0 B4R0.1 C#CC(C)N SY022798 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=C(Br)CN SY122662 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(Br)CN SY264242 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C=C(Br)CO SY043202 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 C=C(C)CN SY018445 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C=C[C@H](C)N SY245785 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CC(=N)NN SY188423 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(=O)CN SY018511 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 CC(C)NN SY008422 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 CC(C)NO SY059927 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CC(C)ON SY019006 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CC(N)CBr SY268996 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(N)CF SY045872 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CC(S)CO SY195125 [0,0,0,0,0,0|0,1,0]=1 14 B4R0.1 CCB(O)O SY004385 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 CCC(=N)N SY018521 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CCC(N)=O SY048276 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 CCS(=O)[O-] SY005659 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC[C@H](C)N SY059203 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 C[C@@H](Cl)CO SY240135 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 C[C@@H](N)CF SY044783 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 C[C@@H](O)CN SY002691 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.1 C[C@@H](O)CO SY003769 [0,0,0,0,0,0|0,0,0]=0 23 B4R0.1 C[C@H](N)CF SY044781 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 C[C@H](O)CO SY003770 [0,0,0,0,0,0|0,0,0]=0 25 B4R0.1 C\C(Cl)=N\O SY307714 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 C\C(N)=N\O SY011082 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 FC(F)CI SY027169 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 N=C(N)CCl SY116175 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 NC(=S)CF SY153543 [0,0,0,0,0,0|2,1,1]=4 30 B4R0.1 NCC(F)F SY013766 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 NCC(N)=O SY003860 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 NCC(N)=O SY104505 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 O=C([O-])CI SY066613 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.1 ON=C(Br)Br SY007120 [0,0,0,0,0,0|3,0,1]=4 35 B3R0.1 CCON SY009566 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 CNOC SY001763 [1,0,0,0,0,0|3,0,0]=4 37 B3R0.1 COCBr SY029084 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 C[Se][Se]C SY048201 [1,0,0,0,0,0|3,0,0]=4 39 B3R0.1 FCCI SY024380 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 ICCI SY045649 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 NCCF SY009337 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 NCCI SY155633 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 N\C=N\O SY086195 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.2 CB(O)O SY001105 [1,0,0,0,0,0|1,0,0]=2 45 B3R0.2 CC(=O)O SY001386 [1,0,0,0,0,0|0,0,2]=3 46 B3R0.2 CC(=O)O SY004125 [1,0,0,0,0,0|0,0,2]=3 47 B3R0.2 CC(=O)[O-] SY001322 [1,0,0,0,0,0|0,0,3]=4 48 B3R0.2 CC(=O)[O-] SY010327 [1,0,0,0,0,0|0,0,3]=4 49 B3R0.2 CC(=O)[O-] SY011498 [1,0,0,0,0,0|0,0,3]=4 50 B3R0.2 CC(=O)[O-] SY011745 [1,0,0,0,0,0|0,0,3]=4 51 B3R0.2 CC(=O)[O-] SY011809 [1,0,0,0,0,0|0,0,3]=4 52 B3R0.2 CC(=O)[O-] SY011846 [1,0,0,0,0,0|0,0,3]=4 53 B3R0.2 CC(=O)[O-] SY013501 [1,0,0,0,0,0|0,0,3]=4 54 B3R0.2 CC(=O)[O-] SY027391 [1,0,0,0,0,0|0,0,3]=4 55 B3R0.2 CC(=O)[O-] SY045651 [1,0,0,0,0,0|0,0,3]=4 56 B3R0.2 CC(=O)[O-] SY067119 [1,0,0,0,0,0|0,0,3]=4 57 B3R0.2 CC(=O)[O-] SY256925 [1,0,0,0,0,0|0,0,3]=4 58 B3R0.2 CC(=O)[O-] SY257453 [1,0,0,0,0,0|0,0,3]=4 59 B3R0.2 CC(C)N SY107348 [1,0,0,0,0,0|1,0,0]=2 60 B3R0.2 CN(C)C SY010907 [1,0,0,0,0,0|2,0,0]=3 61 B3R0.2 CS(=O)[O-] SY002584 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.2 C[S+](C)C SY011509 [1,0,0,0,0,0|2,0,0]=3 63 B3R0.2 C[S+](C)C SY019516 [1,0,0,0,0,0|2,0,0]=3 64 B3R0.2 P(C)(C)=O SY009874 [1,0,0,0,0,0|1,0,1]=3 65 B3R0.2 P(C)(C)=O SY237149 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 C#CCC(=O)O SY040154 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(=O)CCN SY263173 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.1 CC(=O)CCO SY002849 [0,1,0,0,0,0|0,0,2]=3 69 B5R0.1 CC(=O)NCO SY047960 [0,1,0,0,0,0|0,0,2]=3 70 B5R0.1 CC(=O)OCBr SY051438 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.1 CC(=O)\C=N/O SY112549 [0,1,0,0,0,0|0,0,3]=4 72 B5R0.1 CC(C)CON SY013358 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.1 CC(C)N=[N+]=[N-] SY197245 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.1 CC(I)=CCI SY237855 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(N)CCF SY299085 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 CC(N)CCO SY030187 [0,1,0,0,0,0|1,0,0]=2 77 B5R0.1 CC(O)CCBr SY216789 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.1 CCCB(O)O SY030878 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.1 CCC[C@@H](C)O SY045083 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.1 CCNC(C)=O SY016499 [0,1,0,0,0,0|1,0,2]=4 81 B5R0.1 CN(C)CC=O SY114927 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 CN(C)CCBr SY004492 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.1 CN(C)CCI SY219257 [0,1,0,0,0,0|3,0,0]=4 84 B5R0.1 CN(C)CCI SY247759 [0,1,0,0,0,0|3,0,0]=4 85 B5R0.1 CN(C)CCI SY247769 [0,1,0,0,0,0|3,0,0]=4 86 B5R0.1 CNCC(=O)O SY001630 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.1 CNCC(C)O SY083968 [0,1,0,0,0,0|1,0,0]=2 88 B5R0.1 CNCC(F)F SY181997 [0,1,0,0,0,0|3,0,0]=4 89 B5R0.1 CNC[C@H](C)O SY131109 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.1 COCC(=N)N SY019943 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 COCC(C)Br SY074290 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.1 COC[C@@H](C)N SY034826 [0,1,0,0,0,0|1,0,0]=2 93 B5R0.1 COC[C@@H](C)N SY056838 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 CSCS(C)=O SY049552 [0,1,0,0,0,0|1,1,1]=4 95 B5R0.1 C[C@@H](O)CCO SY049450 [0,1,0,0,0,0|0,0,0]=1 96 B5R0.1 C[C@H](N)CC#N SY121969 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 C[C@H](N)CC#N SY294704 [0,1,0,0,0,0|2,0,0]=3 98 B5R0.1 C[C@H](N)CCO SY022986 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.1 C\C(I)=C/CI SY237856 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 C\C(I)=C\CI SY237854 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 C\C(I)=C\CO SY246995 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 C\C(I)=C\CO SY252919 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.1 O=C(O)CCF SY008508 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 O=C(O)CCO SY003982 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.1 O=[N+]([O-])CCO SY008757 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.3 C#CC(O)C#C SY263075 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.3 C#C[C@H](C)OC SY282343 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.3 C=C(CI)CI SY280389 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.3 C=C(CO)CO SY009429 [0,1,0,0,0,0|0,0,2]=3 110 B5R0.3 C=CC(C)ON SY039116 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.3 C=CC(O)CO SY275096 [0,1,0,0,0,0|0,0,1]=2 112 B5R0.3 C=C[C@@H](N)CO SY211186 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.3 C=C[C@H](N)CO SY101322 [0,1,0,0,0,0|1,0,1]=3 114 B5R0.3 CC(=CI)CI SY271392 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.3 CC(CBr)CBr SY038831 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.3 CC(CI)CI SY248411 [0,1,0,0,0,0|2,0,0]=3 117 B5R0.3 CCC(Br)CC SY050135 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.3 CC[C@@H](N)CO SY049464 [0,1,0,0,0,0|1,0,0]=2 119 B5R0.3 CC[C@H](N)CF SY045883 [0,1,0,0,0,0|2,0,0]=3 120 B5R0.3 CNC(=O)CBr SY106596 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.3 CNC(=O)CCl SY003250 [0,1,0,0,0,0|1,0,2]=4 122 B5R0.3 CNC(=O)CN SY024913 [0,1,0,0,0,0|1,0,2]=4 123 B5R0.3 CNC(=O)CN SY066423 [0,1,0,0,0,0|1,0,2]=4 124 B5R0.3 CNC(C)C#N SY019549 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.3 CNC(C)CO SY082195 [0,1,0,0,0,0|1,0,0]=2 126 B5R0.3 COC(=O)CN SY001589 [0,1,0,0,0,0|1,0,2]=4 127 B5R0.3 COC(=O)CO SY003097 [0,1,0,0,0,0|0,0,2]=3 128 B5R0.3 COC(C)CBr SY298794 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.3 CO[C@@H](C)CN SY114788 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.3 C\C(=C/I)CO SY270524 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.3 C\C(=C\I)CI SY248780 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.3 FCC(I)CF SY249443 [0,1,0,0,0,0|2,0,0]=3 133 B5R0.3 NCC(Br)CBr SY006726 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.3 NCC(F)CO SY260924 [0,1,0,0,0,0|1,0,0]=2 135 B5R0.3 NCC(O)CN SY013661 [0,1,0,0,0,0|1,0,0]=2 136 B5R0.3 NC[C@@H](O)CO SY008127 [0,1,0,0,0,0|0,0,0]=1 137 B5R0.3 NC[C@H](O)CBr SY294054 [0,1,0,0,0,0|1,0,0]=2 138 B5R0.3 NC[C@H](O)CCl SY060396 [0,1,0,0,0,0|1,0,0]=2 139 B5R0.3 NNC(=O)CO SY059283 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.3 O=C(CO)CO SY038299 [0,1,0,0,0,0|0,0,2]=3 141 B5R0.3 OC(CBr)CBr SY012889 [0,1,0,0,0,0|1,0,0]=2 142 B5R0.4 CC(C)(Br)C=O SY251082 [0,1,0,0,0,0|1,0,2]=4 143 B5R0.4 CC(C)(C)CCl SY048171 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.4 CC(C)(C)NO SY036171 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.4 CC(C)(C)ON SY025901 [0,1,0,0,0,0|3,0,0]=4 146 B5R0.4 CC(C)(F)CBr SY027377 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.4 CC(C)(F)CI SY028245 [0,1,0,0,0,0|2,0,0]=3 148 B5R0.4 CC(C)(F)CO SY029466 [0,1,0,0,0,0|1,0,0]=2 149 B5R0.4 CC(C)(N)C#N SY046540 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.4 CC(C)(O)CBr SY236333 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.4 CC(C)(O)CN SY022204 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.4 CC(C)(O)CO SY107922 [0,1,0,0,0,0|0,0,0]=1 153 B5R0.4 CC(F)(F)CN SY029653 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.4 CC(F)(F)CO SY029658 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.4 CCS(=O)(=O)O SY036762 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.4 FC(F)(F)CI SY001054 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.4 NCC(F)(F)F SY017101 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.4 NCP(=O)(O)O SY011283 [0,1,0,0,0,0|3,0,0]=4 159 B5R0.4 OCC(F)(F)Br SY216189 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.5 C=C(C)C(C)O SY145959 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.5 CC(=O)C(F)F SY013768 [0,1,0,0,0,0|1,0,2]=4 162 B5R0.5 CC(Br)C(N)=O SY106825 [0,1,0,0,0,0|1,0,2]=4 163 B5R0.5 CC(C)B(O)O SY006229 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.5 CC(C)C(=N)N SY024838 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.5 CC(C)C(I)I SY248412 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.5 CC(C)C(N)=O SY015332 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.5 CC(C)[C@H](C)N SY059202 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.5 CC(N)C(=O)O SY005245 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.5 CC(N)C(N)=O SY012823 [0,1,0,0,0,0|1,0,2]=4 170 B5R0.5 CC(N)C(N)=O SY027188 [0,1,0,0,0,0|1,0,2]=4 171 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.5 C[C@@H](N)C(N)=O SY030965 [0,1,0,0,0,0|1,0,2]=4 174 B5R0.5 C[C@@H](N)C(N)=O SY111070 [0,1,0,0,0,0|1,0,2]=4 175 B5R0.5 C[C@@H](O)C(N)=O SY022608 [0,1,0,0,0,0|0,0,2]=3 176 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [0,1,0,0,0,0|0,0,0]=1 177 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,1,0,0,0,0|1,0,1]=3 178 B5R0.5 C[C@H](N)C(N)=O SY031439 [0,1,0,0,0,0|1,0,2]=4 179 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [0,1,0,0,0,0|0,0,0]=1 180 B5R0.5 O=C(O)C(F)Br SY040308 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.5 O=C(O)C(F)Cl SY275169 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.5 OB(O)B(O)O SY026113 [0,1,0,0,0,0|3,0,0]=4 185 B5R1.2 BrC1CCC1 SY013810 [0,0,0,1,0,0|2,0,0]=3 186 B5R1.2 BrC1CNC1 SY097761 [0,0,0,1,0,0|2,0,0]=3 187 B5R1.2 CC1CCN1 SY099118 [0,0,0,1,0,0|2,0,0]=3 188 B5R1.2 CC1CNC1 SY056983 [0,0,0,1,0,0|2,0,0]=3 189 B5R1.2 C[C@@H]1CCN1 SY261901 [0,0,0,1,0,0|2,0,0]=3 190 B5R1.2 C[C@H]1CCN1 SY249704 [0,0,0,1,0,0|2,0,0]=3 191 B5R1.2 ClC1COC1 SY059296 [0,0,0,1,0,0|1,0,0]=2 192 B5R1.2 FC1CNC1 SY018074 [0,0,0,1,0,0|2,0,0]=3 193 B5R1.2 IC1CCC1 SY233989 [0,0,0,1,0,0|2,0,0]=3 194 B5R1.2 IC1COC1 SY009160 [0,0,0,1,0,0|1,0,0]=2 195 B5R1.2 NC1CCC1 SY013751 [0,0,0,1,0,0|2,0,0]=3 196 B5R1.2 NC1CNC1 SY033623 [0,0,0,1,0,0|2,0,0]=3 197 B5R1.2 NC1COC1 SY009105 [0,0,0,1,0,0|1,0,0]=2 198 B5R1.2 NC1CSC1 SY097616 [0,0,0,1,0,0|1,1,0]=3 199 B5R1.2 O=C1CNC1 SY027144 [0,0,0,1,0,0|1,0,2]=4 200 B5R1.2 O=C1COC1 SY003915 [0,0,0,1,0,0|0,0,2]=3 201 B5R1.2 OC1CNC1 SY002482 [0,0,0,1,0,0|1,0,0]=2 202 B5R1.2 OC1COC1 SY002910 [0,0,0,1,0,0|0,0,0]=1 203 B5R1.2 OC1CSC1 SY099721 [0,0,0,1,0,0|0,1,0]=2 204 B5R1.3 ICC1CC1 SY266775 [0,0,0,1,0,0|2,0,0]=3 205 B5R1.3 NNC1CC1 SY024161 [0,0,0,1,0,0|3,0,0]=4 206 B5R1.3 OC[C@@H]1CO1 SY013955 [0,0,0,1,0,0|0,0,0]=1 207 B5R1.3 OC[C@H]1CO1 SY031944 [0,0,0,1,0,0|0,0,0]=1 208 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [0,0,0,1,0,0|1,0,0]=2 209 B5R1.4 NC1CC1F SY265040 [0,0,0,1,0,0|2,0,0]=3 210 B5R1.4 NC1CC1N SY249366 [0,0,0,1,0,0|2,0,0]=3 211 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [0,0,0,1,0,0|2,0,0]=3 212 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [0,0,0,1,0,0|2,0,0]=3 213 B5R1.4 N[C@H]1C[C@H]1F SY265042 [0,0,0,1,0,0|2,0,0]=3 214 B5R1.4 N[C@H]1C[C@H]1N SY249367 [0,0,0,1,0,0|2,0,0]=3 215 B5R1.5 CC1(N)CC1 SY029028 [0,0,0,1,0,0|2,0,0]=3 216 B5R1.5 CC1(O)CC1 SY022540 [0,0,0,1,0,0|1,0,0]=2 217 B5R1.5 NC1(O)CC1 SY278292 [0,0,0,1,0,0|2,0,0]=3 218 B2R0.1 C=NO SY022552 [2,0,0,0,0,0|1,0,1]=4 219 B2R0.1 CC#N SY009905 [2,0,0,0,0,0|1,0,1]=4 220 B2R0.1 CNN SY114943 [2,0,0,0,0,0|2,0,0]=4 221 B2R0.1 CNO SY013476 [2,0,0,0,0,0|1,0,0]=3 222 B2R0.1 FCI SY274057 [2,0,0,0,0,0|2,0,0]=4 223 B2R0.1 NCN SY106478 [2,0,0,0,0,0|2,0,0]=4 224 B2R0.1 O[Pd]O SY001180 [2,0,0,0,0,0|1,0,0]=3 225 B4R0.2 BrCCCI SY288042 [1,1,0,0,0,0|1,0,0]=3 226 B4R0.2 BrCOCBr SY231337 [1,1,0,0,0,0|2,0,0]=4 227 B4R0.2 C#CCCI SY026540 [1,1,0,0,0,0|1,0,1]=4 228 B4R0.2 C#CCCN SY007229 [1,1,0,0,0,0|1,0,1]=4 229 B4R0.2 C=CCCN SY036713 [1,1,0,0,0,0|1,0,1]=4 230 B4R0.2 C=CCON SY029026 [1,1,0,0,0,0|0,0,2]=4 231 B4R0.2 CC=CC[Pd+2] SY070788 [1,1,0,0,0,0|1,0,1]=4 232 B4R0.2 CCCNN SY048075 [1,1,0,0,0,0|1,0,0]=3 233 B4R0.2 CCCON SY096737 [1,1,0,0,0,0|0,0,0]=2 234 B4R0.2 CCOC=N SY041120 [1,1,0,0,0,0|1,0,1]=4 235 B4R0.2 CNCC#N SY003939 [1,1,0,0,0,0|1,0,1]=4 236 B4R0.2 CNCCBr SY044997 [1,1,0,0,0,0|1,0,0]=3 237 B4R0.2 CNCCF SY122542 [1,1,0,0,0,0|1,0,0]=3 238 B4R0.2 CNCCN SY023647 [1,1,0,0,0,0|1,0,0]=3 239 B4R0.2 COCC#N SY003878 [1,1,0,0,0,0|1,0,1]=4 240 B4R0.2 COCCI SY248715 [1,1,0,0,0,0|1,0,0]=3 241 B4R0.2 ClCCCI SY031611 [1,1,0,0,0,0|1,0,0]=3 242 B4R0.2 FCCCI SY025148 [1,1,0,0,0,0|1,0,0]=3 243 B4R0.2 ICCCI SY045006 [1,1,0,0,0,0|1,0,0]=3 244 B4R0.2 N#CCCO SY005485 [1,1,0,0,0,0|0,0,1]=3 245 B4R0.2 NCCCBr SY008325 [1,1,0,0,0,0|1,0,0]=3 246 B4R0.2 NCCCCl SY001694 [1,1,0,0,0,0|1,0,0]=3 247 B4R0.2 NCCCI SY154270 [1,1,0,0,0,0|1,0,0]=3 248 B4R0.2 NOCCO SY007135 [1,1,0,0,0,0|0,0,0]=2 249 B4R0.2 OCCCBr SY001898 [1,1,0,0,0,0|0,0,0]=2 250 B4R0.2 OCCCF SY033053 [1,1,0,0,0,0|0,0,0]=2 251 B4R0.2 OCCCI SY016401 [1,1,0,0,0,0|0,0,0]=2 252 B4R0.3 CS(C)(=N)=O SY037343 [1,1,0,0,0,0|1,0,1]=4 253 B4R0.3 C[N+](C)(C)C SY037155 [1,1,0,0,0,0|2,0,0]=4 254 B4R0.3 C[N+](C)(C)[O-] SY010773 [1,1,0,0,0,0|1,0,1]=4 255 B4R0.3 C[S+](C)(C)=O SY002188 [1,1,0,0,0,0|1,0,1]=4 256 B4R0.3 C[S+](C)(C)=O SY036350 [1,1,0,0,0,0|1,0,1]=4 257 B4R0.3 C[S+](C)(C)=O SY039178 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.1 C=CC(O)CCC SY048915 [0,2,0,0,0,0|1,0,1]=4 259 B6R0.1 C=CC[C@H](C)C=O SY018347 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.1 CCC(=O)COC SY190908 [0,2,0,0,0,0|0,0,2]=4 261 B6R0.1 CCCC(C)CN SY271841 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.1 CCCC(O)CO SY032914 [0,2,0,0,0,0|0,0,0]=2 263 B6R0.1 CCC[C@@H](N)CF SY045881 [0,2,0,0,0,0|2,0,0]=4 264 B6R0.1 CCC[C@@H](N)CO SY038521 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.1 CCC[C@H](N)CF SY045882 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.1 CCC[C@H](N)CO SY017944 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.1 CCOC(=O)CO SY002762 [0,2,0,0,0,0|0,0,2]=4 268 B6R0.1 CN(C=O)CCO SY038247 [0,2,0,0,0,0|1,0,1]=4 269 B6R0.1 CNC(=O)CCO SY083761 [0,2,0,0,0,0|0,0,2]=4 270 B6R0.1 CNC[C@@H](O)CO SY294795 [0,2,0,0,0,0|0,0,0]=2 271 B6R0.1 COC(=O)CCO SY008913 [0,2,0,0,0,0|0,0,2]=4 272 B6R0.1 COC[C@@H](O)CN SY236677 [0,2,0,0,0,0|0,0,0]=2 273 B6R0.1 COC[C@H](O)CN SY199877 [0,2,0,0,0,0|0,0,0]=2 274 B6R0.1 N#CC[C@@H](O)CCl SY037767 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.1 N#CC[C@H](O)CCl SY037768 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.1 NCCC(O)CO SY260308 [0,2,0,0,0,0|0,0,0]=2 277 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,2,0,0,0,0|0,0,1]=3 278 B6R0.1 OCCC(O)CO SY003295 [0,2,0,0,0,0|0,0,0]=2 279 B6R0.1 OCC[C@H](O)CO SY274042 [0,2,0,0,0,0|0,0,0]=2 280 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.2 CC(C)CB(O)O SY002441 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.2 CC(C)NC(C)C SY110478 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.2 CC(C)NC(C)C SY235485 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.2 CC(C)[NH2+]C(C)C SY037975 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.2 CC(N)CC(=O)O SY022577 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.2 CN(C)CC(=O)O SY001194 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.2 CN(C)CC(=O)O SY005006 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,2,0,0,0,0|0,0,1]=3 292 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,2,0,0,0,0|1,0,0]=3 293 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [0,2,0,0,0,0|0,0,0]=2 295 B6R0.2 O=C(O)CC(=O)O SY001875 [0,2,0,0,0,0|1,0,1]=4 296 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.3 CC(C)C(=N)NO SY010510 [0,2,0,0,0,0|1,0,1]=4 298 B6R0.3 CC(C)C(=N)NO SY129127 [0,2,0,0,0,0|1,0,1]=4 299 B6R0.3 CC(C)C(=O)CN SY186390 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.3 CC(C)C(N)CF SY045876 [0,2,0,0,0,0|2,0,0]=4 301 B6R0.3 CC(C)C(N)CO SY006455 [0,2,0,0,0,0|1,0,0]=3 302 B6R0.3 CC(C)[C@@H](N)CF SY045875 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,2,0,0,0,0|1,0,0]=3 304 B6R0.3 CC(C)[C@H](N)CF SY045871 [0,2,0,0,0,0|2,0,0]=4 305 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.3 CCC(C)B(O)O SY030879 [0,2,0,0,0,0|1,0,0]=3 307 B6R0.3 CCC(N)C(=O)O SY005223 [0,2,0,0,0,0|1,0,1]=4 308 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,2,0,0,0,0|1,0,1]=4 309 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,2,0,0,0,0|1,0,1]=4 311 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,2,0,0,0,0|1,0,1]=4 313 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,2,0,0,0,0|0,0,1]=3 314 B6R0.3 CNC(C)C(=O)O SY006014 [0,2,0,0,0,0|1,0,1]=4 315 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,2,0,0,0,0|1,0,1]=4 317 B6R0.3 COC(=N)C(C)C SY274570 [0,2,0,0,0,0|1,0,1]=4 318 B6R0.3 COC(=O)C(C)N SY008132 [0,2,0,0,0,0|1,0,1]=4 319 B6R0.3 COC(=O)[C@@H](C)N SY008138 [0,2,0,0,0,0|1,0,1]=4 320 B6R0.3 COC(=O)[C@H](C)N SY005420 [0,2,0,0,0,0|1,0,1]=4 321 B6R0.3 COC(C)C(=O)O SY034306 [0,2,0,0,0,0|0,0,1]=3 322 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,2,0,0,0,0|0,0,1]=3 323 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [0,2,0,0,0,0|0,0,0]=2 326 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [0,2,0,0,0,0|0,0,1]=3 327 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [0,2,0,0,0,0|0,0,0]=2 330 B6R0.3 C[C@H](ON)C(=O)O SY286489 [0,2,0,0,0,0|0,0,1]=3 331 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.3 NC(CO)C(=O)O SY003812 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.3 NC(CS)C(=O)O SY009625 [0,2,0,0,0,0|1,0,1]=4 334 B6R0.3 NCC(Br)C(=O)O SY297906 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.3 NCC(N)C(=O)O SY017516 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.3 NCC(O)C(=O)O SY007745 [0,2,0,0,0,0|0,0,1]=3 337 B6R0.3 NCC(O)C(F)F SY060649 [0,2,0,0,0,0|1,0,0]=3 338 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,2,0,0,0,0|1,0,1]=4 339 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,2,0,0,0,0|0,0,1]=3 341 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,2,0,0,0,0|1,0,1]=4 342 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,2,0,0,0,0|1,0,1]=4 344 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,2,0,0,0,0|1,0,1]=4 345 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,2,0,0,0,0|1,0,0]=3 346 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.3 O=C(O)C(Br)CO SY261671 [0,2,0,0,0,0|1,0,0]=3 349 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.3 OC(CBr)C(F)F SY129318 [0,2,0,0,0,0|1,0,0]=3 351 B6R0.4 C=CCC[C@H](C)O SY307699 [0,2,0,0,0,0|1,0,0]=3 352 B6R0.4 CC(=O)CCCO SY002852 [0,2,0,0,0,0|0,0,2]=4 353 B6R0.4 CC(C)CCCO SY016761 [0,2,0,0,0,0|1,0,0]=3 354 B6R0.4 CC(C)CCNN SY048082 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.4 CC(C)CCON SY045359 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.4 CC(C)CCON SY281670 [0,2,0,0,0,0|1,0,0]=3 357 B6R0.4 CC(C)NCCCl SY028925 [0,2,0,0,0,0|2,0,0]=4 358 B6R0.4 CC(C)OCC=O SY269035 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.4 CC(C)OCCBr SY031858 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.4 CC(Cl)CCCO SY207412 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.4 CC(O)CCCO SY239899 [0,2,0,0,0,0|0,0,0]=2 362 B6R0.4 COCCC(=O)O SY028921 [0,2,0,0,0,0|1,0,1]=4 363 B6R0.4 O=C(O)C#CCO SY046324 [0,2,0,0,0,0|1,0,1]=4 364 B6R0.4 O=C(O)\C=C\CO SY032954 [0,2,0,0,0,0|1,0,1]=4 365 B6R0.5 C=CCC(C)(C)N SY264947 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.5 CC(C)(C)CCBr SY031960 [0,2,0,0,0,0|2,0,0]=4 367 B6R0.5 CC(C)(C)CCN SY123555 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.5 CC(C)(C)CON SY149479 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.5 CC(C)(C)CON SY281749 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.5 CC(C)(I)CCO SY248398 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.5 CC(C)(N)CCO SY025601 [0,2,0,0,0,0|1,0,0]=3 372 B6R0.5 CC(C)(N)CCO SY029973 [0,2,0,0,0,0|1,0,0]=3 373 B6R0.5 CC(C)(O)CCBr SY043014 [0,2,0,0,0,0|1,0,0]=3 374 B6R0.5 CC(C)(O)CON SY164879 [0,2,0,0,0,0|0,0,0]=2 375 B6R0.5 CNCC(C)(C)O SY123563 [0,2,0,0,0,0|1,0,0]=3 376 B6R0.5 COCC(C)(C)N SY023626 [0,2,0,0,0,0|1,0,0]=3 377 B6R0.5 COCC(C)(C)N SY026408 [0,2,0,0,0,0|1,0,0]=3 378 B6R0.5 COCC(C)(C)O SY285974 [0,2,0,0,0,0|0,0,0]=2 379 B6R0.5 CS(=O)(=O)CCO SY049666 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.5 CSCC(C)(C)N SY196988 [0,2,0,0,0,0|1,1,0]=4 381 B6R0.5 C[N+](C)(C)CCO SY129307 [0,2,0,0,0,0|2,0,0]=4 382 B6R0.8 C#CC(C)(N)CC SY027300 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.8 C=CC(C)(O)CBr SY266264 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.8 CC(C)(C#N)CBr SY250128 [0,2,0,0,0,0|2,0,0]=4 385 B6R0.8 CC(C)(C#N)CO SY045527 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.8 CC(C)(C=O)CO SY107563 [0,2,0,0,0,0|0,0,1]=3 387 B6R0.8 CC(C)(CBr)CBr SY038454 [0,2,0,0,0,0|2,0,0]=4 388 B6R0.8 CC(C)(CN)CF SY276712 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.8 CC(C)(CO)CBr SY039504 [0,2,0,0,0,0|1,0,0]=3 390 B6R0.8 CC(O)(CO)CO SY224166 [0,2,0,0,0,0|0,0,0]=2 391 B6R0.8 CCC(C)(N)C#N SY026944 [0,2,0,0,0,0|2,0,0]=4 392 B6R0.8 CNC(C)(C)CBr SY283913 [0,2,0,0,0,0|2,0,0]=4 393 B6R0.8 CNC(C)(C)CO SY033902 [0,2,0,0,0,0|1,0,0]=3 394 B6R0.8 COC(C)(C)CBr SY007681 [0,2,0,0,0,0|1,0,0]=3 395 B6R0.8 COC(C)(C)CN SY195711 [0,2,0,0,0,0|1,0,0]=3 396 B6R0.8 COC(C)(C)CO SY162215 [0,2,0,0,0,0|0,0,0]=2 397 B6R0.8 NCC(F)(F)CO SY031111 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.8 OCC(F)(F)CO SY026989 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.9 CCC(C#N)CC SY059782 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.9 CCC(CC)NC SY023477 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.9 COC(CO)OC SY122147 [0,2,0,0,0,0|0,0,0]=2 402 B6R0.9 OCC(CO)CO SY026482 [0,2,0,0,0,0|0,0,0]=2 403 B6R0.7 CC(C)(N)C(=O)O SY002590 [0,2,0,0,0,0|1,0,1]=4 404 B6R0.7 CC(C)(O)C(=O)O SY001526 [0,2,0,0,0,0|0,0,1]=3 405 B6R0.7 CC(C)(O)C(N)=O SY035592 [0,2,0,0,0,0|0,0,2]=4 406 B6R0.7 CC(N)C(C)(C)O SY180465 [0,2,0,0,0,0|1,0,0]=3 407 B6R0.7 CC(N)C(F)(F)F SY109914 [0,2,0,0,0,0|2,0,0]=4 408 B6R0.7 CC(O)C(C)(C)N SY146666 [0,2,0,0,0,0|1,0,0]=3 409 B6R0.7 CC(O)C(F)(F)F SY024147 [0,2,0,0,0,0|1,0,0]=3 410 B6R0.7 C[C@@H](N)C(F)(F)F SY019584 [0,2,0,0,0,0|2,0,0]=4 411 B6R0.7 C[C@H](N)C(F)(F)F SY019582 [0,2,0,0,0,0|2,0,0]=4 412 B6R0.7 C[C@H](O)C(F)(F)F SY262173 [0,2,0,0,0,0|1,0,0]=3 413 B4R1.2 IC1CC1 SY046875 [1,0,0,1,0,0|1,0,0]=3 414 B4R1.2 O=C1CC1 SY037762 [1,0,0,1,0,0|0,0,2]=4 415 B4R1.2 OC1CC1 SY028267 [1,0,0,1,0,0|0,0,0]=2 416 B6R1.2 CC1CCCN1 SY042657 [0,1,0,1,0,0|2,0,0]=4 417 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,1,0,1,0,0|2,0,0]=4 418 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,1,0,1,0,0|2,0,0]=4 419 B6R1.2 C[C@H]1CCCN1 SY019821 [0,1,0,1,0,0|2,0,0]=4 420 B6R1.2 C[C@H]1CCNC1 SY097402 [0,1,0,1,0,0|2,0,0]=4 421 B6R1.2 ClC1CCOC1 SY185690 [0,1,0,1,0,0|1,0,0]=3 422 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,1,0,1,0,0|2,0,0]=4 423 B6R1.2 FC1CCNC1 SY032538 [0,1,0,1,0,0|2,0,0]=4 424 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,1,0,1,0,0|2,0,0]=4 425 B6R1.2 F[C@H]1CCNC1 SY008512 [0,1,0,1,0,0|2,0,0]=4 426 B6R1.2 IC1CCCC1 SY019127 [0,1,0,1,0,0|2,0,0]=4 427 B6R1.2 IC1CCOC1 SY042009 [0,1,0,1,0,0|1,0,0]=3 428 B6R1.2 NC1CC=CC1 SY019807 [0,1,0,1,0,0|2,0,0]=4 429 B6R1.2 NC1CCNC1 SY005919 [0,1,0,1,0,0|2,0,0]=4 430 B6R1.2 NC1CCOC1 SY003277 [0,1,0,1,0,0|1,0,0]=3 431 B6R1.2 NC1CCOC1 SY042059 [0,1,0,1,0,0|1,0,0]=3 432 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,1,0,1,0,0|1,0,0]=3 433 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,1,0,1,0,0|1,0,0]=3 434 B6R1.2 N[C@H]1CCNC1 SY057131 [0,1,0,1,0,0|2,0,0]=4 435 B6R1.2 N[C@H]1CCOC1 SY020664 [0,1,0,1,0,0|1,0,0]=3 436 B6R1.2 N[C@H]1CCOC1 SY024406 [0,1,0,1,0,0|1,0,0]=3 437 B6R1.2 O=C1CCOC1 SY003100 [0,1,0,1,0,0|0,0,2]=4 438 B6R1.2 OC1CC=CC1 SY007884 [0,1,0,1,0,0|1,0,0]=3 439 B6R1.2 OC1CCCO1 SY016132 [0,1,0,1,0,0|1,0,0]=3 440 B6R1.2 OC1CCNC1 SY001203 [0,1,0,1,0,0|1,0,0]=3 441 B6R1.2 OC1CCNC1 SY003143 [0,1,0,1,0,0|1,0,0]=3 442 B6R1.2 OC1CCOC1 SY003288 [0,1,0,1,0,0|0,0,0]=2 443 B6R1.2 OC1CCSC1 SY185762 [0,1,0,1,0,0|0,1,0]=3 444 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,1,0,1,0,0|1,0,0]=3 445 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,1,0,1,0,0|1,0,0]=3 446 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,1,0,1,0,0|0,0,0]=2 447 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,1,0,1,0,0|0,0,0]=2 448 B6R1.2 O[C@H]1CCNC1 SY003190 [0,1,0,1,0,0|1,0,0]=3 449 B6R1.2 O[C@H]1CCNC1 SY007382 [0,1,0,1,0,0|1,0,0]=3 450 B6R1.2 O[C@H]1CCOC1 SY003096 [0,1,0,1,0,0|0,0,0]=2 451 B6R1.2 O[C@H]1CNOC1 SY021785 [0,1,0,1,0,0|0,0,0]=2 452 B6R1.3 BrCCC1CC1 SY023093 [0,1,0,1,0,0|2,0,0]=4 453 B6R1.3 BrCCC1CO1 SY021183 [0,1,0,1,0,0|1,0,0]=3 454 B6R1.3 CCNC1CC1 SY027577 [0,1,0,1,0,0|2,0,0]=4 455 B6R1.3 CCNC1CC1 SY027695 [0,1,0,1,0,0|2,0,0]=4 456 B6R1.3 CNCC1CC1 SY029533 [0,1,0,1,0,0|2,0,0]=4 457 B6R1.3 CNCC1CC1 SY029534 [0,1,0,1,0,0|2,0,0]=4 458 B6R1.3 N#CCC1CC1 SY058947 [0,1,0,1,0,0|2,0,0]=4 459 B6R1.3 NCCC1CC1 SY042128 [0,1,0,1,0,0|2,0,0]=4 460 B6R1.3 NNCC1CC1 SY013383 [0,1,0,1,0,0|2,0,0]=4 461 B6R1.3 NNCC1CC1 SY042147 [0,1,0,1,0,0|2,0,0]=4 462 B6R1.3 NOCC1CC1 SY101356 [0,1,0,1,0,0|1,0,0]=3 463 B6R1.3 OCCC1CC1 SY041938 [0,1,0,1,0,0|1,0,0]=3 464 B6R1.5 CC1CC(O)C1 SY203262 [0,1,0,1,0,0|1,0,0]=3 465 B6R1.5 CN1CC(N)C1 SY022763 [0,1,0,1,0,0|2,0,0]=4 466 B6R1.5 CN1CC(O)C1 SY017235 [0,1,0,1,0,0|1,0,0]=3 467 B6R1.5 CN1CC(O)C1 SY029236 [0,1,0,1,0,0|1,0,0]=3 468 B6R1.5 C[C@H]1C[C@H](C)N1 SY310795 [0,1,0,1,0,0|2,0,0]=4 469 B6R1.5 NC1CC(=O)C1 SY022838 [0,1,0,1,0,0|1,0,1]=4 470 B6R1.5 NC1CC(F)C1 SY097608 [0,1,0,1,0,0|2,0,0]=4 471 B6R1.5 NC1CC(O)C1 SY016148 [0,1,0,1,0,0|1,0,0]=3 472 B6R1.5 NC1CC(O)C1 SY025077 [0,1,0,1,0,0|1,0,0]=3 473 B6R1.5 N[C@H]1C[C@@H](O)C1 SY035914 [0,1,0,1,0,0|1,0,0]=3 474 B6R1.5 N[C@H]1C[C@@H](O)C1 SY039961 [0,1,0,1,0,0|1,0,0]=3 475 B6R1.5 N[C@H]1C[C@H](F)C1 SY099957 [0,1,0,1,0,0|2,0,0]=4 476 B6R1.5 N[C@H]1C[C@H](O)C1 SY035915 [0,1,0,1,0,0|1,0,0]=3 477 B6R1.5 O=C1CC(Br)C1 SY029031 [0,1,0,1,0,0|1,0,1]=4 478 B6R1.5 OC1CC(O)C1 SY233801 [0,1,0,1,0,0|0,0,0]=2 479 B6R1.9 NC1CC1(F)F SY058139 [0,1,0,1,0,0|2,0,0]=4 480 B6R1.10 CC1(C)CCN1 SY310792 [0,1,0,1,0,0|2,0,0]=4 481 B6R1.10 CC1(C)CNC1 SY026161 [0,1,0,1,0,0|2,0,0]=4 482 B6R1.10 CC1(F)CNC1 SY042333 [0,1,0,1,0,0|2,0,0]=4 483 B6R1.10 CC1(N)CCC1 SY025586 [0,1,0,1,0,0|2,0,0]=4 484 B6R1.10 CC1(N)COC1 SY051262 [0,1,0,1,0,0|1,0,0]=3 485 B6R1.10 CC1(N)COC1 SY097567 [0,1,0,1,0,0|1,0,0]=3 486 B6R1.10 CC1(O)CCC1 SY196215 [0,1,0,1,0,0|1,0,0]=3 487 B6R1.10 CC1(O)CNC1 SY035860 [0,1,0,1,0,0|1,0,0]=3 488 B6R1.10 CC1(O)CNC1 SY111204 [0,1,0,1,0,0|1,0,0]=3 489 B6R1.10 CC1(O)COC1 SY097550 [0,1,0,1,0,0|0,0,0]=2 490 B6R1.10 FC1(F)CNC1 SY020003 [0,1,0,1,0,0|2,0,0]=4 491 B6R1.11 CC(N)C1CC1 SY023598 [0,1,0,1,0,0|2,0,0]=4 492 B6R1.11 C[C@@H](N)C1CC1 SY111958 [0,1,0,1,0,0|2,0,0]=4 493 B6R1.11 C[C@H](N)C1CC1 SY099127 [0,1,0,1,0,0|2,0,0]=4 494 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [0,1,0,1,0,0|0,0,1]=3 495 B6R1.11 OB(O)C1CC1 SY004028 [0,1,0,1,0,0|2,0,0]=4 496 B6R1.4 CC1CCC1O SY161762 [0,1,0,1,0,0|1,0,0]=3 497 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [0,1,0,1,0,0|2,0,0]=4 498 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [0,1,0,1,0,0|2,0,0]=4 499 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,1,0,1,0,0|1,0,0]=3 500 B6R1.4 OC1CCC1O SY301012 [0,1,0,1,0,0|0,0,0]=2 501 B6R1.6 BrCC1CNC1 SY267476 [0,1,0,1,0,0|2,0,0]=4 502 B6R1.6 BrCC1COC1 SY059797 [0,1,0,1,0,0|1,0,0]=3 503 B6R1.6 C#CC1CCO1 SY284813 [0,1,0,1,0,0|1,0,1]=4 504 B6R1.6 C#CC1CNC1 SY233830 [0,1,0,1,0,0|2,0,0]=4 505 B6R1.6 C#CC1CNC1 SY284819 [0,1,0,1,0,0|2,0,0]=4 506 B6R1.6 C#CC1COC1 SY234079 [0,1,0,1,0,0|1,0,0]=3 507 B6R1.6 CNC1COC1 SY047195 [0,1,0,1,0,0|1,0,0]=3 508 B6R1.6 COC1CNC1 SY021482 [0,1,0,1,0,0|1,0,0]=3 509 B6R1.6 FCC1CNC1 SY127600 [0,1,0,1,0,0|2,0,0]=4 510 B6R1.6 ICC1CCC1 SY073415 [0,1,0,1,0,0|2,0,0]=4 511 B6R1.6 N#CC1CNC1 SY032760 [0,1,0,1,0,0|2,0,0]=4 512 B6R1.6 N#CC1COC1 SY226783 [0,1,0,1,0,0|1,0,0]=3 513 B6R1.6 NCC1CCC1 SY035875 [0,1,0,1,0,0|2,0,0]=4 514 B6R1.6 NCC1CCO1 SY035857 [0,1,0,1,0,0|1,0,0]=3 515 B6R1.6 NCC1COC1 SY025447 [0,1,0,1,0,0|1,0,0]=3 516 B6R1.6 NCC1COC1 SY098725 [0,1,0,1,0,0|1,0,0]=3 517 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,1,0,1,0,0|1,0,0]=3 518 B6R1.6 NC[C@H]1CCO1 SY262606 [0,1,0,1,0,0|1,0,0]=3 519 B6R1.6 O=CC1CCC1 SY019700 [0,1,0,1,0,0|1,0,1]=4 520 B6R1.6 O=CC1COC1 SY097875 [0,1,0,1,0,0|0,0,1]=3 521 B6R1.6 OCC1CCO1 SY042053 [0,1,0,1,0,0|0,0,0]=2 522 B6R1.6 OCC1CNC1 SY024106 [0,1,0,1,0,0|1,0,0]=3 523 B6R1.6 OCC1COC1 SY009472 [0,1,0,1,0,0|0,0,0]=2 524 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,1,0,1,0,0|0,0,0]=2 525 B6R1.6 ON=C1CCC1 SY185260 [0,1,0,1,0,0|1,0,1]=4 526 B6R1.7 C#CC1(C)CC1 SY058218 [0,1,0,1,0,0|2,0,0]=4 527 B6R1.7 CC1(C=O)CC1 SY310800 [0,1,0,1,0,0|1,0,1]=4 528 B6R1.7 CC1(CBr)CO1 SY247742 [0,1,0,1,0,0|1,0,0]=3 529 B6R1.7 CC1(CN)CC1 SY029652 [0,1,0,1,0,0|2,0,0]=4 530 B6R1.7 CC1(CO)CC1 SY029659 [0,1,0,1,0,0|1,0,0]=3 531 B6R1.7 CC1(CO)CO1 SY028746 [0,1,0,1,0,0|0,0,0]=2 532 B6R1.7 C[C@]1(CO)CO1 SY028745 [0,1,0,1,0,0|0,0,0]=2 533 B6R1.7 NC1(CF)CC1 SY040347 [0,1,0,1,0,0|2,0,0]=4 534 B6R1.7 NC1(CO)CC1 SY017513 [0,1,0,1,0,0|1,0,0]=3 535 B6R1.7 NC1(CO)CC1 SY047102 [0,1,0,1,0,0|1,0,0]=3 536 B6R1.7 NCC1(O)CC1 SY040047 [0,1,0,1,0,0|1,0,0]=3 537 B6R1.7 NCC1(O)CC1 SY102292 [0,1,0,1,0,0|1,0,0]=3 538 B6R1.7 OCC1(F)CC1 SY123971 [0,1,0,1,0,0|1,0,0]=3 539 B6R1.7 OCC1(O)CC1 SY123956 [0,1,0,1,0,0|0,0,0]=2