0 B3R0.2 CC(=N)N 2825466 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 CC(=N)S 22430621 [0,0,0,0,0,0|1,1,0]=2 2 B3R0.2 CC(=O)O 22430651 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(=O)O 2825250 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)O 2825650 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)S 6057532 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 CC(=O)[O-] 22430506 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.2 CC(C)Br 2826201 [0,0,0,0,0,0|3,0,1]=4 8 B3R0.2 CC(C)Cl 8563287 [0,0,0,0,0,0|3,0,1]=4 9 B3R0.2 CC(C)I 2843704 [0,0,0,0,0,0|3,0,1]=4 10 B3R0.2 CC(C)N 22430489 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.2 CC(C)N 2825248 [0,0,0,0,0,0|2,0,1]=3 12 B3R0.2 CC(C)S 2816601 [0,0,0,0,0,0|2,1,1]=4 13 B3R0.2 CC(N)=O 2825246 [0,0,0,0,0,0|1,0,1]=2 14 B3R0.2 CC(N)=S 2043866 [0,0,0,0,0,0|1,1,0]=2 15 B3R0.2 CN(C)N 1778527 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.2 C[N+](=O)[O-] 6057031 [0,0,0,0,0,0|3,0,1]=4 17 B3R0.2 C[S+](C)C 22430468 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.2 N=C(N)N 22430389 [0,0,0,0,0,0|1,0,0]=1 19 B3R0.2 N=C(N)N 2826164 [0,0,0,0,0,0|1,0,0]=1 20 B3R0.2 N=C([NH3+])[NH3+] 22430381 [0,0,0,0,0,0|1,0,1]=2 21 B3R0.2 NC(N)=S 2825306 [0,0,0,0,0,0|0,1,1]=2 22 B3R0.2 O=[N+]([O-])O 22430585 [0,0,0,0,0,0|3,0,0]=3 23 B2R0.1 BrCBr 2846774 [1,0,0,0,0,0|2,0,1]=4 24 B2R0.1 CC=O 3585877 [1,0,0,0,0,0|1,0,1]=3 25 B2R0.1 CCI 2830268 [1,0,0,0,0,0|2,0,1]=4 26 B2R0.1 CCN 6057187 [1,0,0,0,0,0|1,0,1]=3 27 B2R0.1 CNC 6057150 [1,0,0,0,0,0|3,0,0]=4 28 B2R0.1 CON 1270718 [1,0,0,0,0,0|2,0,0]=3 29 B2R0.1 Cl[Pd]Cl 22430432 [1,0,0,0,0,0|3,0,0]=4 30 B2R0.1 Cl[Sn]Cl 6057406 [1,0,0,0,0,0|3,0,0]=4 31 B2R0.1 N#CBr 2816883 [1,0,0,0,0,0|1,0,2]=4 32 B2R0.1 NCC 22430626 [1,0,0,0,0,0|1,0,1]=3 33 B2R0.1 S=C=S 2825307 [1,0,0,0,0,0|1,1,1]=4 34 B2R0.1 [BH3-]C#N 3585761 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C=C(C)C#N 8420357 [0,1,0,0,0,0|2,0,1]=4 36 B4R0.1 C=C(C)CCl 2825437 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 C=C(Cl)C#N 2816654 [0,1,0,0,0,0|2,0,1]=4 38 B4R0.1 C=CC(=C)C 22430632 [0,1,0,0,0,0|3,0,0]=4 39 B4R0.1 C=CC(=O)O 2825263 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.1 C=CC(C)=O 4434968 [0,1,0,0,0,0|2,0,1]=4 41 B4R0.1 C=CC(N)=O 2825260 [0,1,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(=O)C=O 2825264 [0,1,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(=O)CBr 2818247 [0,1,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(=O)CCl 2825445 [0,1,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(=O)CN 15296922 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.1 CC(=O)CO 2825282 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(=O)NN 1778530 [0,1,0,0,0,0|1,0,1]=3 48 B4R0.1 CC(C)=NO 2816596 [0,1,0,0,0,0|2,0,0]=3 49 B4R0.1 CC(C)CN 1201821 [0,1,0,0,0,0|2,0,1]=4 50 B4R0.1 CC(C)CO 2825285 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 CC(C)NN 11186491 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 CC(Cl)CN 22430566 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.1 CC(N)CN 2825289 [0,1,0,0,0,0|1,0,2]=4 54 B4R0.1 CC(O)CN 2825298 [0,1,0,0,0,0|1,0,1]=3 55 B4R0.1 CCC(=O)Cl 1051693 [0,1,0,0,0,0|2,0,1]=4 56 B4R0.1 CCC(=O)O 14605034 [0,1,0,0,0,0|2,0,0]=3 57 B4R0.1 CCC(C)=O 3585902 [0,1,0,0,0,0|2,0,1]=4 58 B4R0.1 CCC(C)N 1146656 [0,1,0,0,0,0|2,0,1]=4 59 B4R0.1 CCC(C)O 2825288 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.1 CCC(N)=O 1375166 [0,1,0,0,0,0|1,0,1]=3 61 B4R0.1 CNC(N)=O 1778531 [0,1,0,0,0,0|0,0,2]=3 62 B4R0.1 CNC(N)=S 1655198 [0,1,0,0,0,0|0,1,1]=3 63 B4R0.1 COC(=O)Cl 2825463 [0,1,0,0,0,0|2,0,0]=3 64 B4R0.1 COC(Cl)Cl 2817081 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.1 COC(N)=O 2825294 [0,1,0,0,0,0|1,0,0]=2 66 B4R0.1 CSC(=N)N 22430370 [0,1,0,0,0,0|0,1,0]=2 67 B4R0.1 CSC(=N)N 8916343 [0,1,0,0,0,0|0,1,0]=2 68 B4R0.1 C[C@H](N)CO 7020694203 [0,1,0,0,0,0|1,0,1]=3 69 B4R0.1 C\C(Cl)=C/Cl 22430536 [0,1,0,0,0,0|3,0,0]=4 70 B4R0.1 C\C(N)=N\O 4434544 [0,1,0,0,0,0|1,0,0]=2 71 B4R0.1 N=C(N)NN 22430384 [0,1,0,0,0,0|1,0,0]=2 72 B4R0.1 N=C(N)NN 2825284 [0,1,0,0,0,0|1,0,0]=2 73 B4R0.1 NC(=O)CCl 2825454 [0,1,0,0,0,0|1,0,1]=3 74 B4R0.1 NC(=O)CS 3474154 [0,1,0,0,0,0|1,0,1]=3 75 B4R0.1 NC(=O)NO 4666717 [0,1,0,0,0,0|1,0,0]=2 76 B4R0.1 NCC(=O)O 2825296 [0,1,0,0,0,0|1,0,0]=2 77 B4R0.1 NCC(=O)O 5753509 [0,1,0,0,0,0|1,0,0]=2 78 B4R0.1 NNC(N)=O 2825793 [0,1,0,0,0,0|0,0,2]=3 79 B4R0.1 NNC(N)=S 2825440 [0,1,0,0,0,0|0,1,1]=3 80 B4R0.1 O=C(Cl)CCl 2825844 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.1 O=C(O)CBr 2827321 [0,1,0,0,0,0|2,0,0]=3 82 B4R0.1 O=C(O)CCl 2825462 [0,1,0,0,0,0|2,0,0]=3 83 B4R0.1 O=C(O)CI 2928692 [0,1,0,0,0,0|2,0,0]=3 84 B4R0.1 O=C(O)CO 2825300 [0,1,0,0,0,0|2,0,0]=3 85 B4R0.1 O=C(O)CS 2119848 [0,1,0,0,0,0|2,0,0]=3 86 B4R0.1 O=C([O-])CS 6057377 [0,1,0,0,0,0|2,0,1]=4 87 B4R0.1 O=CC(=O)O 2825277 [0,1,0,0,0,0|2,0,0]=3 88 B4R0.3 CC(C)(C)N 1188082 [0,1,0,0,0,0|2,0,1]=4 89 B4R0.3 CC(C)(C)O 2825286 [0,1,0,0,0,0|2,0,1]=4 90 B4R0.3 CS(=O)(=O)O 2816712 [0,1,0,0,0,0|3,0,0]=4 91 B4R0.3 CS(N)(=O)=O 2825472 [0,1,0,0,0,0|2,0,1]=4 92 B4R0.3 NS(=O)(=O)O 2825492 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.3 O=S(=O)(O)O 22430399 [0,1,0,0,0,0|3,0,0]=4 94 B4R0.3 O=S(=O)(O)O 22430587 [0,1,0,0,0,0|3,0,0]=4 95 B4R0.3 O=S(=O)([O-])O 22430383 [0,1,0,0,0,0|3,0,0]=4 96 B4R1.2 CC1CO1 2825245 [0,0,0,1,0,0|2,0,1]=4 97 B4R1.2 NC1CC1 2825240 [0,0,0,1,0,0|2,0,1]=4 98 B1R0.1 Br[Ag] 22430508 [2,0,0,0,0,0|2,0,0]=4 99 B1R0.1 CI 2827702 [2,0,0,0,0,0|1,0,1]=4 100 B1R0.1 CN 3585770 [2,0,0,0,0,0|0,0,1]=3 101 B1R0.1 NO 6057170 [2,0,0,0,0,0|0,0,0]=2 102 B3R0.1 C#CCO 6057505 [1,1,0,0,0,0|1,0,1]=4 103 B3R0.1 C(=O)C=C 6057255 [1,1,0,0,0,0|1,0,1]=4 104 B3R0.1 C=CC#N 5753506 [1,1,0,0,0,0|1,0,1]=4 105 B3R0.1 C=CCBr 2826145 [1,1,0,0,0,0|2,0,0]=4 106 B3R0.1 C=CCCl 2825308 [1,1,0,0,0,0|2,0,0]=4 107 B3R0.1 C=CCN 3643807 [1,1,0,0,0,0|1,0,0]=3 108 B3R0.1 CCC=O 2825243 [1,1,0,0,0,0|1,0,1]=4 109 B3R0.1 CCCN 2825249 [1,1,0,0,0,0|1,0,1]=4 110 B3R0.1 CN=C=S 2825274 [1,1,0,0,0,0|0,1,1]=4 111 B3R0.1 CNOC 2825501 [1,1,0,0,0,0|2,0,0]=4 112 B3R0.1 COC=O 13507909 [1,1,0,0,0,0|1,0,0]=3 113 B3R0.1 N#CCN 22430542 [1,1,0,0,0,0|0,0,2]=4 114 B3R0.1 NCCCl 2825973 [1,1,0,0,0,0|1,0,1]=4 115 B3R0.1 NCCN 3585805 [1,1,0,0,0,0|0,0,2]=4 116 B3R0.1 NCCO 3585939 [1,1,0,0,0,0|0,0,1]=3 117 B3R0.1 NCCS 2119122 [1,1,0,0,0,0|0,1,1]=4 118 B3R0.1 NCCS 22430522 [1,1,0,0,0,0|0,1,1]=4 119 B3R0.1 NNC=O 2825252 [1,1,0,0,0,0|0,0,1]=3 120 B3R0.1 N\C=N\O 6923389 [1,1,0,0,0,0|0,0,0]=2 121 B3R0.1 O=CC=O 2825242 [1,1,0,0,0,0|1,0,1]=4 122 B3R0.1 O=CCCl 2825311 [1,1,0,0,0,0|1,0,1]=4 123 B3R0.1 O=NO[Na] 6057364 [1,1,0,0,0,0|2,0,0]=4 124 B3R0.1 OCCBr 2826257 [1,1,0,0,0,0|1,0,1]=4 125 B3R0.1 OCCCl 2825315 [1,1,0,0,0,0|1,0,1]=4 126 B3R0.1 OCCF 22430618 [1,1,0,0,0,0|1,0,1]=4 127 B3R0.1 OCCS 2121589 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.1 C=COC(C)=O 2825364 [0,2,0,0,0,0|2,0,0]=4 129 B5R0.1 CC(=O)CCN 1513437 [0,2,0,0,0,0|1,0,1]=4 130 B5R0.1 CC(O)CNN 2630835 [0,2,0,0,0,0|1,0,1]=4 131 B5R0.1 CCCC(=O)O 2825391 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.1 CCOC(=O)Cl 2825723 [0,2,0,0,0,0|2,0,0]=4 133 B5R0.1 CCOC(=S)[S-] 1445679 [0,2,0,0,0,0|2,0,0]=4 134 B5R0.1 CCOC(C)=N 6849557 [0,2,0,0,0,0|1,0,0]=3 135 B5R0.1 CCOC(N)=O 2825409 [0,2,0,0,0,0|1,0,0]=3 136 B5R0.1 CNCC(=O)O 1972908 [0,2,0,0,0,0|1,0,0]=3 137 B5R0.1 CNCC(C)O 1366510 [0,2,0,0,0,0|1,0,1]=4 138 B5R0.1 COCC(=O)Cl 1375180 [0,2,0,0,0,0|2,0,0]=4 139 B5R0.1 COCC(=O)O 2825420 [0,2,0,0,0,0|2,0,0]=4 140 B5R0.1 COCC(N)=O 1375171 [0,2,0,0,0,0|1,0,0]=3 141 B5R0.1 COCC(N)=S 2043868 [0,2,0,0,0,0|1,0,0]=3 142 B5R0.1 C\C=C\C(=O)O 5252226 [0,2,0,0,0,0|2,0,0]=4 143 B5R0.1 N#CCC(=O)O 1519400 [0,2,0,0,0,0|1,0,1]=4 144 B5R0.1 N#CCC(N)=O 2825332 [0,2,0,0,0,0|0,0,2]=4 145 B5R0.1 N#CCC(N)=S 0109870010 [0,2,0,0,0,0|0,1,1]=4 146 B5R0.1 N#CN=C(N)N 6057199 [0,2,0,0,0,0|1,0,0]=3 147 B5R0.1 N#CNC(=N)N 2825336 [0,2,0,0,0,0|1,0,0]=3 148 B5R0.1 NC(=O)CCBr 4787247 [0,2,0,0,0,0|1,0,1]=4 149 B5R0.1 NCCC(=O)O 2825410 [0,2,0,0,0,0|1,0,0]=3 150 B5R0.1 O=C(O)CCBr 2829509 [0,2,0,0,0,0|2,0,0]=4 151 B5R0.1 O=C(O)CCCl 2825726 [0,2,0,0,0,0|2,0,0]=4 152 B5R0.1 O=C(O)CCO 2255842 [0,2,0,0,0,0|2,0,0]=4 153 B5R0.1 O=C(O)CCS 2825675 [0,2,0,0,0,0|2,0,0]=4 154 B5R0.3 C#CC(=O)OC 2825331 [0,2,0,0,0,0|2,0,0]=4 155 B5R0.3 C=CC(=O)OC 2825362 [0,2,0,0,0,0|2,0,0]=4 156 B5R0.3 CCC(N)CO 2204675 [0,2,0,0,0,0|1,0,1]=4 157 B5R0.3 CNC(=O)CCl 7020410071 [0,2,0,0,0,0|1,0,1]=4 158 B5R0.3 CNC(=O)NC 2825397 [0,2,0,0,0,0|0,0,2]=4 159 B5R0.3 CNC(=S)NN 2825667 [0,2,0,0,0,0|0,1,1]=4 160 B5R0.3 COC(=O)C#N 6849688 [0,2,0,0,0,0|1,0,1]=4 161 B5R0.3 COC(=O)CBr 2820342 [0,2,0,0,0,0|2,0,0]=4 162 B5R0.3 COC(=O)CCl 2825724 [0,2,0,0,0,0|2,0,0]=4 163 B5R0.3 COC(=O)CI 4787273 [0,2,0,0,0,0|2,0,0]=4 164 B5R0.3 COC(=O)CN 2826298 [0,2,0,0,0,0|1,0,0]=3 165 B5R0.3 COC(=O)CS 2825674 [0,2,0,0,0,0|2,0,0]=4 166 B5R0.3 COC(=O)OC 2825421 [0,2,0,0,0,0|2,0,0]=4 167 B5R0.3 NNC(=S)NN 0125160166 [0,2,0,0,0,0|0,1,1]=4 168 B5R0.3 O=C(CO)CO 22430589 [0,2,0,0,0,0|2,0,0]=4 169 B5R0.3 O=CC(=O)CO 3354149 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.4 CC(C)(N)CO 2825414 [0,2,0,0,0,0|1,0,1]=4 171 B5R0.4 CC(C)(O)CN 7020694197 [0,2,0,0,0,0|1,0,1]=4 172 B5R0.4 NOS(=O)(=O)O 2825849 [0,2,0,0,0,0|2,0,0]=4 173 B5R0.5 C=C(C)C(=O)O 2825357 [0,2,0,0,0,0|2,0,0]=4 174 B5R0.5 CC(=O)C(=O)O 2825388 [0,2,0,0,0,0|2,0,0]=4 175 B5R0.5 CC(=O)C(C)O 2825393 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.5 CC(=O)N(C)C 2825378 [0,2,0,0,0,0|1,0,1]=4 177 B5R0.5 CC(=O)N(C)N 3354157 [0,2,0,0,0,0|1,0,1]=4 178 B5R0.5 CC(Br)C(=O)O 2829508 [0,2,0,0,0,0|2,0,0]=4 179 B5R0.5 CC(C)C(=O)O 1201986 [0,2,0,0,0,0|2,0,0]=4 180 B5R0.5 CC(C)C(N)=O 1375169 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.5 CC(C)C(N)=S 2043864 [0,2,0,0,0,0|1,1,0]=4 182 B5R0.5 CC(Cl)C(N)=O 2825697 [0,2,0,0,0,0|1,0,1]=4 183 B5R0.5 CC(N)C(=O)O 7216850010 [0,2,0,0,0,0|1,0,0]=3 184 B5R0.5 CC(O)C(=O)O 2825419 [0,2,0,0,0,0|2,0,0]=4 185 B5R0.5 CC(S)C(=O)O 2120474 [0,2,0,0,0,0|2,0,0]=4 186 B5R0.5 CN(C)C(=O)Cl 2197768 [0,2,0,0,0,0|1,0,1]=4 187 B5R0.5 C[C@H](N)C(=O)O 22430475 [0,2,0,0,0,0|1,0,0]=3 188 B5R0.5 O=C(O)C(Cl)Cl 2826549 [0,2,0,0,0,0|2,0,0]=4 189 B5R1.2 O=C1COC1 3463696 [0,1,0,1,0,0|2,0,0]=4 190 B5R1.2 OC1CNC1 3488477 [0,1,0,1,0,0|1,0,1]=4