0 B5R1.1 C1=CCC=C1 SY010219 [0,0,0,0,0,0|1,0,3]=4 1 B5R1.1 C1=CCNC1 SY012047 [0,0,0,0,0,0|0,0,2]=2 2 B5R1.1 C1=CNC=N1 SY112845 [0,0,0,0,0,0|1,0,3]=4 3 B5R1.1 C1=NC=NN1 SY001414 [0,0,0,0,0,0|2,0,2]=4 4 B5R1.1 C1=NNN=C1 SY005819 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 C=C1CCNC1 SY038558 [0,1,0,0,0,0|0,0,1]=2 6 B6R1.2 CC1=NCCC1 SY015490 [0,1,0,0,0,0|0,0,2]=3 7 B6R1.2 CC1CCCN1 SY042657 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 CN1CCNC1 SY251230 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,1,0,0,0,0|0,0,0]=1 10 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,1,0,0,0,0|0,0,0]=1 11 B6R1.2 C[C@H]1CCCN1 SY019821 [0,1,0,0,0,0|0,0,0]=1 12 B6R1.2 C[C@H]1CCNC1 SY097402 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 C[S+]1CCCC1 SY251130 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 ClC1CCOC1 SY185690 [0,1,0,0,0,0|1,0,0]=2 15 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,1,0,0,0,0|0,0,0]=1 16 B6R1.2 FC1CCNC1 SY032538 [0,1,0,0,0,0|0,0,0]=1 17 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,1,0,0,0,0|0,0,0]=1 18 B6R1.2 F[C@H]1CCNC1 SY008512 [0,1,0,0,0,0|0,0,0]=1 19 B6R1.2 IC1CCCC1 SY019127 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 IC1CCOC1 SY042009 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 NC1=NCCC1 SY030217 [0,1,0,0,0,0|0,0,2]=3 22 B6R1.2 NC1CC=CC1 SY019807 [0,1,0,0,0,0|1,0,1]=3 23 B6R1.2 NC1CCNC1 SY005919 [0,1,0,0,0,0|0,0,0]=1 24 B6R1.2 NC1CCOC1 SY003277 [0,1,0,0,0,0|1,0,0]=2 25 B6R1.2 NC1CCOC1 SY042059 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 N[C@H]1CCNC1 SY057131 [0,1,0,0,0,0|0,0,0]=1 29 B6R1.2 N[C@H]1CCOC1 SY020664 [0,1,0,0,0,0|1,0,0]=2 30 B6R1.2 N[C@H]1CCOC1 SY024406 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 O=C1C=CCN1 SY032773 [0,1,0,0,0,0|0,0,3]=4 32 B6R1.2 O=C1CC=NN1 SY211686 [0,1,0,0,0,0|1,0,2]=4 33 B6R1.2 O=C1CCNC1 SY019727 [0,1,0,0,0,0|0,0,1]=2 34 B6R1.2 O=C1CCNN1 SY073624 [0,1,0,0,0,0|1,0,1]=3 35 B6R1.2 O=C1CCOC1 SY003100 [0,1,0,0,0,0|1,0,1]=3 36 B6R1.2 O=C1NCCO1 SY003480 [0,1,0,0,0,0|1,0,1]=3 37 B6R1.2 O=C1NCCS1 SY037960 [0,1,0,0,0,0|1,0,1]=3 38 B6R1.2 O=S1OCCO1 SY036937 [0,1,0,0,0,0|3,0,0]=4 39 B6R1.2 OC1CC=CC1 SY007884 [0,1,0,0,0,0|1,0,1]=3 40 B6R1.2 OC1CCCO1 SY016132 [0,1,0,0,0,0|1,0,0]=2 41 B6R1.2 OC1CCNC1 SY001203 [0,1,0,0,0,0|0,0,0]=1 42 B6R1.2 OC1CCNC1 SY003143 [0,1,0,0,0,0|0,0,0]=1 43 B6R1.2 OC1CCOC1 SY003288 [0,1,0,0,0,0|1,0,0]=2 44 B6R1.2 OC1CCSC1 SY185762 [0,1,0,0,0,0|1,0,0]=2 45 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,1,0,0,0,0|0,0,0]=1 46 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,1,0,0,0,0|0,0,0]=1 47 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,1,0,0,0,0|1,0,0]=2 48 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,1,0,0,0,0|1,0,0]=2 49 B6R1.2 O[C@H]1CCNC1 SY003190 [0,1,0,0,0,0|0,0,0]=1 50 B6R1.2 O[C@H]1CCNC1 SY007382 [0,1,0,0,0,0|0,0,0]=1 51 B6R1.2 O[C@H]1CCOC1 SY003096 [0,1,0,0,0,0|1,0,0]=2 52 B6R1.2 O[C@H]1CNOC1 SY021785 [0,1,0,0,0,0|1,0,0]=2 53 B4R0.2 BrCCCI SY288042 [0,0,1,0,0,0|2,0,0]=3 54 B4R0.2 BrCOCBr SY231337 [0,0,1,0,0,0|3,0,0]=4 55 B4R0.2 C#CCCI SY026540 [0,0,1,0,0,0|1,0,2]=4 56 B4R0.2 C#CCCN SY007229 [0,0,1,0,0,0|0,0,2]=3 57 B4R0.2 C=CCCN SY036713 [0,0,1,0,0,0|0,0,2]=3 58 B4R0.2 C=CCNN SY076022 [0,0,1,0,0,0|1,0,2]=4 59 B4R0.2 C=CCON SY029026 [0,0,1,0,0,0|1,0,2]=4 60 B4R0.2 CC=CC[Pd+2] SY070788 [0,0,1,0,0,0|1,0,2]=4 61 B4R0.2 CCCNN SY048075 [0,0,1,0,0,0|1,0,0]=2 62 B4R0.2 CCCON SY096737 [0,0,1,0,0,0|1,0,0]=2 63 B4R0.2 CCOC=N SY041120 [0,0,1,0,0,0|1,0,2]=4 64 B4R0.2 CNCC#N SY003939 [0,0,1,0,0,0|1,0,1]=3 65 B4R0.2 CNCCBr SY044997 [0,0,1,0,0,0|1,0,0]=2 66 B4R0.2 CNCCF SY122542 [0,0,1,0,0,0|1,0,0]=2 67 B4R0.2 CNCCN SY023647 [0,0,1,0,0,0|1,0,0]=2 68 B4R0.2 COCC#N SY003878 [0,0,1,0,0,0|1,0,2]=4 69 B4R0.2 COCCI SY248715 [0,0,1,0,0,0|2,0,0]=3 70 B4R0.2 ClCCCI SY031611 [0,0,1,0,0,0|2,0,0]=3 71 B4R0.2 FCCCI SY025148 [0,0,1,0,0,0|2,0,0]=3 72 B4R0.2 ICCCI SY045006 [0,0,1,0,0,0|2,0,0]=3 73 B4R0.2 N#CCCO SY005485 [0,0,1,0,0,0|1,0,2]=4 74 B4R0.2 NCCCBr SY008325 [0,0,1,0,0,0|1,0,0]=2 75 B4R0.2 NCCCCl SY001694 [0,0,1,0,0,0|1,0,0]=2 76 B4R0.2 NCCCI SY154270 [0,0,1,0,0,0|1,0,0]=2 77 B4R0.2 NOCCO SY007135 [0,0,1,0,0,0|2,0,0]=3 78 B4R0.2 OCCCBr SY001898 [0,0,1,0,0,0|2,0,0]=3 79 B4R0.2 OCCCF SY033053 [0,0,1,0,0,0|2,0,0]=3 80 B4R0.2 OCCCI SY016401 [0,0,1,0,0,0|2,0,0]=3 81 B6R1.1 C1=CCNCC1 SY020557 [0,0,0,0,0,1|0,0,1]=2 82 B6R1.1 C1CCNNC1 SY028291 [0,0,0,0,0,1|0,0,0]=1 83 B6R1.1 C1CCONC1 SY105413 [0,0,0,0,0,1|0,0,0]=1 84 B6R1.1 C1COCCN1 SY059143 [0,0,0,0,0,1|0,0,0]=1 85 B6R1.1 C1CSCCN1 SY033134 [0,0,0,0,0,1|0,0,0]=1 86 B6R1.1 C1CSCSC1 SY014110 [0,0,0,0,0,1|1,0,0]=2 87 B3R0.1 CCON SY009566 [1,0,1,0,0,0|1,0,0]=3 88 B3R0.1 CNOC SY001763 [1,0,1,0,0,0|1,0,0]=3 89 B3R0.1 COCBr SY029084 [1,0,1,0,0,0|2,0,0]=4 90 B3R0.1 C[Se][Se]C SY048201 [1,0,1,0,0,0|2,0,0]=4 91 B3R0.1 FCCI SY024380 [1,0,1,0,0,0|2,0,0]=4 92 B3R0.1 ICCI SY045649 [1,0,1,0,0,0|2,0,0]=4 93 B3R0.1 NCCF SY009337 [1,0,1,0,0,0|1,0,0]=3 94 B3R0.1 NCCI SY155633 [1,0,1,0,0,0|1,0,0]=3 95 B5R0.1 CC(=O)CCN SY263173 [0,1,1,0,0,0|0,0,1]=3 96 B5R0.1 CC(=O)CCO SY002849 [0,1,1,0,0,0|1,0,1]=4 97 B5R0.1 CC(=O)NCO SY047960 [0,1,1,0,0,0|1,0,1]=4 98 B5R0.1 CC(C)CON SY013358 [0,1,1,0,0,0|1,0,0]=3 99 B5R0.1 CC(N)CCF SY299085 [0,1,1,0,0,0|1,0,0]=3 100 B5R0.1 CC(N)CCO SY030187 [0,1,1,0,0,0|1,0,0]=3 101 B5R0.1 CC(O)CCBr SY216789 [0,1,1,0,0,0|1,0,0]=3 102 B5R0.1 CCCB(O)O SY030878 [0,1,1,0,0,0|2,0,0]=4 103 B5R0.1 CCC[C@@H](C)O SY045083 [0,1,1,0,0,0|1,0,0]=3 104 B5R0.1 CCNC(C)=O SY016499 [0,1,1,0,0,0|0,0,1]=3 105 B5R0.1 CN(C)CC=O SY114927 [0,1,1,0,0,0|1,0,1]=4 106 B5R0.1 CN(C)CCBr SY004492 [0,1,1,0,0,0|1,0,0]=3 107 B5R0.1 CN(C)CCI SY219257 [0,1,1,0,0,0|1,0,0]=3 108 B5R0.1 CN(C)CCI SY247759 [0,1,1,0,0,0|1,0,0]=3 109 B5R0.1 CN(C)CCI SY247769 [0,1,1,0,0,0|1,0,0]=3 110 B5R0.1 CNCC(=O)O SY001630 [0,1,1,0,0,0|1,0,1]=4 111 B5R0.1 CNCC(C)O SY083968 [0,1,1,0,0,0|0,0,0]=2 112 B5R0.1 CNCC(F)F SY181997 [0,1,1,0,0,0|1,0,0]=3 113 B5R0.1 CNCC(N)=O SY059741 [0,1,1,0,0,0|1,0,1]=4 114 B5R0.1 CNC[C@H](C)O SY131109 [0,1,1,0,0,0|0,0,0]=2 115 B5R0.1 COCC(=N)N SY019943 [0,1,1,0,0,0|1,0,1]=4 116 B5R0.1 COCC(C)Br SY074290 [0,1,1,0,0,0|1,0,0]=3 117 B5R0.1 COC[C@@H](C)N SY034826 [0,1,1,0,0,0|1,0,0]=3 118 B5R0.1 COC[C@@H](C)N SY056838 [0,1,1,0,0,0|1,0,0]=3 119 B5R0.1 CSCC(N)=O SY040648 [0,1,1,0,0,0|1,0,1]=4 120 B5R0.1 CSCS(C)=O SY049552 [0,1,1,0,0,0|2,0,0]=4 121 B5R0.1 C[C@@H](O)CCO SY049450 [0,1,1,0,0,0|1,0,0]=3 122 B5R0.1 C[C@H](N)CC#N SY121969 [0,1,1,0,0,0|0,0,2]=4 123 B5R0.1 C[C@H](N)CC#N SY294704 [0,1,1,0,0,0|0,0,2]=4 124 B5R0.1 C[C@H](N)CCO SY022986 [0,1,1,0,0,0|1,0,0]=3 125 B5R0.1 NC(=O)CCBr SY014886 [0,1,1,0,0,0|1,0,1]=4 126 B5R0.1 NCCC(N)=O SY024863 [0,1,1,0,0,0|1,0,1]=4 127 B5R0.1 NCCC(N)=O SY101590 [0,1,1,0,0,0|1,0,1]=4 128 B5R0.1 NCC[N+](=O)[O-] SY279282 [0,1,1,0,0,0|2,0,0]=4 129 B5R0.2 C#CCCCO SY007472 [0,1,1,0,0,0|1,0,1]=4 130 B5R0.2 C#CCCOC SY261977 [0,1,1,0,0,0|1,0,1]=4 131 B5R0.2 C=CCCCCl SY115227 [0,1,1,0,0,0|1,0,1]=4 132 B5R0.2 C=CCCCN SY039810 [0,1,1,0,0,0|0,0,1]=3 133 B5R0.2 C=CCCON SY201687 [0,1,1,0,0,0|0,0,2]=4 134 B5R0.2 C=CCCON SY281557 [0,1,1,0,0,0|0,0,2]=4 135 B5R0.2 CCC#CCBr SY045110 [0,1,1,0,0,0|1,0,1]=4 136 B5R0.2 CCC#CCO SY048461 [0,1,1,0,0,0|1,0,1]=4 137 B5R0.2 CCCCNN SY048097 [0,1,1,0,0,0|0,0,0]=2 138 B5R0.2 CCCCON SY013356 [0,1,1,0,0,0|0,0,0]=2 139 B5R0.2 CCCCON SY019069 [0,1,1,0,0,0|0,0,0]=2 140 B5R0.2 CNCCSC SY020435 [0,1,1,0,0,0|0,0,0]=2 141 B5R0.2 COCCNN SY048076 [0,1,1,0,0,0|1,0,0]=3 142 B5R0.2 ClCCCCI SY049669 [0,1,1,0,0,0|1,0,0]=3 143 B5R0.2 ICCCCI SY037746 [0,1,1,0,0,0|1,0,0]=3 144 B5R0.2 N#CCCCBr SY012834 [0,1,1,0,0,0|0,0,2]=4 145 B5R0.2 N#CCCCCl SY001790 [0,1,1,0,0,0|0,0,2]=4 146 B5R0.2 NCCCCBr SY113500 [0,1,1,0,0,0|0,0,0]=2 147 B5R0.2 NCCCCN SY004150 [0,1,1,0,0,0|0,0,0]=2 148 B5R0.2 NCCCCO SY001196 [0,1,1,0,0,0|0,0,0]=2 149 B5R0.2 NCCCON SY273643 [0,1,1,0,0,0|1,0,0]=3 150 B5R0.2 NC\C=C\CCl SY261867 [0,1,1,0,0,0|0,0,2]=4 151 B5R0.2 NOCCCO SY204344 [0,1,1,0,0,0|1,0,0]=3 152 B5R0.2 NOCCCO SY281570 [0,1,1,0,0,0|1,0,0]=3 153 B5R0.3 CC(CBr)CBr SY038831 [0,1,1,0,0,0|2,0,0]=4 154 B5R0.3 CC(CI)CI SY248411 [0,1,1,0,0,0|2,0,0]=4 155 B5R0.3 CCC(Br)CC SY050135 [0,1,1,0,0,0|1,0,0]=3 156 B5R0.3 CC[C@@H](N)CO SY049464 [0,1,1,0,0,0|1,0,0]=3 157 B5R0.3 CC[C@H](N)CF SY045883 [0,1,1,0,0,0|1,0,0]=3 158 B5R0.3 CNC(=N)NC SY270827 [0,1,1,0,0,0|1,0,1]=4 159 B5R0.3 CNC(=O)CBr SY106596 [0,1,1,0,0,0|1,0,1]=4 160 B5R0.3 CNC(=O)CCl SY003250 [0,1,1,0,0,0|1,0,1]=4 161 B5R0.3 CNC(=O)CN SY024913 [0,1,1,0,0,0|1,0,1]=4 162 B5R0.3 CNC(=O)CN SY066423 [0,1,1,0,0,0|1,0,1]=4 163 B5R0.3 CNC(=O)NC SY004507 [0,1,1,0,0,0|1,0,1]=4 164 B5R0.3 CNC(C)C#N SY019549 [0,1,1,0,0,0|1,0,1]=4 165 B5R0.3 CNC(C)CO SY082195 [0,1,1,0,0,0|1,0,0]=3 166 B5R0.3 COC(=O)CN SY001589 [0,1,1,0,0,0|1,0,1]=4 167 B5R0.3 COC(C)CBr SY298794 [0,1,1,0,0,0|2,0,0]=4 168 B5R0.3 CO[C@@H](C)CN SY114788 [0,1,1,0,0,0|1,0,0]=3 169 B5R0.3 FCC(I)CF SY249443 [0,1,1,0,0,0|2,0,0]=4 170 B5R0.3 NCC(Br)CBr SY006726 [0,1,1,0,0,0|1,0,0]=3 171 B5R0.3 NCC(F)CO SY260924 [0,1,1,0,0,0|1,0,0]=3 172 B5R0.3 NCC(O)CN SY013661 [0,1,1,0,0,0|1,0,0]=3 173 B5R0.3 NC[C@@H](O)CO SY008127 [0,1,1,0,0,0|1,0,0]=3 174 B5R0.3 NC[C@H](O)CBr SY294054 [0,1,1,0,0,0|1,0,0]=3 175 B5R0.3 NC[C@H](O)CCl SY060396 [0,1,1,0,0,0|1,0,0]=3 176 B5R0.3 OC(CBr)CBr SY012889 [0,1,1,0,0,0|2,0,0]=4 177 B5R1.2 BrC1CCC1 SY013810 [0,1,0,0,1,0|0,0,0]=2 178 B5R1.2 BrC1CNC1 SY097761 [0,1,0,0,1,0|0,0,0]=2 179 B5R1.2 CC1CCN1 SY099118 [0,1,0,0,1,0|0,0,0]=2 180 B5R1.2 CC1CNC1 SY056983 [0,1,0,0,1,0|0,0,0]=2 181 B5R1.2 C[C@@H]1CCN1 SY261901 [0,1,0,0,1,0|0,0,0]=2 182 B5R1.2 C[C@H]1CCN1 SY249704 [0,1,0,0,1,0|0,0,0]=2 183 B5R1.2 ClC1COC1 SY059296 [0,1,0,0,1,0|1,0,0]=3 184 B5R1.2 FC1CNC1 SY018074 [0,1,0,0,1,0|0,0,0]=2 185 B5R1.2 IC1CCC1 SY233989 [0,1,0,0,1,0|0,0,0]=2 186 B5R1.2 IC1COC1 SY009160 [0,1,0,0,1,0|1,0,0]=3 187 B5R1.2 NC1CCC1 SY013751 [0,1,0,0,1,0|0,0,0]=2 188 B5R1.2 NC1CNC1 SY033623 [0,1,0,0,1,0|0,0,0]=2 189 B5R1.2 NC1COC1 SY009105 [0,1,0,0,1,0|1,0,0]=3 190 B5R1.2 NC1CSC1 SY097616 [0,1,0,0,1,0|1,0,0]=3 191 B5R1.2 O=C1CNC1 SY027144 [0,1,0,0,1,0|0,0,1]=3 192 B5R1.2 O=C1COC1 SY003915 [0,1,0,0,1,0|1,0,1]=4 193 B5R1.2 OC1CNC1 SY002482 [0,1,0,0,1,0|0,0,0]=2 194 B5R1.2 OC1COC1 SY002910 [0,1,0,0,1,0|1,0,0]=3 195 B5R1.2 OC1CSC1 SY099721 [0,1,0,0,1,0|1,0,0]=3 196 B7R1.3 BrC1=CCCCC1 SY253165 [0,1,0,0,0,1|1,0,0]=3 197 B7R1.3 BrC1CCCOC1 SY005937 [0,1,0,0,0,1|1,0,0]=3 198 B7R1.3 BrC1CCNCC1 SY013399 [0,1,0,0,0,1|0,0,0]=2 199 B7R1.3 BrC1CCOCC1 SY002700 [0,1,0,0,0,1|1,0,0]=3 200 B7R1.3 C=C1CCNCC1 SY022740 [0,1,0,0,0,1|0,0,0]=2 201 B7R1.3 CC1CNCCO1 SY008226 [0,1,0,0,0,1|0,0,0]=2 202 B7R1.3 CC1COCCN1 SY028991 [0,1,0,0,0,1|0,0,0]=2 203 B7R1.3 CN1CCNCC1 SY102030 [0,1,0,0,0,1|0,0,0]=2 204 B7R1.3 CN1CCOCC1 SY262844 [0,1,0,0,0,1|0,0,0]=2 205 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,1,0,0,0,1|0,0,0]=2 206 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,1,0,0,0,1|0,0,0]=2 207 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,1,0,0,0,1|0,0,0]=2 208 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,1,0,0,0,1|0,0,0]=2 209 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,1,0,0,0,1|0,0,0]=2 210 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,1,0,0,0,1|0,0,0]=2 211 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,1,0,0,0,1|0,0,0]=2 212 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,1,0,0,0,1|0,0,0]=2 213 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,1,0,0,0,1|0,0,0]=2 214 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,1,0,0,0,1|0,0,0]=2 215 B7R1.3 C[C@H]1COCCN1 SY002673 [0,1,0,0,0,1|0,0,0]=2 216 B7R1.3 C[C@H]1COCCN1 SY023874 [0,1,0,0,0,1|0,0,0]=2 217 B7R1.3 ClC1C=CCCC1 SY054691 [0,1,0,0,0,1|1,0,0]=3 218 B7R1.3 ClC1CCNCC1 SY046580 [0,1,0,0,0,1|0,0,0]=2 219 B7R1.3 ClC1CCOCC1 SY051140 [0,1,0,0,0,1|1,0,0]=3 220 B7R1.3 FC1CCCNC1 SY010384 [0,1,0,0,0,1|0,0,0]=2 221 B7R1.3 FC1CCNCC1 SY010389 [0,1,0,0,0,1|0,0,0]=2 222 B7R1.3 FC1CCNCC1 SY020129 [0,1,0,0,0,1|0,0,0]=2 223 B7R1.3 IC1CCOCC1 SY004489 [0,1,0,0,0,1|1,0,0]=3 224 B7R1.3 NC1=NCCCN1 SY042627 [0,1,0,0,0,1|0,0,1]=3 225 B7R1.3 NC1=NCCCN1 SY270826 [0,1,0,0,0,1|0,0,1]=3 226 B7R1.3 NC1CCCNC1 SY020460 [0,1,0,0,0,1|0,0,0]=2 227 B7R1.3 NC1CCOCC1 SY013112 [0,1,0,0,0,1|1,0,0]=3 228 B7R1.3 NC1CCSCC1 SY042938 [0,1,0,0,0,1|1,0,0]=3 229 B7R1.3 N[C@@H]1CCCNC1 SY008763 [0,1,0,0,0,1|0,0,0]=2 230 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,1,0,0,0,1|1,0,0]=3 231 B7R1.3 N[C@H]1CCCNC1 SY009305 [0,1,0,0,0,1|0,0,0]=2 232 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,1,0,0,0,1|1,0,0]=3 233 B7R1.3 O=C1C=CCCN1 SY259179 [0,1,0,0,0,1|0,0,2]=4 234 B7R1.3 O=C1CC=CCN1 SY270920 [0,1,0,0,0,1|0,0,2]=4 235 B7R1.3 O=C1CCCCN1 SY011119 [0,1,0,0,0,1|0,0,0]=2 236 B7R1.3 O=C1CCCCO1 SY018264 [0,1,0,0,0,1|1,0,0]=3 237 B7R1.3 O=C1CCCCS1 SY222230 [0,1,0,0,0,1|1,0,0]=3 238 B7R1.3 O=C1CCCNC1 SY025656 [0,1,0,0,0,1|0,0,0]=2 239 B7R1.3 O=C1CCCOC1 SY003102 [0,1,0,0,0,1|1,0,0]=3 240 B7R1.3 O=C1CCNCC1 SY002027 [0,1,0,0,0,1|0,0,0]=2 241 B7R1.3 O=C1CCNCC1 SY107185 [0,1,0,0,0,1|0,0,0]=2 242 B7R1.3 O=C1CCSCC1 SY007101 [0,1,0,0,0,1|1,0,0]=3 243 B7R1.3 O=C1CNCCN1 SY002559 [0,1,0,0,0,1|0,0,1]=3 244 B7R1.3 O=C1CNCCO1 SY047308 [0,1,0,0,0,1|0,0,1]=3 245 B7R1.3 O=C1COCCN1 SY003974 [0,1,0,0,0,1|0,0,1]=3 246 B7R1.3 O=C1COCCO1 SY055447 [0,1,0,0,0,1|1,0,1]=4 247 B7R1.3 O=C1CSCCN1 SY082963 [0,1,0,0,0,1|0,0,1]=3 248 B7R1.3 O=C1NCCCO1 SY005699 [0,1,0,0,0,1|0,0,1]=3 249 B7R1.3 OC1CC=CCC1 SY264800 [0,1,0,0,0,1|1,0,0]=3 250 B7R1.3 OC1CCCCO1 SY009592 [0,1,0,0,0,1|1,0,0]=3 251 B7R1.3 OC1CCCNC1 SY002024 [0,1,0,0,0,1|0,0,0]=2 252 B7R1.3 OC1CCCOC1 SY021770 [0,1,0,0,0,1|1,0,0]=3 253 B7R1.3 OC1CCNCC1 SY025543 [0,1,0,0,0,1|0,0,0]=2 254 B7R1.3 OC1CCOCC1 SY002687 [0,1,0,0,0,1|1,0,0]=3 255 B7R1.3 OC1CCSCC1 SY019603 [0,1,0,0,0,1|1,0,0]=3 256 B7R1.3 OC1COCOC1 SY039164 [0,1,0,0,0,1|1,0,0]=3 257 B7R1.3 ON1CCNCC1 SY248545 [0,1,0,0,0,1|0,0,0]=2 258 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,1,0,0,0,1|0,0,0]=2 259 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,1,0,0,0,1|0,0,0]=2 260 B7R1.1 BrCC1CCOC1 SY042030 [0,2,0,0,0,0|1,0,0]=3 261 B7R1.1 BrCC1OCCO1 SY013531 [0,2,0,0,0,0|2,0,0]=4 262 B7R1.1 C#CC1CCCC1 SY047862 [0,2,0,0,0,0|1,0,0]=3 263 B7R1.1 C#CC1CCCO1 SY284812 [0,2,0,0,0,0|1,0,0]=3 264 B7R1.1 C#CC1CCNC1 SY284818 [0,2,0,0,0,0|0,0,0]=2 265 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,2,0,0,0,0|0,0,0]=2 266 B7R1.1 CNC1CCOC1 SY048009 [0,2,0,0,0,0|1,0,0]=3 267 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,2,0,0,0,0|1,0,0]=3 268 B7R1.1 COC1CCNC1 SY043121 [0,2,0,0,0,0|0,0,0]=2 269 B7R1.1 COC1CCNC1 SY097408 [0,2,0,0,0,0|0,0,0]=2 270 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,2,0,0,0,0|0,0,0]=2 271 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,2,0,0,0,0|0,0,0]=2 272 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,2,0,0,0,0|0,0,0]=2 273 B7R1.1 CSC1=NCCN1 SY063540 [0,2,0,0,0,0|1,0,1]=4 274 B7R1.1 ClCC1=NCCN1 SY046532 [0,2,0,0,0,0|1,0,1]=4 275 B7R1.1 ClCC1CCCO1 SY049357 [0,2,0,0,0,0|1,0,0]=3 276 B7R1.1 FCC1CCNC1 SY265543 [0,2,0,0,0,0|0,0,0]=2 277 B7R1.1 FC[C@H]1CCCN1 SY098832 [0,2,0,0,0,0|0,0,0]=2 278 B7R1.1 N#CC1CCCN1 SY026581 [0,2,0,0,0,0|0,0,0]=2 279 B7R1.1 N#CC1CCCO1 SY012529 [0,2,0,0,0,0|1,0,0]=3 280 B7R1.1 N#CC1CCNC1 SY021188 [0,2,0,0,0,0|0,0,0]=2 281 B7R1.1 N#CC1CCOC1 SY042080 [0,2,0,0,0,0|1,0,0]=3 282 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [0,2,0,0,0,0|0,0,0]=2 283 B7R1.1 N#C[C@@H]1CCNC1 SY096996 [0,2,0,0,0,0|0,0,0]=2 284 B7R1.1 N#C[C@H]1CCCN1 SY007468 [0,2,0,0,0,0|0,0,0]=2 285 B7R1.1 NCC1CCCC1 SY013219 [0,2,0,0,0,0|1,0,0]=3 286 B7R1.1 NCC1CCCC1 SY025882 [0,2,0,0,0,0|1,0,0]=3 287 B7R1.1 NCC1CCOC1 SY042027 [0,2,0,0,0,0|1,0,0]=3 288 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,2,0,0,0,0|1,0,0]=3 289 B7R1.1 NN[C@@H]1CCOC1 SY295255 [0,2,0,0,0,0|1,0,0]=3 290 B7R1.1 O=CC1CCCC1 SY004589 [0,2,0,0,0,0|1,0,0]=3 291 B7R1.1 O=CC1CCCO1 SY024520 [0,2,0,0,0,0|1,0,0]=3 292 B7R1.1 O=CC1CCOC1 SY046752 [0,2,0,0,0,0|1,0,0]=3 293 B7R1.1 O=CN1CCCC1 SY252984 [0,2,0,0,0,0|0,0,0]=2 294 B7R1.1 O=NN1CCCC1 SY115826 [0,2,0,0,0,0|0,0,0]=2 295 B7R1.1 OCC1CC=CC1 SY019811 [0,2,0,0,0,0|1,0,1]=4 296 B7R1.1 OCC1CCCC1 SY006011 [0,2,0,0,0,0|1,0,0]=3 297 B7R1.1 OCC1CCCN1 SY013851 [0,2,0,0,0,0|0,0,0]=2 298 B7R1.1 OCC1CCNC1 SY018506 [0,2,0,0,0,0|0,0,0]=2 299 B7R1.1 OCC1CCNC1 SY021497 [0,2,0,0,0,0|0,0,0]=2 300 B7R1.1 OCC1CCOC1 SY030918 [0,2,0,0,0,0|1,0,0]=3 301 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,2,0,0,0,0|1,0,0]=3 302 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,2,0,0,0,0|0,0,0]=2 303 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,2,0,0,0,0|0,0,0]=2 304 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,2,0,0,0,0|1,0,0]=3 305 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,2,0,0,0,0|0,0,0]=2 306 B7R1.2 CC1CCC(=O)C1 SY003033 [0,2,0,0,0,0|1,0,0]=3 307 B7R1.2 CC1CCC(=O)O1 SY011304 [0,2,0,0,0,0|1,0,1]=4 308 B7R1.2 CC1CCC(C)N1 SY140252 [0,2,0,0,0,0|0,0,0]=2 309 B7R1.2 CC1CCC(N)C1 SY156765 [0,2,0,0,0,0|1,0,0]=3 310 B7R1.2 CC1CNC(=O)C1 SY065050 [0,2,0,0,0,0|0,0,1]=3 311 B7R1.2 CC1COC(=O)N1 SY037847 [0,2,0,0,0,0|1,0,1]=4 312 B7R1.2 CN1CCC(O)C1 SY005849 [0,2,0,0,0,0|0,0,0]=2 313 B7R1.2 CN1CC[C@@H](N)C1 SY096941 [0,2,0,0,0,0|0,0,0]=2 314 B7R1.2 CN1CC[C@@H](O)C1 SY031540 [0,2,0,0,0,0|0,0,0]=2 315 B7R1.2 CN1CC[C@H](N)C1 SY096895 [0,2,0,0,0,0|0,0,0]=2 316 B7R1.2 CN1CC[C@H](O)C1 SY003953 [0,2,0,0,0,0|0,0,0]=2 317 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,2,0,0,0,0|1,0,1]=4 318 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [0,2,0,0,0,0|0,0,0]=2 319 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,2,0,0,0,0|1,0,1]=4 320 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [0,2,0,0,0,0|0,0,0]=2 321 B7R1.2 NC1CCC(O)C1 SY097023 [0,2,0,0,0,0|1,0,0]=3 322 B7R1.2 NN1CCC(F)C1 SY308388 [0,2,0,0,0,0|0,0,0]=2 323 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SY021340 [0,2,0,0,0,0|1,0,0]=3 324 B7R1.2 N[C@@H]1CC[C@H](O)C1 SY045306 [0,2,0,0,0,0|1,0,0]=3 325 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,2,0,0,0,0|1,0,1]=4 326 B7R1.2 N[C@H]1CC[C@@H](O)C1 SY198445 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.2 N[C@H]1CC[C@H](O)C1 SY021301 [0,2,0,0,0,0|1,0,0]=3 328 B7R1.2 N[C@H]1CC[C@H](O)C1 SY259001 [0,2,0,0,0,0|1,0,0]=3 329 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,2,0,0,0,0|1,0,1]=4 330 B7R1.2 O=C1CC(O)CN1 SY031844 [0,2,0,0,0,0|0,0,1]=3 331 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,2,0,0,0,0|1,0,1]=4 332 B7R1.2 O=C1CCC(O)C1 SY040217 [0,2,0,0,0,0|1,0,0]=3 333 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,2,0,0,0,0|0,0,1]=3 334 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,2,0,0,0,0|1,0,1]=4 335 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,2,0,0,0,0|0,0,1]=3 336 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,2,0,0,0,0|1,0,1]=4 337 B7R1.4 CC1CCCC1=O SY045483 [0,2,0,0,0,0|1,0,0]=3 338 B7R1.4 CC1CCOC1=O SY051660 [0,2,0,0,0,0|1,0,1]=4 339 B7R1.4 CC1OCCC1=O SY001818 [0,2,0,0,0,0|1,0,1]=4 340 B7R1.4 CC1SCCC1=O SY003998 [0,2,0,0,0,0|1,0,1]=4 341 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,2,0,0,0,0|0,0,0]=2 342 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,2,0,0,0,0|1,0,0]=3 343 B7R1.4 F[C@@H]1CNC[C@H]1F SY270347 [0,2,0,0,0,0|0,0,0]=2 344 B7R1.4 F[C@H]1CNC[C@@H]1F SY301499 [0,2,0,0,0,0|0,0,0]=2 345 B7R1.4 F[C@H]1CNC[C@H]1F SY302340 [0,2,0,0,0,0|0,0,0]=2 346 B7R1.4 NC1CCCC1O SY004734 [0,2,0,0,0,0|1,0,0]=3 347 B7R1.4 NC1CCOC1=O SY111957 [0,2,0,0,0,0|1,0,1]=4 348 B7R1.4 NC1CCSC1=O SY038927 [0,2,0,0,0,0|1,0,1]=4 349 B7R1.4 NN1CCCC1=O SY105332 [0,2,0,0,0,0|0,0,1]=3 350 B7R1.4 NN1CCOC1=O SY038618 [0,2,0,0,0,0|1,0,1]=4 351 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,2,0,0,0,0|1,0,0]=3 352 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,2,0,0,0,0|1,0,0]=3 353 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,2,0,0,0,0|1,0,0]=3 354 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,2,0,0,0,0|1,0,0]=3 355 B7R1.4 N[C@@H]1CCNC1=O SY034730 [0,2,0,0,0,0|0,0,1]=3 356 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,2,0,0,0,0|1,0,1]=4 357 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,2,0,0,0,0|1,0,0]=3 358 B7R1.4 N[C@@H]1CONC1=O SY005636 [0,2,0,0,0,0|1,0,1]=4 359 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,2,0,0,0,0|1,0,0]=3 360 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,2,0,0,0,0|1,0,0]=3 361 B7R1.4 N[C@H]1CCNC1=O SY022467 [0,2,0,0,0,0|0,0,1]=3 362 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,2,0,0,0,0|1,0,1]=4 363 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,2,0,0,0,0|1,0,1]=4 364 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,2,0,0,0,0|1,0,0]=3 365 B7R1.4 O=C1CCCC1=O SY057516 [0,2,0,0,0,0|1,0,1]=4 366 B7R1.4 O=C1CCCC1F SY200677 [0,2,0,0,0,0|1,0,0]=3 367 B7R1.4 O=C1NCCC1Br SY067750 [0,2,0,0,0,0|0,0,1]=3 368 B7R1.4 O=C1NCCC1O SY017439 [0,2,0,0,0,0|0,0,1]=3 369 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,2,0,0,0,0|0,0,1]=3 370 B7R1.4 O=C1OCCC1Br SY001762 [0,2,0,0,0,0|1,0,1]=4 371 B7R1.4 O=C1OCCC1O SY052569 [0,2,0,0,0,0|1,0,1]=4 372 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,2,0,0,0,0|1,0,1]=4 373 B7R1.4 OC1CCCC1F SY273252 [0,2,0,0,0,0|1,0,0]=3 374 B7R1.4 OC1CCCC1O SY007557 [0,2,0,0,0,0|1,0,0]=3 375 B7R1.4 OC1COCC1Br SY262931 [0,2,0,0,0,0|1,0,0]=3 376 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,2,0,0,0,0|1,0,0]=3 377 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,2,0,0,0,0|1,0,0]=3 378 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,2,0,0,0,0|1,0,0]=3 379 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,2,0,0,0,0|0,0,0]=2 380 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,2,0,0,0,0|0,0,0]=2 381 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,2,0,0,0,0|0,0,0]=2 382 B7R1.14 CC1(C)C=CCC1 SY264810 [0,2,0,0,0,0|1,0,1]=4 383 B7R1.14 CC1(C)CCCN1 SY018505 [0,2,0,0,0,0|0,0,0]=2 384 B7R1.14 CC1(C)CCCN1 SY081253 [0,2,0,0,0,0|0,0,0]=2 385 B7R1.14 CC1(C)CCNC1 SY042120 [0,2,0,0,0,0|0,0,0]=2 386 B7R1.14 CC1(O)CCNC1 SY036721 [0,2,0,0,0,0|0,0,0]=2 387 B7R1.14 C[C@@]1(O)CCNC1 SY233757 [0,2,0,0,0,0|0,0,0]=2 388 B7R1.14 C[C@@]1(O)CCNC1 SY310803 [0,2,0,0,0,0|0,0,0]=2 389 B7R1.14 C[C@]1(O)CCNC1 SY233715 [0,2,0,0,0,0|0,0,0]=2 390 B7R1.14 C[C@]1(O)CCNC1 SY233747 [0,2,0,0,0,0|0,0,0]=2 391 B7R1.14 FC1(F)CCNC1 SY008515 [0,2,0,0,0,0|0,0,0]=2 392 B7R1.14 O=P1(Cl)CCCC1 SY266748 [0,2,0,0,0,0|0,1,0]=3 393 B7R1.14 O=S1(=O)CCCN1 SY022751 [0,2,0,0,0,0|1,0,0]=3 394 B7R1.14 O=S1(=O)NCCN1 SY103379 [0,2,0,0,0,0|2,0,0]=4 395 B5R1.3 ICC1CC1 SY266775 [0,0,1,1,0,0|1,0,0]=3 396 B5R1.3 NNC1CC1 SY024161 [0,0,1,1,0,0|1,0,0]=3 397 B5R1.3 OC[C@@H]1CO1 SY013955 [0,0,1,1,0,0|2,0,0]=4 398 B5R1.3 OC[C@H]1CO1 SY031944 [0,0,1,1,0,0|2,0,0]=4 399 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [0,0,1,1,0,0|1,0,0]=3 400 B5R1.4 NC1CC1F SY265040 [0,0,1,1,0,0|1,0,0]=3 401 B5R1.4 NC1CC1N SY249366 [0,0,1,1,0,0|1,0,0]=3 402 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [0,0,1,1,0,0|1,0,0]=3 403 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [0,0,1,1,0,0|1,0,0]=3 404 B5R1.4 N[C@H]1C[C@H]1F SY265042 [0,0,1,1,0,0|1,0,0]=3 405 B5R1.4 N[C@H]1C[C@H]1N SY249367 [0,0,1,1,0,0|1,0,0]=3 406 B7R2.13 C1CC2CC2C1 SY274842 [0,0,0,1,0,1|1,0,0]=3 407 B7R2.13 C1NCC2CC12 SY029030 [0,0,0,1,0,1|0,0,0]=2 408 B7R2.13 C1OCC2OC12 SY018458 [0,0,0,1,0,1|1,0,0]=3 409 B7R2.11 C1NC2CC1C2 SY098317 [0,1,0,1,0,0|0,0,0]=2 410 B7R1.24 C1CNCCOC1 SY002594 [0,0,0,0,0,2|0,0,0]=2 411 B7R1.24 C1CNCCOC1 SY023485 [0,0,0,0,0,2|0,0,0]=2