0]=3 568 B5R0.2 N#CCCCCl 20443 [0,2,0,0,0,0|1,0,0]=3 569 B5R0.2 N#CCCNN F12186 [0,2,0,0,0,0|1,0,1]=4 570 B5R0.2 NCCCCBr 24475 [0,2,0,0,0,0|1,0,0]=3 571 B5R0.2 NCCCCN F17678 [0,2,0,0,0,0|1,0,0]=3 572 B5R0.2 NCCCCN N11902 [0,2,0,0,0,0|1,0,0]=3 573 B5R0.2 NCCCCO 51530 [0,2,0,0,0,0|0,1,0]=3 574 B5R0.2 NC\C=C/CCl C11378 [0,2,0,0,0,0|1,0,1]=4 575 B5R0.2 O=C=NCCCl D91119 [0,2,0,0,0,0|0,1,1]=4 576 B5R0.2 OCCCCBr 54526 [0,2,0,0,0,0|0,1,0]=3 577 B5R0.2 OCCCCCl F11085 [0,2,0,0,0,0|0,1,0]=3 578 B5R0.2 OCCCCI D81265 [0,2,0,0,0,0|0,1,0]=3 579 B5R0.2 OCCNCO D91013 [0,2,0,0,0,0|0,1,0]=3 580 B5R0.2 OC\C=C/CO D70059 [0,2,0,0,0,0|0,1,1]=4 581 B5R0.2 OC\C=C\CO 70835 [0,2,0,0,0,0|0,1,1]=4 582 B5R0.2 [N-]=[N+]=NCCO A12080 [0,2,0,0,0,0|1,1,0]=4 583 B5R1.2 BrC1CCC1 23146 [0,1,0,1,0,0|1,0,0]=3 584 B5R1.2 BrC1CNC1 70950 [0,1,0,1,0,0|1,0,0]=3 585 B5R1.2 BrC1COC1 CS1302 [0,1,0,1,0,0|0,1,0]=3 586 B5R1.2 C=C1CCC1 90960 [0,1,0,1,0,0|1,0,0]=3 587 B5R1.2 CC1CNC1 80306 [0,1,0,1,0,0|1,0,0]=3 588 B5R1.2 C[C@H]1CCN1 86769 [0,1,0,1,0,0|1,0,0]=3 589 B5R1.2 IC1COC1 66502 [0,1,0,1,0,0|0,1,0]=3 590 B5R1.2 NC1CCC1 51600 [0,1,0,1,0,0|1,0,0]=3 591 B5R1.2 NC1CCC1 F10463 [0,1,0,1,0,0|1,0,0]=3 592 B5R1.2 NC1CNC1 SC3251 [0,1,0,1,0,0|1,0,0]=3 593 B5R1.2 NC1COC1 66129 [0,1,0,1,0,0|0,1,0]=3 594 B5R1.2 NC1COC1 CS1335 [0,1,0,1,0,0|0,1,0]=3 595 B5R1.2 O=C1CCC1 24502 [0,1,0,1,0,0|0,1,0]=3 596 B5R1.2 O=C1CCN1 52806 [0,1,0,1,0,0|0,1,1]=4 597 B5R1.2 O=C1CCO1 AT19319 [0,1,0,1,0,0|0,1,1]=4 598 B5R1.2 O=C1CNC1 51063 [0,1,0,1,0,0|0,1,1]=4 599 B5R1.2 O=C1COC1 66386 [0,1,0,1,0,0|0,1,1]=4 600 B5R1.2 O=C1CSC1 BL008272 [0,1,0,1,0,0|0,0,1]=3 601 B5R1.2 OC1CCC1 59166 [0,1,0,1,0,0|0,1,0]=3 602 B5R1.2 OC1CNC1 52824 [0,1,0,1,0,0|0,1,0]=3 603 B5R1.2 OC1COC1 66387 [0,1,0,1,0,0|0,1,0]=3 604 B5R1.2 OC1CSC1 P17229 [0,1,0,1,0,0|0,0,0]=2 605 B5R1.3 BrCC1CC1 23011 [0,1,0,1,0,0|1,0,0]=3 606 B5R1.3 BrC[C@H]1CO1 D87836 [0,1,0,1,0,0|0,1,0]=3 607 B5R1.3 C#CC1CC1 F15427 [0,1,0,1,0,0|1,0,0]=3 608 B5R1.3 C=C[C@@H]1CO1 D90487 [0,1,0,1,0,0|0,1,1]=4 609 B5R1.3 CC[C@H]1CO1 A11382 [0,1,0,1,0,0|0,1,0]=3 610 B5R1.3 CNC1CC1 83251 [0,1,0,1,0,0|1,0,0]=3 611 B5R1.3 CNC1CC1 BL006056 [0,1,0,1,0,0|1,0,0]=3 612 B5R1.3 ClCC1CC1 58186 [0,1,0,1,0,0|1,0,0]=3 613 B5R1.3 ClC[C@H]1CO1 37930 [0,1,0,1,0,0|0,1,0]=3 614 B5R1.3 NCC1CC1 F11902 [0,1,0,1,0,0|1,0,0]=3 615 B5R1.3 O=CC1CC1 82833 [0,1,0,1,0,0|0,1,0]=3 616 B5R1.3 OC[C@H]1CO1 23077 [0,1,0,1,0,0|0,1,0]=3 617 B5R1.3 OC[C@H]1CO1 A10767 [0,1,0,1,0,0|0,1,0]=3 618 B5R1.3 OC[C@H]1CO1 H11320 [0,1,0,1,0,0|0,1,0]=3 619 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [0,1,0,1,0,0|1,0,0]=3 620 B5R1.5 CC1(C)CO1 75298 [0,1,0,1,0,0|0,1,0]=3 621 B5R1.5 CC1(N)CC1 26732 [0,1,0,1,0,0|1,0,0]=3 622 B5R1.1 C1=CCNC1 23121 [0,1,0,1,0,0|1,0,1]=4 623 B5R1.1 C1=CCNC1 39302 [0,1,0,1,0,0|1,0,1]=4 624 B5R1.1 C1=CCOC1 F11214 [0,1,0,1,0,0|0,1,1]=4 625 B5R1.1 C1CCNC1 A12343 [0,1,0,1,0,0|1,0,0]=3 626 B5R1.1 C1CCNC1 D95438 [0,1,0,1,0,0|1,0,0]=3 627 B5R1.1 C1CCOC1 D97750 [0,1,0,1,0,0|0,1,0]=3 628 B5R1.1 C1CNOC1 72098 [0,1,0,1,0,0|0,1,0]=3 629 B5R1.1 C1COCO1 D89731 [0,1,0,1,0,0|0,1,0]=3 630 B5R1.1 C1CSCN1 H10192 [0,1,0,1,0,0|0,0,0]=2 631 B5R1.1 C1CSCN1 H11361 [0,1,0,1,0,0|0,0,0]=2