0 B4R0.1 C#CC(C)N SY022798 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(N)=O SY060790 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C(Br)CN SY122662 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C=C(Br)CN SY264242 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C=C(Br)CO SY043202 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C=C(C)CN SY018445 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=C[C@H](C)N SY245785 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(=N)NN SY188423 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(=O)CN SY018511 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(C)NN SY008422 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(C)NO SY059927 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CC(C)ON SY019006 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(N)CBr SY268996 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(N)CF SY045872 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CC(S)CO SY195125 [0,0,0,0,0,0|2,1,1]=4 15 B4R0.1 CCB(O)O SY004385 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CCC(=N)N SY018521 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 CCC(N)=O SY048276 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 CCS(=O)[O-] SY005659 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CC[C@H](C)N SY059203 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CNC(N)=O SY018863 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 COC(=N)N SY021749 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 COC(=N)N SY023512 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CSC(=N)N SY001378 [0,0,0,0,0,0|2,1,0]=3 24 B4R0.1 C[C@@H](Cl)CO SY240135 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 C[C@@H](N)CF SY044783 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 C[C@@H](O)CN SY002691 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 C[C@@H](O)CO SY003769 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.1 C[C@H](N)CF SY044781 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 C[C@H](O)CO SY003770 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 C\C(Cl)=N\O SY307714 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 C\C(N)=N\O SY011082 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 N=C(N)CCl SY116175 [0,0,0,0,0,0|4,0,0]=4 33 B4R0.1 N=C(N)NN SY057364 [0,0,0,0,0,0|4,0,0]=4 34 B4R0.1 NC(=S)CF SY153543 [0,0,0,0,0,0|3,1,0]=4 35 B4R0.1 NCC(N)=O SY003860 [0,0,0,0,0,0|3,0,0]=3 36 B4R0.1 NCC(N)=O SY104505 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 NNC(N)=S SY001634 [0,0,0,0,0,0|3,1,0]=4 38 B4R0.1 O=C([O-])CI SY066613 [0,0,0,0,0,0|3,0,0]=3 39 B4R0.1 ON=C(Br)Br SY007120 [0,0,0,0,0,0|4,0,0]=4 40 B3R0.1 CCON SY009566 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.1 CNOC SY001763 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.1 COCBr SY029084 [1,0,0,0,0,0|1,0,1]=3 43 B3R0.1 C[Se][Se]C SY048201 [1,0,0,0,0,0|1,1,0]=3 44 B3R0.1 N\C=N\O SY086195 [1,0,0,0,0,0|3,0,0]=4 45 B3R0.2 CB(O)O SY001105 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.2 CC(=O)O SY001386 [1,0,0,0,0,0|0,0,0]=1 47 B3R0.2 CC(=O)O SY004125 [1,0,0,0,0,0|0,0,0]=1 48 B3R0.2 CC(=O)[O-] SY001322 [1,0,0,0,0,0|0,0,1]=2 49 B3R0.2 CC(=O)[O-] SY010327 [1,0,0,0,0,0|0,0,1]=2 50 B3R0.2 CC(=O)[O-] SY011498 [1,0,0,0,0,0|0,0,1]=2 51 B3R0.2 CC(=O)[O-] SY011745 [1,0,0,0,0,0|0,0,1]=2 52 B3R0.2 CC(=O)[O-] SY011809 [1,0,0,0,0,0|0,0,1]=2 53 B3R0.2 CC(=O)[O-] SY011846 [1,0,0,0,0,0|0,0,1]=2 54 B3R0.2 CC(=O)[O-] SY013501 [1,0,0,0,0,0|0,0,1]=2 55 B3R0.2 CC(=O)[O-] SY027391 [1,0,0,0,0,0|0,0,1]=2 56 B3R0.2 CC(=O)[O-] SY045651 [1,0,0,0,0,0|0,0,1]=2 57 B3R0.2 CC(=O)[O-] SY067119 [1,0,0,0,0,0|0,0,1]=2 58 B3R0.2 CC(=O)[O-] SY256925 [1,0,0,0,0,0|0,0,1]=2 59 B3R0.2 CC(=O)[O-] SY257453 [1,0,0,0,0,0|0,0,1]=2 60 B3R0.2 CC(C)N SY107348 [1,0,0,0,0,0|1,0,1]=3 61 B3R0.2 CN(C)C SY010907 [1,0,0,0,0,0|2,0,0]=3 62 B3R0.2 CS(=O)[O-] SY002584 [1,0,0,0,0,0|1,0,1]=3 63 B3R0.2 C[S+](C)C SY011509 [1,0,0,0,0,0|2,0,0]=3 64 B3R0.2 C[S+](C)C SY019516 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.2 N=C(N)Cl SY009310 [1,0,0,0,0,0|3,0,0]=4 66 B3R0.2 N=C(N)N SY003172 [1,0,0,0,0,0|3,0,0]=4 67 B3R0.2 O=C([O-])[O-] SY001250 [1,0,0,0,0,0|1,0,1]=3 68 B3R0.2 O=C([O-])[O-] SY009169 [1,0,0,0,0,0|1,0,1]=3 69 B3R0.2 O=C([O-])[O-] SY011697 [1,0,0,0,0,0|1,0,1]=3 70 B3R0.2 O=C([O-])[O-] SY011713 [1,0,0,0,0,0|1,0,1]=3 71 B3R0.2 O=C([O-])[O-] SY011779 [1,0,0,0,0,0|1,0,1]=3 72 B3R0.2 O=C([O-])[O-] SY011799 [1,0,0,0,0,0|1,0,1]=3 73 B3R0.2 O=C([O-])[O-] SY011844 [1,0,0,0,0,0|1,0,1]=3 74 B3R0.2 O=C([O-])[O-] SY066643 [1,0,0,0,0,0|1,0,1]=3 75 B3R0.2 O=C([O-])[O-] SY076666 [1,0,0,0,0,0|1,0,1]=3 76 B3R0.2 O=C([O-])[O-] SY274515 [1,0,0,0,0,0|1,0,1]=3 77 B3R0.2 O=C([O-])[O-] SY288394 [1,0,0,0,0,0|1,0,1]=3 78 B3R0.2 O=[N+]([O-])[O-] SY061250 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.2 O=[N+]([O-])[O-] SY061261 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.2 O=[Ti]([O-])[O-] SY061132 [1,0,0,0,0,0|2,0,1]=4 81 B3R0.2 O=[Ti]([O-])[O-] SY284367 [1,0,0,0,0,0|2,0,1]=4 82 B3R0.2 O=[Ti]([O-])[O-] SY284368 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.2 O=[V](=O)[O-] SY106462 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.2 P(C)(C)=O SY009874 [1,0,0,0,0,0|1,0,0]=2 85 B3R0.2 P(C)(C)=O SY237149 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.1 C#CCC(=O)O SY040154 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.1 C=CNC(N)=O SY159600 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.1 CC#CC(C)=O SY262884 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.1 CC(=O)CCN SY263173 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.1 CC(=O)CCO SY002849 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.1 CC(=O)NCO SY047960 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.1 CC(=O)OCBr SY051438 [0,1,0,0,0,0|0,0,0]=1 93 B5R0.1 CC(=O)\C=N/O SY112549 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.1 CC(C)CON SY013358 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CC(I)=CCI SY237855 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 CC(N)CCF SY299085 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 CC(N)CCO SY030187 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 CC(O)CCBr SY216789 [0,1,0,0,0,0|1,0,2]=4 99 B5R0.1 CCC[C@@H](C)O SY045083 [0,1,0,0,0,0|1,0,2]=4 100 B5R0.1 CCNC(C)=O SY016499 [0,1,0,0,0,0|1,0,0]=2 101 B5R0.1 CN(C)CCBr SY004492 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.1 CN(C)CCI SY219257 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.1 CN(C)CCI SY247759 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.1 CN(C)CCI SY247769 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.1 CNCC(=O)O SY001630 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.1 CNCC(C)O SY083968 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.1 CNCC(N)=O SY059741 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.1 CNC[C@H](C)O SY131109 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.1 COCC(=N)N SY019943 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.1 COCC(C)Br SY074290 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.1 COC[C@@H](C)N SY034826 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 COC[C@@H](C)N SY056838 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.1 CSCC(N)=O SY040648 [0,1,0,0,0,0|1,1,0]=3 114 B5R0.1 CSCS(C)=O SY049552 [0,1,0,0,0,0|1,1,0]=3 115 B5R0.1 C[C@@H](O)CCO SY049450 [0,1,0,0,0,0|1,0,2]=4 116 B5R0.1 C[C@H](N)CCO SY022986 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.1 C\C(I)=C/CI SY237856 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.1 C\C(I)=C\CI SY237854 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.1 C\C(I)=C\CO SY246995 [0,1,0,0,0,0|2,0,0]=3 120 B5R0.1 C\C(I)=C\CO SY252919 [0,1,0,0,0,0|2,0,0]=3 121 B5R0.1 NC(=O)CCBr SY014886 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.1 NCCC(N)=O SY024863 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.1 NCCC(N)=O SY101590 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.1 NCC[N+](=O)[O-] SY279282 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.1 O=C(O)CCF SY008508 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.1 O=C(O)CCO SY003982 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.1 O=C(O)\C=C\Br SY026854 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.1 O=[N+]([O-])CCO SY008757 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.3 C#C[C@H](C)OC SY282343 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.3 C=C(CI)CI SY280389 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.3 C=C(CO)CO SY009429 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.3 C=C(OC)OC SY274566 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.3 C=CC(=O)NC SY057550 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.3 C=CC(C)ON SY039116 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.3 CC(=CI)CI SY271392 [0,1,0,0,0,0|3,0,0]=4 136 B5R0.3 CCC(Br)CC SY050135 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.3 CC[C@@H](N)CO SY049464 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.3 CC[C@H](N)CF SY045883 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.3 CNC(=N)NC SY270827 [0,1,0,0,0,0|2,0,0]=3 140 B5R0.3 CNC(=O)CBr SY106596 [0,1,0,0,0,0|1,0,0]=2 141 B5R0.3 CNC(=O)CCl SY003250 [0,1,0,0,0,0|1,0,0]=2 142 B5R0.3 CNC(=O)CN SY024913 [0,1,0,0,0,0|1,0,0]=2 143 B5R0.3 CNC(=O)CN SY066423 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.3 CNC(=O)NC SY004507 [0,1,0,0,0,0|1,0,0]=2 145 B5R0.3 CNC(C)C#N SY019549 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.3 CNC(C)CO SY082195 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.3 COC(=O)CN SY001589 [0,1,0,0,0,0|0,0,0]=1 148 B5R0.3 COC(=O)CO SY003097 [0,1,0,0,0,0|0,0,0]=1 149 B5R0.3 COC(C)CBr SY298794 [0,1,0,0,0,0|1,0,1]=3 150 B5R0.3 CO[C@@H](C)CN SY114788 [0,1,0,0,0,0|1,0,1]=3 151 B5R0.3 CSC(=N)NN SY023604 [0,1,0,0,0,0|2,1,0]=4 152 B5R0.3 C\C(=C/I)CO SY270524 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.3 C\C(=C\I)CI SY248780 [0,1,0,0,0,0|3,0,0]=4 154 B5R0.3 NNC(=O)CO SY059283 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.3 O=C(CO)CO SY038299 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.4 CC(C)(C)ON SY025901 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.4 CCS(=O)(=O)O SY036762 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.4 CCS(N)(=O)=O SY016774 [0,1,0,0,0,0|3,0,0]=4 159 B5R0.4 CNS(=O)(=O)Cl SY004236 [0,1,0,0,0,0|3,0,0]=4 160 B5R0.4 CNS(C)(=O)=O SY004768 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.4 CNS(N)(=O)=O SY020910 [0,1,0,0,0,0|3,0,0]=4 162 B5R0.4 CO[Si](C)(C)Cl SY249087 [0,1,0,0,0,0|1,1,0]=3 163 B5R0.5 C=C(C)C(C)O SY145959 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.5 C=C(C)C(N)=O SY010261 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.5 C=C(F)C(=O)Cl SY039966 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.5 C=C(F)C(=O)O SY021247 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.5 CC(=O)C(F)F SY013768 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.5 CC(Br)C(N)=O SY106825 [0,1,0,0,0,0|2,0,0]=3 169 B5R0.5 CC(C)C(=N)N SY024838 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.5 CC(C)C(N)=O SY015332 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.5 CC(C)[C@H](C)N SY059202 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.5 CC(N)C(=O)O SY005245 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.5 CC(N)C(N)=O SY012823 [0,1,0,0,0,0|2,0,0]=3 174 B5R0.5 CC(N)C(N)=O SY027188 [0,1,0,0,0,0|2,0,0]=3 175 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.5 C[C@@H](N)C(N)=O SY030965 [0,1,0,0,0,0|2,0,0]=3 178 B5R0.5 C[C@@H](N)C(N)=O SY111070 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.5 C[C@@H](O)C(N)=O SY022608 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [0,1,0,0,0,0|1,0,2]=4 181 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.5 C[C@H](N)C(N)=O SY031439 [0,1,0,0,0,0|2,0,0]=3 183 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [0,1,0,0,0,0|1,0,2]=4 184 B5R0.5 O=C(O)C(F)Br SY040308 [0,1,0,0,0,0|3,0,0]=4 185 B5R0.5 O=C(O)C(F)Cl SY275169 [0,1,0,0,0,0|3,0,0]=4 186 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [0,1,0,0,0,0|3,0,0]=4 187 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [0,1,0,0,0,0|3,0,0]=4 188 B5R1.2 BrC1CCC1 SY013810 [0,0,0,1,0,0|2,0,1]=4 189 B5R1.2 CC1CCN1 SY099118 [0,0,0,1,0,0|2,0,1]=4 190 B5R1.2 C[C@@H]1CCN1 SY261901 [0,0,0,1,0,0|2,0,1]=4 191 B5R1.2 C[C@H]1CCN1 SY249704 [0,0,0,1,0,0|2,0,1]=4 192 B5R1.2 IC1CCC1 SY233989 [0,0,0,1,0,0|2,0,1]=4 193 B5R1.2 NC1CCC1 SY013751 [0,0,0,1,0,0|2,0,1]=4 194 B5R1.2 O=C1CNC1 SY027144 [0,0,0,1,0,0|2,0,0]=3 195 B5R1.2 O=C1COC1 SY003915 [0,0,0,1,0,0|2,0,0]=3 196 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [0,0,0,1,0,0|1,0,2]=4 197 B5R1.5 CC1(N)CC1 SY029028 [0,0,0,1,0,0|2,0,1]=4 198 B5R1.5 CC1(O)CC1 SY022540 [0,0,0,1,0,0|1,0,2]=4 199 B5R1.5 O=S1(=O)CC1 SY268817 [0,0,0,1,0,0|3,0,0]=4 200 B2R0.1 C=NO SY022552 [2,0,0,0,0,0|1,0,1]=4 201 B2R0.1 CC#N SY009905 [2,0,0,0,0,0|1,0,1]=4 202 B2R0.1 CNN SY114943 [2,0,0,0,0,0|2,0,0]=4 203 B2R0.1 CNO SY013476 [2,0,0,0,0,0|1,0,0]=3 204 B2R0.1 N=CN SY007749 [2,0,0,0,0,0|2,0,0]=4 205 B2R0.1 O=C[O-] SY027875 [2,0,0,0,0,0|0,0,1]=3 206 B2R0.1 O=N[O-] SY010058 [2,0,0,0,0,0|1,0,1]=4 207 B2R0.1 O=[Ru]=O SY009293 [2,0,0,0,0,0|1,0,1]=4 208 B2R0.1 O=[Ru]=O SY010110 [2,0,0,0,0,0|1,0,1]=4 209 B2R0.1 O[Pd]O SY001180 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.2 BrCOCBr SY231337 [1,1,0,0,0,0|1,0,1]=4 211 B4R0.2 C=CCCN SY036713 [1,1,0,0,0,0|1,0,1]=4 212 B4R0.2 C=CCON SY029026 [1,1,0,0,0,0|1,0,1]=4 213 B4R0.2 CC=CC[Pd+2] SY070788 [1,1,0,0,0,0|1,0,0]=3 214 B4R0.2 CCCON SY096737 [1,1,0,0,0,0|1,0,1]=4 215 B4R0.2 CCOC=N SY041120 [1,1,0,0,0,0|1,0,0]=3 216 B4R0.2 CNCCBr SY044997 [1,1,0,0,0,0|1,0,1]=4 217 B4R0.2 CNCCF SY122542 [1,1,0,0,0,0|1,0,1]=4 218 B4R0.2 CNCCN SY023647 [1,1,0,0,0,0|1,0,1]=4 219 B4R0.2 COCC#N SY003878 [1,1,0,0,0,0|0,0,2]=4 220 B4R0.2 COCCI SY248715 [1,1,0,0,0,0|0,0,1]=3 221 B4R0.2 NOCCO SY007135 [1,1,0,0,0,0|1,0,1]=4 222 B4R0.2 O=[Ho]O[Ho]=O SY010030 [1,1,0,0,0,0|2,0,0]=4 223 B4R0.2 O=[In]O[In]=O SY061096 [1,1,0,0,0,0|2,0,0]=4 224 B4R0.2 O=[Sc]O[Sc]=O SY003090 [1,1,0,0,0,0|2,0,0]=4 225 B4R0.3 CS(=O)(=O)[O-] SY003606 [1,1,0,0,0,0|1,0,1]=4 226 B4R0.3 CS(C)(=N)=O SY037343 [1,1,0,0,0,0|1,0,0]=3 227 B4R0.3 CS(N)(=O)=O SY001366 [1,1,0,0,0,0|1,0,1]=4 228 B4R0.3 C[N+](C)(C)C SY037155 [1,1,0,0,0,0|2,0,0]=4 229 B4R0.3 C[N+](C)(C)[O-] SY010773 [1,1,0,0,0,0|1,0,1]=4 230 B4R0.3 C[S+](C)(C)=O SY002188 [1,1,0,0,0,0|1,0,0]=3 231 B4R0.3 C[S+](C)(C)=O SY036350 [1,1,0,0,0,0|1,0,0]=3 232 B4R0.3 C[S+](C)(C)=O SY039178 [1,1,0,0,0,0|1,0,0]=3 233 B4R0.3 O=P([O-])([O-])O SY010082 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.1 C=CCC(=O)OC SY025883 [0,2,0,0,0,0|0,0,0]=2 235 B6R0.1 CC#CC(=O)OC SY012646 [0,2,0,0,0,0|0,0,0]=2 236 B6R0.1 CC(=CCBr)CBr SY285202 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.1 CCC(=O)CC#N SY004535 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.1 CCC(=O)COC SY190908 [0,2,0,0,0,0|0,0,0]=2 239 B6R0.1 CCCC(=O)NN SY060413 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.1 CCNC(=O)CCl SY024489 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.1 CCOC(=N)CCl SY026914 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.1 CCOC(=O)CN SY002226 [0,2,0,0,0,0|0,0,0]=2 243 B6R0.1 CCOC(=O)CO SY002762 [0,2,0,0,0,0|0,0,0]=2 244 B6R0.1 CCOC(=S)SC SY261921 [0,2,0,0,0,0|0,1,0]=3 245 B6R0.1 CN(C=O)CCO SY038247 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.1 CNC(=O)CC#N SY032593 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.1 CNC(=O)CCO SY083761 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.1 COC(=N)CC#N SY257805 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.1 COC(=O)C#CBr SY039726 [0,2,0,0,0,0|0,0,1]=3 250 B6R0.1 COC(=O)C=CI SY264761 [0,2,0,0,0,0|0,0,1]=3 251 B6R0.1 COC(=O)CCBr SY002337 [0,2,0,0,0,0|0,0,0]=2 252 B6R0.1 COC(=O)CCN SY004831 [0,2,0,0,0,0|0,0,0]=2 253 B6R0.1 COC(=O)CCO SY008913 [0,2,0,0,0,0|0,0,0]=2 254 B6R0.1 COC(=O)OCCl SY047554 [0,2,0,0,0,0|0,0,0]=2 255 B6R0.1 COC(=O)\C=C/I SY257888 [0,2,0,0,0,0|0,0,1]=3 256 B6R0.1 COCC(=O)NN SY109583 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.1 COC[C@@H](O)CN SY236677 [0,2,0,0,0,0|0,0,2]=4 258 B6R0.1 COC[C@H](O)CN SY199877 [0,2,0,0,0,0|0,0,2]=4 259 B6R0.1 O=C(CCCl)NO SY159080 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [0,2,0,0,0,0|2,0,0]=4 261 B6R0.2 CC(=O)NC(C)C SY107538 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.2 CC(=O)OC(C)Br SY067153 [0,2,0,0,0,0|0,0,0]=2 263 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.2 CC(N)CC(=O)O SY022577 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.2 CN(C)CC(=O)O SY001194 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.2 CN(C)CC(=O)O SY005006 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,2,0,0,0,0|2,0,0]=4 277 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,2,0,0,0,0|2,0,0]=4 278 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,2,0,0,0,0|2,0,0]=4 279 B6R0.3 C=C(F)C(=O)OC SY044794 [0,2,0,0,0,0|0,0,1]=3 280 B6R0.3 CC(C)C(=O)CN SY186390 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.3 CC(C)C(=O)NN SY041947 [0,2,0,0,0,0|2,0,0]=4 282 B6R0.3 CC(C)N(C)N=O SY264258 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.3 CCC(=O)C(=O)O SY011034 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.3 CCC(=O)N(C)C SY036870 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.3 CCC(Br)C(N)=O SY031102 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.3 CCC(N)C(=O)O SY005223 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,2,0,0,0,0|1,0,1]=4 289 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,2,0,0,0,0|2,0,0]=4 292 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,2,0,0,0,0|2,0,0]=4 293 B6R0.3 CC[C@H](N)C(N)=O SY020529 [0,2,0,0,0,0|2,0,0]=4 294 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,2,0,0,0,0|2,0,0]=4 295 B6R0.3 CN(C)C(=O)CBr SY031848 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.3 CN(C)C(=O)CCl SY004159 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.3 CN(C)C(=O)CN SY109935 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.3 CNC(C)C(=O)O SY006014 [0,2,0,0,0,0|1,0,1]=4 299 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,2,0,0,0,0|1,0,1]=4 300 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.3 COC(=N)C(C)C SY274570 [0,2,0,0,0,0|1,0,0]=3 302 B6R0.3 COC(=O)C(=N)N SY123997 [0,2,0,0,0,0|0,0,1]=3 303 B6R0.3 COC(=O)C(Br)Br SY264751 [0,2,0,0,0,0|0,0,0]=2 304 B6R0.3 COC(=O)C(C)N SY008132 [0,2,0,0,0,0|0,0,0]=2 305 B6R0.3 COC(=O)[C@@H](C)N SY008138 [0,2,0,0,0,0|0,0,0]=2 306 B6R0.3 COC(=O)[C@H](C)N SY005420 [0,2,0,0,0,0|0,0,0]=2 307 B6R0.3 COC(C)C(=O)O SY034306 [0,2,0,0,0,0|0,0,1]=3 308 B6R0.3 CON(C)C(C)=O SY004033 [0,2,0,0,0,0|0,0,0]=2 309 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,2,0,0,0,0|0,0,1]=3 310 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,2,0,0,0,0|2,0,0]=4 311 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,2,0,0,0,0|2,0,0]=4 312 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [0,2,0,0,0,0|1,0,1]=4 313 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,2,0,0,0,0|2,0,0]=4 314 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.3 C[C@H](ON)C(=O)O SY286489 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.3 NC(CO)C(=O)O SY003812 [0,2,0,0,0,0|2,0,0]=4 319 B6R0.3 NC(CS)C(=O)O SY009625 [0,2,0,0,0,0|2,0,0]=4 320 B6R0.3 NCC(Br)C(=O)O SY297906 [0,2,0,0,0,0|2,0,0]=4 321 B6R0.3 NCC(N)C(=O)O SY017516 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.3 NCC(O)C(=O)O SY007745 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,2,0,0,0,0|2,0,0]=4 325 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,2,0,0,0,0|2,0,0]=4 326 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,2,0,0,0,0|2,0,0]=4 328 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,2,0,0,0,0|2,0,0]=4 329 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,2,0,0,0,0|2,0,0]=4 331 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,2,0,0,0,0|2,0,0]=4 332 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,2,0,0,0,0|2,0,0]=4 333 B6R0.3 O=C(CBr)C(F)F SY248032 [0,2,0,0,0,0|2,0,0]=4 334 B6R0.3 O=C(O)C(Br)CO SY261671 [0,2,0,0,0,0|2,0,0]=4 335 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,2,0,0,0,0|2,0,0]=4 336 B6R0.4 CC(=O)CCCO SY002852 [0,2,0,0,0,0|1,0,0]=3 337 B6R0.4 CC(=O)NCCN SY313725 [0,2,0,0,0,0|1,0,0]=3 338 B6R0.4 CC(C)OCC=O SY269035 [0,2,0,0,0,0|1,0,1]=4 339 B6R0.4 CC(C)OCCBr SY031858 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.4 CCCOC(N)=O SY114484 [0,2,0,0,0,0|1,0,0]=3 341 B6R0.4 CNCCC(=O)O SY005345 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.4 CNCCC(=O)O SY112486 [0,2,0,0,0,0|2,0,0]=4 343 B6R0.4 COCCC(=N)N SY185487 [0,2,0,0,0,0|2,0,0]=4 344 B6R0.4 COCCC(=O)O SY028921 [0,2,0,0,0,0|1,0,0]=3 345 B6R0.4 CO\C=C\C(C)=O SY029615 [0,2,0,0,0,0|0,0,0]=2 346 B6R0.4 N#CCCC(=O)O SY008516 [0,2,0,0,0,0|2,0,0]=4 347 B6R0.4 NC(=O)NCCO SY038945 [0,2,0,0,0,0|2,0,0]=4 348 B6R0.4 NCCCC(N)=O SY174709 [0,2,0,0,0,0|2,0,0]=4 349 B6R0.4 NCCO[N+](=O)[O-] SY274700 [0,2,0,0,0,0|2,0,0]=4 350 B6R0.4 NCCO[N+](=O)[O-] SY276711 [0,2,0,0,0,0|2,0,0]=4 351 B6R0.4 O=C(Cl)\C=C\CBr SY263119 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.4 O=C(O)C#CCO SY046324 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.4 O=C(O)CCCBr SY001501 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.4 O=C(O)\C=C\CBr SY028405 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.4 O=C(O)\C=C\CO SY032954 [0,2,0,0,0,0|2,0,0]=4 356 B6R0.5 COCC(C)(C)N SY023626 [0,2,0,0,0,0|1,0,1]=4 357 B6R0.5 COCC(C)(C)N SY026408 [0,2,0,0,0,0|1,0,1]=4 358 B6R0.5 COCC(C)(C)O SY285974 [0,2,0,0,0,0|0,0,2]=4 359 B6R0.5 CS(=O)(=O)CCBr SY020452 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.5 CS(=O)(=O)CCN SY006994 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.5 CS(=O)(=O)CCO SY049666 [0,2,0,0,0,0|2,0,0]=4 362 B6R0.5 C[Si](C)(C)OCCl SY253204 [0,2,0,0,0,0|1,1,0]=4 363 B6R0.8 COC(C)(C)CBr SY007681 [0,2,0,0,0,0|1,0,1]=4 364 B6R0.8 COC(C)(C)CN SY195711 [0,2,0,0,0,0|1,0,1]=4 365 B6R0.8 COC(C)(C)CO SY162215 [0,2,0,0,0,0|0,0,2]=4 366 B6R0.8 COP(=O)([O-])OC SY285858 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.9 CCN(CC)N=O SY053647 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.9 CN=C(NC)NC SY270828 [0,2,0,0,0,0|2,0,0]=4 369 B6R0.9 COC(CO)OC SY122147 [0,2,0,0,0,0|0,0,2]=4 370 B6R0.9 C\C=C(\C=O)CC SY265075 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.7 CC(C)(Br)C(N)=O SY025026 [0,2,0,0,0,0|2,0,0]=4 372 B6R0.7 CC(C)(C)C(=O)[O-] SY011635 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.7 CC(C)(C)C(=O)[O-] SY073914 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.7 CC(C)(C)C(=O)[O-] SY224393 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.7 CC(C)(C)C(N)=O SY037452 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.7 CC(C)(Cl)C(=O)Cl SY247727 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.7 CC(C)(N)C(=O)O SY002590 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.7 CC(C)(N)C(N)=O SY026852 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.7 CC(C)(O)C(=O)O SY001526 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.7 CC(C)(O)C(N)=O SY035592 [0,2,0,0,0,0|2,0,0]=4 381 B4R1.2 O=C1CC1 SY037762 [1,0,0,1,0,0|1,0,0]=3 382 B6R1.2 C=C1CCNC1 SY038558 [0,1,0,1,0,0|2,0,0]=4 383 B6R1.2 CC1=CC=NO1 SY038700 [0,1,0,1,0,0|1,0,1]=4 384 B6R1.2 CC1=COC=N1 SY046619 [0,1,0,1,0,0|1,0,1]=4 385 B6R1.2 CC1=NCCC1 SY015490 [0,1,0,1,0,0|2,0,0]=4 386 B6R1.2 ClC1CCOC1 SY185690 [0,1,0,1,0,0|1,0,1]=4 387 B6R1.2 IC1CCOC1 SY042009 [0,1,0,1,0,0|1,0,1]=4 388 B6R1.2 NC1=NCCC1 SY030217 [0,1,0,1,0,0|2,0,0]=4 389 B6R1.2 NC1CCOC1 SY003277 [0,1,0,1,0,0|1,0,1]=4 390 B6R1.2 NC1CCOC1 SY042059 [0,1,0,1,0,0|1,0,1]=4 391 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,1,0,1,0,0|1,0,1]=4 392 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,1,0,1,0,0|1,0,1]=4 393 B6R1.2 N[C@H]1CCOC1 SY020664 [0,1,0,1,0,0|1,0,1]=4 394 B6R1.2 N[C@H]1CCOC1 SY024406 [0,1,0,1,0,0|1,0,1]=4 395 B6R1.2 O=C1C=CCN1 SY032773 [0,1,0,1,0,0|1,0,1]=4 396 B6R1.2 O=C1C=CCO1 SY017893 [0,1,0,1,0,0|0,0,1]=3 397 B6R1.2 O=C1CC=NN1 SY211686 [0,1,0,1,0,0|1,0,1]=4 398 B6R1.2 O=C1CCNC1 SY019727 [0,1,0,1,0,0|1,0,0]=3 399 B6R1.2 O=C1CCNN1 SY073624 [0,1,0,1,0,0|1,0,0]=3 400 B6R1.2 O=C1CCOC1 SY003100 [0,1,0,1,0,0|0,0,0]=2 401 B6R1.2 O=C1NCCO1 SY003480 [0,1,0,1,0,0|0,0,0]=2 402 B6R1.2 O=C1NCCS1 SY037960 [0,1,0,1,0,0|0,1,0]=3 403 B6R1.2 O=C1OC=CO1 SY001314 [0,1,0,1,0,0|0,0,2]=4 404 B6R1.2 O=S1OCCO1 SY036937 [0,1,0,1,0,0|1,0,0]=3 405 B6R1.2 OC1CCCO1 SY016132 [0,1,0,1,0,0|0,0,2]=4 406 B6R1.2 OC1CCOC1 SY003288 [0,1,0,1,0,0|0,0,2]=4 407 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,1,0,1,0,0|0,0,2]=4 408 B6R1.2 O[C@H]1CCOC1 SY003096 [0,1,0,1,0,0|0,0,2]=4 409 B6R1.5 NC1CC(=O)C1 SY022838 [0,1,0,1,0,0|1,0,0]=3 410 B6R1.5 O=C1CC(Br)C1 SY029031 [0,1,0,1,0,0|1,0,0]=3 411 B6R1.10 CC1(N)COC1 SY051262 [0,1,0,1,0,0|1,0,1]=4 412 B6R1.10 CC1(N)COC1 SY097567 [0,1,0,1,0,0|1,0,1]=4 413 B6R1.10 CC1(O)COC1 SY097550 [0,1,0,1,0,0|0,0,2]=4 414 B6R1.11 NC(=O)C1CC1 SY018785 [0,1,0,1,0,0|2,0,0]=4 415 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [0,1,0,1,0,0|1,0,0]=3 416 B6R1.4 O=C1CCC1Br SY234041 [0,1,0,1,0,0|1,0,0]=3 417 B6R1.6 C#CC1CCO1 SY284813 [0,1,0,1,0,0|1,0,1]=4 418 B6R1.6 COC1CNC1 SY021482 [0,1,0,1,0,0|1,0,1]=4 419 B6R1.6 NCC1CCO1 SY035857 [0,1,0,1,0,0|1,0,1]=4 420 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,1,0,1,0,0|1,0,1]=4 421 B6R1.6 NC[C@H]1CCO1 SY262606 [0,1,0,1,0,0|1,0,1]=4 422 B6R1.6 O=CC1CCC1 SY019700 [0,1,0,1,0,0|1,0,1]=4 423 B6R1.6 OCC1CCO1 SY042053 [0,1,0,1,0,0|0,0,2]=4 424 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,1,0,1,0,0|0,0,2]=4 425 B6R1.6 ON=C1CCC1 SY185260 [0,1,0,1,0,0|1,0,1]=4 426 B6R1.7 CC1(C=O)CC1 SY310800 [0,1,0,1,0,0|1,0,1]=4 427 B6R1.7 CC1(CBr)CO1 SY247742 [0,1,0,1,0,0|1,0,1]=4 428 B6R1.7 CC1(CO)CO1 SY028746 [0,1,0,1,0,0|0,0,2]=4 429 B6R1.7 C[C@]1(CO)CO1 SY028745 [0,1,0,1,0,0|0,0,2]=4