0 B5R1.1 C1=CCNC1 D40328 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=CNN=N1 T32182 [0,0,0,0,0,0|2,0,2]=4 2 B5R1.1 C1=NC=NN1 T64905 [0,0,0,0,0,0|2,0,2]=4 3 B5R1.1 C1CNNC1 P39938 [0,0,0,0,0,0|1,0,0]=1 4 B5R1.1 C1CSCN1 T38217 [0,0,0,0,0,0|1,0,0]=1 5 B5R1.1 C1CSCN1 T60563 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 Br[C@H]1CCNC1 B40246 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 Br[C@H]1CCOC1 B0393 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 CC1=NCCC1 M41239 [0,1,0,0,0,0|0,0,2]=3 9 B6R1.2 C[C@@H]1CCCN1 M23610 [0,1,0,0,0,0|0,0,0]=1 10 B6R1.2 C[C@@H]1CCNC1 M22540 [0,1,0,0,0,0|0,0,0]=1 11 B6R1.2 C[C@H]1CCCN1 M21836 [0,1,0,0,0,0|0,0,0]=1 12 B6R1.2 C[C@H]1CCCN1 M24199 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 C[C@H]1CCCN1 M24435 [0,1,0,0,0,0|0,0,0]=1 14 B6R1.2 C[C@H]1CCNC1 M22012 [0,1,0,0,0,0|0,0,0]=1 15 B6R1.2 C[C@H]1CCNC1 M69520 [0,1,0,0,0,0|0,0,0]=1 16 B6R1.2 F[C@@H]1CCNC1 F7494 [0,1,0,0,0,0|0,0,0]=1 17 B6R1.2 F[C@H]1CCNC1 F0136 [0,1,0,0,0,0|0,0,0]=1 18 B6R1.2 F[C@H]1CCNC1 F7493 [0,1,0,0,0,0|0,0,0]=1 19 B6R1.2 IC1CCCC1 I20419 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 I[C@@H]1CCOC1 I1538 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 I[C@H]1CCOC1 I0392 [0,1,0,0,0,0|1,0,0]=2 22 B6R1.2 I[C@H]1CCOC1 I1672 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 NC1=NCCC1 D38561 [0,1,0,0,0,0|0,0,2]=3 24 B6R1.2 NC1CC=CC1 A13279 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.2 N[C@@H]1CCNC1 P16877 [0,1,0,0,0,0|0,0,0]=1 26 B6R1.2 N[C@@H]1CCNC1 P16878 [0,1,0,0,0,0|0,0,0]=1 27 B6R1.2 N[C@@H]1CCOC1 A7431 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 N[C@@H]1CCOC1 X16388 [0,1,0,0,0,0|1,0,0]=2 29 B6R1.2 N[C@H]1CCNC1 P16879 [0,1,0,0,0,0|0,0,0]=1 30 B6R1.2 N[C@H]1CCNC1 P68854 [0,1,0,0,0,0|0,0,0]=1 31 B6R1.2 N[C@H]1CCOC1 A0023 [0,1,0,0,0,0|1,0,0]=2 32 B6R1.2 N[C@H]1CCOC1 A7432 [0,1,0,0,0,0|1,0,0]=2 33 B6R1.2 N[C@H]1CCOC1 T40344 [0,1,0,0,0,0|1,0,0]=2 34 B6R1.2 N[C@H]1CCOC1 X22238 [0,1,0,0,0,0|1,0,0]=2 35 B6R1.2 O=C1C=CCC1 C26583 [0,1,0,0,0,0|1,0,2]=4 36 B6R1.2 O=C1CC=CC1 C19712 [0,1,0,0,0,0|1,0,2]=4 37 B6R1.2 O=C1CC=NN1 P39834 [0,1,0,0,0,0|1,0,2]=4 38 B6R1.2 O=C1CCNC1 P0198 [0,1,0,0,0,0|0,0,1]=2 39 B6R1.2 O=C1CCNN1 P39917 [0,1,0,0,0,0|1,0,1]=3 40 B6R1.2 O=C1CCOC1 X0391 [0,1,0,0,0,0|1,0,1]=3 41 B6R1.2 O=C1CCSC1 D10906 [0,1,0,0,0,0|1,0,1]=3 42 B6R1.2 O=C1NCCN1 K62398 [0,1,0,0,0,0|1,0,1]=3 43 B6R1.2 O=C1NCCS1 T39859 [0,1,0,0,0,0|1,0,1]=3 44 B6R1.2 OC1CC=CC1 C67522 [0,1,0,0,0,0|1,0,1]=3 45 B6R1.2 O[C@@H]1CCNC1 H7458 [0,1,0,0,0,0|0,0,0]=1 46 B6R1.2 O[C@@H]1CCNC1 P4643 [0,1,0,0,0,0|0,0,0]=1 47 B6R1.2 O[C@@H]1CCOC1 H7563 [0,1,0,0,0,0|1,0,0]=2 48 B6R1.2 O[C@H]1CCNC1 H0275 [0,1,0,0,0,0|0,0,0]=1 49 B6R1.2 O[C@H]1CCNC1 H7496 [0,1,0,0,0,0|0,0,0]=1 50 B6R1.2 O[C@H]1CCNC1 P0679 [0,1,0,0,0,0|0,0,0]=1 51 B6R1.2 O[C@H]1CCOC1 H0466 [0,1,0,0,0,0|1,0,0]=2 52 B6R1.2 O[C@H]1CCOC1 H10322 [0,1,0,0,0,0|1,0,0]=2 53 B6R1.2 O[C@H]1CNOC1 K39924 [0,1,0,0,0,0|1,0,0]=2 54 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,1,0,0,0,0|1,0,0]=2 55 B4R0.2 BrCCCBr D69412 [0,0,1,0,0,0|2,0,0]=3 56 B4R0.2 C#CCCN B40327 [0,0,1,0,0,0|0,0,2]=3 57 B4R0.2 C#CCCO B26554 [0,0,1,0,0,0|1,0,2]=4 58 B4R0.2 C#CCNC M60803 [0,0,1,0,0,0|0,0,2]=3 59 B4R0.2 C#CCON P6115 [0,0,1,0,0,0|1,0,2]=4 60 B4R0.2 C=CCCN B21913 [0,0,1,0,0,0|0,0,2]=3 61 B4R0.2 C=CCCO B40252 [0,0,1,0,0,0|1,0,2]=4 62 B4R0.2 C=CCON A39923 [0,0,1,0,0,0|1,0,2]=4 63 B4R0.2 CC#CCO H64582 [0,0,1,0,0,0|1,0,2]=4 64 B4R0.2 CCCNN P39906 [0,0,1,0,0,0|1,0,0]=2 65 B4R0.2 CNCC#N M39141 [0,0,1,0,0,0|1,0,1]=3 66 B4R0.2 CNCCBr B38473 [0,0,1,0,0,0|1,0,0]=2 67 B4R0.2 CNCCCl C39886 [0,0,1,0,0,0|1,0,0]=2 68 B4R0.2 COCCBr B39138 [0,0,1,0,0,0|2,0,0]=3 69 B4R0.2 COCCI K39881 [0,0,1,0,0,0|2,0,0]=3 70 B4R0.2 CSCCN M62136 [0,0,1,0,0,0|1,0,0]=2 71 B4R0.2 ClCCCI C1367 [0,0,1,0,0,0|2,0,0]=3 72 B4R0.2 ICCCI D39865 [0,0,1,0,0,0|2,0,0]=3 73 B4R0.2 N#CCCN C64951 [0,0,1,0,0,0|1,0,1]=3 74 B4R0.2 N#CCCO H67414 [0,0,1,0,0,0|1,0,2]=4 75 B4R0.2 N#CCCS M39860 [0,0,1,0,0,0|1,0,2]=4 76 B4R0.2 NCCCCl C37835 [0,0,1,0,0,0|1,0,0]=2 77 B4R0.2 NCCCO A69322 [0,0,1,0,0,0|1,0,0]=2 78 B4R0.2 NOCCO A39786 [0,0,1,0,0,0|2,0,0]=3 79 B4R0.2 OCCCBr B39137 [0,0,1,0,0,0|2,0,0]=3 80 B4R0.2 OCCCO P69117 [0,0,1,0,0,0|2,0,0]=3 81 B4R1.1 C1CNC1 A1584 [0,0,0,0,1,0|0,0,0]=1 82 B4R1.1 C1CNC1 A31833 [0,0,0,0,1,0|0,0,0]=1 83 B6R1.1 C1=CCNCC1 T0540 [0,0,0,0,0,1|0,0,1]=2 84 B6R1.1 C1=CCOCC1 D10810 [0,0,0,0,0,1|1,0,1]=3 85 B6R1.1 C1CCNCC1 P67647 [0,0,0,0,0,1|0,0,0]=1 86 B6R1.1 C1CCNNC1 H8288 [0,0,0,0,0,1|0,0,0]=1 87 B6R1.1 C1CCONC1 X13780 [0,0,0,0,0,1|0,0,0]=1 88 B6R1.1 C1CCONC1 X40342 [0,0,0,0,0,1|0,0,0]=1 89 B6R1.1 C1CNCOC1 X40263 [0,0,0,0,0,1|0,0,0]=1 90 B6R1.1 C1CSCCN1 T17901 [0,0,0,0,0,1|0,0,0]=1 91 B3R0.1 C#CCN P39910 [1,0,1,0,0,0|0,0,2]=4 92 B3R0.1 CCCN P62456 [1,0,1,0,0,0|0,0,0]=2 93 B3R0.1 CCNC M39932 [1,0,1,0,0,0|0,0,0]=2 94 B3R0.1 CCON E60797 [1,0,1,0,0,0|1,0,0]=3 95 B3R0.1 FCCI F39767 [1,0,1,0,0,0|2,0,0]=4 96 B3R0.1 N#CCN A68631 [1,0,1,0,0,0|1,0,1]=4 97 B3R0.1 NCCBr B68074 [1,0,1,0,0,0|1,0,0]=3 98 B3R0.1 NCCCl C68611 [1,0,1,0,0,0|1,0,0]=3 99 B3R0.1 NCCF F39796 [1,0,1,0,0,0|1,0,0]=3 100 B5R0.1 C=C(C)CON M40345 [0,1,1,0,0,0|1,0,1]=4 101 B5R0.1 C=C(C)OCC E5573 [0,1,1,0,0,0|1,0,1]=4 102 B5R0.1 C=CC[C@H](C)O P62507 [0,1,1,0,0,0|1,0,1]=4 103 B5R0.1 CC#C[C@H](C)O B1790 [0,1,1,0,0,0|1,0,1]=4 104 B5R0.1 CC(=O)CCCl C69539 [0,1,1,0,0,0|1,0,1]=4 105 B5R0.1 CC(C)CNN B40316 [0,1,1,0,0,0|1,0,0]=3 106 B5R0.1 CCCB(O)O P5056 [0,1,1,0,0,0|2,0,0]=4 107 B5R0.1 CCC[C@@H](C)N P16023 [0,1,1,0,0,0|0,0,0]=2 108 B5R0.1 CCC[C@H](C)N P22363 [0,1,1,0,0,0|0,0,0]=2 109 B5R0.1 CCOC(=N)N E36845 [0,1,1,0,0,0|1,0,1]=4 110 B5R0.1 CCOC(C)=N E68065 [0,1,1,0,0,0|1,0,1]=4 111 B5R0.1 CN(C)CC=O D39943 [0,1,1,0,0,0|1,0,1]=4 112 B5R0.1 CN(C)CCBr B39953 [0,1,1,0,0,0|1,0,0]=3 113 B5R0.1 CNCC(=O)O M68590 [0,1,1,0,0,0|1,0,1]=4 114 B5R0.1 CNCC(N)=O M68358 [0,1,1,0,0,0|1,0,1]=4 115 B5R0.1 COCC(=N)N M39928 [0,1,1,0,0,0|1,0,1]=4 116 B5R0.1 COC[C@@H](C)N M40311 [0,1,1,0,0,0|1,0,0]=3 117 B5R0.1 COC[C@@H](C)O M39959 [0,1,1,0,0,0|1,0,0]=3 118 B5R0.1 COC[C@H](C)O M61064 [0,1,1,0,0,0|1,0,0]=3 119 B5R0.1 C[C@@H](N)CCO A10772 [0,1,1,0,0,0|1,0,0]=3 120 B5R0.1 C[C@H](N)CCO A10771 [0,1,1,0,0,0|1,0,0]=3 121 B5R0.1 C[C@H](N)CCO A39964 [0,1,1,0,0,0|1,0,0]=3 122 B5R0.1 C[C@H](O)CCO B68917 [0,1,1,0,0,0|1,0,0]=3 123 B5R0.1 NCCC(N)=O A67869 [0,1,1,0,0,0|1,0,1]=4 124 B5R0.1 NCC[P@H](=O)O A39788 [0,1,1,0,0,0|2,0,0]=4 125 B5R0.1 OCCC(F)F D60407 [0,1,1,0,0,0|2,0,0]=4 126 B5R0.2 BrCCCCBr D69410 [0,1,1,0,0,0|1,0,0]=3 127 B5R0.2 C#CCCCCl C68183 [0,1,1,0,0,0|1,0,1]=4 128 B5R0.2 C#CCCCI I8474 [0,1,1,0,0,0|1,0,1]=4 129 B5R0.2 C#CCCCN P41368 [0,1,1,0,0,0|0,0,1]=3 130 B5R0.2 C#CCCCO P68382 [0,1,1,0,0,0|1,0,1]=4 131 B5R0.2 C=CCCCBr B41237 [0,1,1,0,0,0|1,0,1]=4 132 B5R0.2 C=CCCCCl C41238 [0,1,1,0,0,0|1,0,1]=4 133 B5R0.2 C=CCCCO P36921 [0,1,1,0,0,0|1,0,1]=4 134 B5R0.2 CCCCON B40310 [0,1,1,0,0,0|0,0,0]=2 135 B5R0.2 CNCCCCl C39954 [0,1,1,0,0,0|0,0,0]=2 136 B5R0.2 CNCCCO M36844 [0,1,1,0,0,0|0,0,0]=2 137 B5R0.2 CNCCOC M23409 [0,1,1,0,0,0|0,0,0]=2 138 B5R0.2 COCCC#N M39153 [0,1,1,0,0,0|0,0,2]=4 139 B5R0.2 COCCCBr B68335 [0,1,1,0,0,0|1,0,0]=3 140 B5R0.2 COCCCO M69411 [0,1,1,0,0,0|1,0,0]=3 141 B5R0.2 ClCCCCI C40239 [0,1,1,0,0,0|1,0,0]=3 142 B5R0.2 ICCCCI D37834 [0,1,1,0,0,0|1,0,0]=3 143 B5R0.2 N#CCCCBr B67593 [0,1,1,0,0,0|0,0,2]=4 144 B5R0.2 N#CCCCCl C64907 [0,1,1,0,0,0|0,0,2]=4 145 B5R0.2 NCCCCBr B39952 [0,1,1,0,0,0|0,0,0]=2 146 B5R0.2 NCCCCN D39162 [0,1,1,0,0,0|0,0,0]=2 147 B5R0.2 NC\C=C/CCl C65470 [0,1,1,0,0,0|0,0,2]=4 148 B5R0.2 NC\C=C/CN B69714 [0,1,1,0,0,0|0,0,2]=4 149 B5R0.2 NOCCON E62368 [0,1,1,0,0,0|2,0,0]=4 150 B5R0.2 OCCCCBr B67330 [0,1,1,0,0,0|1,0,0]=3 151 B5R0.3 CC(CBr)CBr D40238 [0,1,1,0,0,0|2,0,0]=4 152 B5R0.3 CC(CO)CO M60880 [0,1,1,0,0,0|2,0,0]=4 153 B5R0.3 CCC(=N)NO H39883 [0,1,1,0,0,0|1,0,1]=4 154 B5R0.3 CCC(=O)CN A32390 [0,1,1,0,0,0|0,0,1]=3 155 B5R0.3 CCC(=O)CO H36713 [0,1,1,0,0,0|1,0,1]=4 156 B5R0.3 CCC(N)CC P40440 [0,1,1,0,0,0|1,0,0]=3 157 B5R0.3 CC[C@@H](N)CO A39144 [0,1,1,0,0,0|1,0,0]=3 158 B5R0.3 CC[C@@H](O)CO B39955 [0,1,1,0,0,0|1,0,0]=3 159 B5R0.3 CC[C@H](N)CO A39145 [0,1,1,0,0,0|1,0,0]=3 160 B5R0.3 CC[C@H](O)CO B39956 [0,1,1,0,0,0|1,0,0]=3 161 B5R0.3 CNC(=O)CBr B60913 [0,1,1,0,0,0|1,0,1]=4 162 B5R0.3 CNC(=O)CCl C67921 [0,1,1,0,0,0|1,0,1]=4 163 B5R0.3 COC(=O)CN M69126 [0,1,1,0,0,0|1,0,1]=4 164 B5R0.3 CO[C@@H](C)CN M40313 [0,1,1,0,0,0|1,0,0]=3 165 B5R0.3 CO[C@@H](C)CO M68380 [0,1,1,0,0,0|2,0,0]=4 166 B5R0.3 CO[C@H](C)CN M40312 [0,1,1,0,0,0|1,0,0]=3 167 B5R0.3 CO[C@H](C)CO M68381 [0,1,1,0,0,0|2,0,0]=4 168 B5R0.3 NCC(O)CN D38498 [0,1,1,0,0,0|1,0,0]=3 169 B5R0.3 NC[C@@H](O)CCl A39888 [0,1,1,0,0,0|1,0,0]=3 170 B5R0.3 NC[C@@H](O)CO A67523 [0,1,1,0,0,0|1,0,0]=3 171 B5R0.3 NC[C@H](Br)CBr D9273 [0,1,1,0,0,0|1,0,0]=3 172 B5R0.3 NC[C@H](O)CCl A36622 [0,1,1,0,0,0|1,0,0]=3 173 B5R0.3 NC[C@H](O)CCl A39887 [0,1,1,0,0,0|1,0,0]=3 174 B5R0.3 NC[C@H](O)CF A28629 [0,1,1,0,0,0|1,0,0]=3 175 B5R0.3 NC[C@H](O)CO A38562 [0,1,1,0,0,0|1,0,0]=3 176 B5R0.3 NC[C@H](O)CO A67451 [0,1,1,0,0,0|1,0,0]=3 177 B5R0.3 OC[C@@H](O)CCl C69122 [0,1,1,0,0,0|2,0,0]=4 178 B5R0.3 OC[C@@H](O)CF F60905 [0,1,1,0,0,0|2,0,0]=4 179 B5R0.3 OC[C@H](O)CCl C68371 [0,1,1,0,0,0|2,0,0]=4 180 B5R0.3 OC[C@H](O)CF F60904 [0,1,1,0,0,0|2,0,0]=4 181 B5R1.2 BrC1CCC1 B23687 [0,1,0,0,1,0|0,0,0]=2 182 B5R1.2 BrC1CNC1 B13326 [0,1,0,0,1,0|0,0,0]=2 183 B5R1.2 BrC1COC1 B5688 [0,1,0,0,1,0|1,0,0]=3 184 B5R1.2 CC1CNC1 M1321 [0,1,0,0,1,0|0,0,0]=2 185 B5R1.2 C[C@H]1CCN1 M29512 [0,1,0,0,1,0|0,0,0]=2 186 B5R1.2 ClC1CNC1 C1323 [0,1,0,0,1,0|0,0,0]=2 187 B5R1.2 ClC1COC1 C8470 [0,1,0,0,1,0|1,0,0]=3 188 B5R1.2 FC1CNC1 F5255 [0,1,0,0,1,0|0,0,0]=2 189 B5R1.2 IC1CCC1 I23424 [0,1,0,0,1,0|0,0,0]=2 190 B5R1.2 IC1CNC1 I13327 [0,1,0,0,1,0|0,0,0]=2 191 B5R1.2 IC1COC1 I5689 [0,1,0,0,1,0|1,0,0]=3 192 B5R1.2 NC1CCC1 C60561 [0,1,0,0,1,0|0,0,0]=2 193 B5R1.2 NC1CNC1 A5482 [0,1,0,0,1,0|0,0,0]=2 194 B5R1.2 NC1COC1 O5613 [0,1,0,0,1,0|1,0,0]=3 195 B5R1.2 NC1CSC1 T6025 [0,1,0,0,1,0|1,0,0]=3 196 B5R1.2 O=C1CCC1 C8674 [0,1,0,0,1,0|0,0,1]=3 197 B5R1.2 O=C1CNC1 A1318 [0,1,0,0,1,0|0,0,1]=3 198 B5R1.2 O=C1COC1 O4015 [0,1,0,0,1,0|1,0,1]=4 199 B5R1.2 O=C1CSC1 T6026 [0,1,0,0,1,0|1,0,1]=4 200 B5R1.2 OC1CNC1 H2864 [0,1,0,0,1,0|0,0,0]=2 201 B5R1.2 OC1COC1 O5686 [0,1,0,0,1,0|1,0,0]=3 202 B5R1.2 SC1CNC1 A11453 [0,1,0,0,1,0|0,0,0]=2 203 B5R1.2 SC1COC1 O8471 [0,1,0,0,1,0|1,0,0]=3 204 B5R1.2 [Mg+]C1CCC1 P5028 [0,1,0,0,1,0|0,0,0]=2 205 B7R1.3 BrC1CCCCC1 B69054 [0,1,0,0,0,1|1,0,0]=3 206 B7R1.3 BrC1CCNCC1 B40375 [0,1,0,0,0,1|0,0,0]=2 207 B7R1.3 BrC1CCOCC1 B1507 [0,1,0,0,0,1|1,0,0]=3 208 B7R1.3 BrC1CCSCC1 B31817 [0,1,0,0,0,1|1,0,0]=3 209 B7R1.3 C=C1CCNCC1 M19855 [0,1,0,0,0,1|0,0,0]=2 210 B7R1.3 C=C1CCOCC1 M23324 [0,1,0,0,0,1|1,0,0]=3 211 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,0,0,1|0,0,1]=3 212 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,0,0,1|0,0,1]=3 213 B7R1.3 CC1SCCCS1 M63108 [0,1,0,0,0,1|1,0,0]=3 214 B7R1.3 CN1CCNCC1 M13367 [0,1,0,0,0,1|0,0,0]=2 215 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,1,0,0,0,1|0,0,0]=2 216 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,1,0,0,0,1|0,0,0]=2 217 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,1,0,0,0,1|0,0,0]=2 218 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,1,0,0,0,1|0,0,0]=2 219 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,0,0,1|0,0,0]=2 220 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,0,0,1|0,0,0]=2 221 B7R1.3 C[C@H]1CCCCN1 M43475 [0,1,0,0,0,1|0,0,0]=2 222 B7R1.3 C[C@H]1CNCCN1 M10717 [0,1,0,0,0,1|0,0,0]=2 223 B7R1.3 C[C@H]1CNCCO1 M15401 [0,1,0,0,0,1|0,0,0]=2 224 B7R1.3 C[C@H]1CNCCO1 M15402 [0,1,0,0,0,1|0,0,0]=2 225 B7R1.3 C[C@H]1CNCCO1 M29509 [0,1,0,0,0,1|0,0,0]=2 226 B7R1.3 C[C@H]1CNCCO1 M41323 [0,1,0,0,0,1|0,0,0]=2 227 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,0,0,1|0,0,0]=2 228 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,0,0,1|0,0,0]=2 229 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,0,0,1|0,0,0]=2 230 B7R1.3 ClC1CCNCC1 C40376 [0,1,0,0,0,1|0,0,0]=2 231 B7R1.3 ClC1CCOCC1 C4527 [0,1,0,0,0,1|1,0,0]=3 232 B7R1.3 FC1CCNCC1 F6080 [0,1,0,0,0,1|0,0,0]=2 233 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,1,0,0,0,1|0,0,0]=2 234 B7R1.3 F[C@H]1CCCNC1 F1651 [0,1,0,0,0,1|0,0,0]=2 235 B7R1.3 F[C@H]1CCCNC1 F7461 [0,1,0,0,0,1|0,0,0]=2 236 B7R1.3 IC1CCOCC1 I1189 [0,1,0,0,0,1|1,0,0]=3 237 B7R1.3 IC1CCSCC1 I31818 [0,1,0,0,0,1|1,0,0]=3 238 B7R1.3 NC1=NCCCN1 A40341 [0,1,0,0,0,1|0,0,1]=3 239 B7R1.3 NC1CCCCC1 C39283 [0,1,0,0,0,1|1,0,0]=3 240 B7R1.3 NC1CCNCC1 P67610 [0,1,0,0,0,1|0,0,0]=2 241 B7R1.3 NC1CCOCC1 A1504 [0,1,0,0,0,1|1,0,0]=3 242 B7R1.3 NC1CCOCC1 T1169 [0,1,0,0,0,1|1,0,0]=3 243 B7R1.3 NC1CCSCC1 T22381 [0,1,0,0,0,1|1,0,0]=3 244 B7R1.3 NC1CCSCC1 T5312 [0,1,0,0,0,1|1,0,0]=3 245 B7R1.3 NN1CCOCC1 A39946 [0,1,0,0,0,1|0,0,0]=2 246 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,1,0,0,0,1|0,0,0]=2 247 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,1,0,0,0,1|0,0,0]=2 248 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,1,0,0,0,1|1,0,0]=3 249 B7R1.3 N[C@H]1CCCNC1 P41385 [0,1,0,0,0,1|0,0,0]=2 250 B7R1.3 N[C@H]1CCCNC1 P67457 [0,1,0,0,0,1|0,0,0]=2 251 B7R1.3 N[C@H]1CCCOC1 T1132 [0,1,0,0,0,1|1,0,0]=3 252 B7R1.3 N[C@H]1CCCOC1 X17960 [0,1,0,0,0,1|1,0,0]=3 253 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,0,0,1|0,0,2]=4 254 B7R1.3 O=C1CCCCN1 P69632 [0,1,0,0,0,1|0,0,0]=2 255 B7R1.3 O=C1CCCNC1 P1523 [0,1,0,0,0,1|0,0,0]=2 256 B7R1.3 O=C1CCCNC1 P31811 [0,1,0,0,0,1|0,0,0]=2 257 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,0,0,1|1,0,0]=3 258 B7R1.3 O=C1CCCSC1 T1776 [0,1,0,0,0,1|1,0,0]=3 259 B7R1.3 O=C1CCNCC1 P23503 [0,1,0,0,0,1|0,0,0]=2 260 B7R1.3 O=C1CCOCC1 T4632 [0,1,0,0,0,1|1,0,0]=3 261 B7R1.3 O=C1CCSCC1 T6200 [0,1,0,0,0,1|1,0,0]=3 262 B7R1.3 O=C1CNCCN1 P10419 [0,1,0,0,0,1|0,0,1]=3 263 B7R1.3 O=C1COCCN1 M7700 [0,1,0,0,0,1|0,0,1]=3 264 B7R1.3 O=C1COCCO1 D38663 [0,1,0,0,0,1|1,0,1]=4 265 B7R1.3 O=C1CSCCN1 T40230 [0,1,0,0,0,1|0,0,1]=3 266 B7R1.3 O=S1CCNCC1 T5787 [0,1,0,0,0,1|0,0,0]=2 267 B7R1.3 OC1CCNCC1 P24137 [0,1,0,0,0,1|0,0,0]=2 268 B7R1.3 OC1CCNCC1 P41321 [0,1,0,0,0,1|0,0,0]=2 269 B7R1.3 OC1CCOCC1 H0389 [0,1,0,0,0,1|1,0,0]=3 270 B7R1.3 OC1CCSCC1 H31816 [0,1,0,0,0,1|1,0,0]=3 271 B7R1.3 OC1COCOC1 D38760 [0,1,0,0,0,1|1,0,0]=3 272 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,1,0,0,0,1|0,0,0]=2 273 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,1,0,0,0,1|0,0,0]=2 274 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,1,0,0,0,1|1,0,0]=3 275 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,1,0,0,0,1|0,0,0]=2 276 B7R1.3 O[C@H]1CCCNC1 H0276 [0,1,0,0,0,1|0,0,0]=2 277 B7R1.3 O[C@H]1CCCNC1 H10264 [0,1,0,0,0,1|0,0,0]=2 278 B7R1.3 O[C@H]1CCCNC1 H10265 [0,1,0,0,0,1|0,0,0]=2 279 B7R1.3 O[C@H]1CCCNC1 H4736 [0,1,0,0,0,1|0,0,0]=2 280 B7R1.3 O[C@H]1CCCOC1 H11398 [0,1,0,0,0,1|1,0,0]=3 281 B7R1.3 O[C@H]1CCCOC1 T25087 [0,1,0,0,0,1|1,0,0]=3 282 B7R1.3 SC1CCNCC1 P11895 [0,1,0,0,0,1|0,0,0]=2 283 B7R1.3 S[C@H]1CCCNC1 P15399 [0,1,0,0,0,1|0,0,0]=2 284 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,1,0,0,0,1|1,0,0]=3 285 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,1,0,0,0,1|1,0,0]=3 286 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,1,0,0,0,1|1,0,0]=3 287 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,1,0,0,0,1|1,0,0]=3 288 B7R1.1 BrCC1=CCCC1 B7551 [0,2,0,0,0,0|1,0,1]=4 289 B7R1.1 BrCC1CCCC1 B23399 [0,2,0,0,0,0|1,0,0]=3 290 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,2,0,0,0,0|1,0,0]=3 291 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,2,0,0,0,0|1,0,0]=3 292 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,2,0,0,0,0|1,0,0]=3 293 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,2,0,0,0,0|0,0,0]=2 294 B7R1.1 CC[C@H]1CCNC1 E22542 [0,2,0,0,0,0|0,0,0]=2 295 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,2,0,0,0,0|1,0,0]=3 296 B7R1.1 CN[C@H]1CCOC1 M1156 [0,2,0,0,0,0|1,0,0]=3 297 B7R1.1 COC1=NCCC1 M69559 [0,2,0,0,0,0|0,0,2]=4 298 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,2,0,0,0,0|0,0,0]=2 299 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,2,0,0,0,0|0,0,0]=2 300 B7R1.1 CO[C@H]1CCNC1 M1159 [0,2,0,0,0,0|0,0,0]=2 301 B7R1.1 CO[C@H]1CCNC1 M7459 [0,2,0,0,0,0|0,0,0]=2 302 B7R1.1 ClCC1=NCCN1 C69471 [0,2,0,0,0,0|1,0,1]=4 303 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,2,0,0,0,0|0,0,0]=2 304 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,2,0,0,0,0|0,0,0]=2 305 B7R1.1 FC[C@H]1CCCN1 F12954 [0,2,0,0,0,0|0,0,0]=2 306 B7R1.1 IC[C@H]1CCOC1 I12451 [0,2,0,0,0,0|1,0,0]=3 307 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,2,0,0,0,0|0,0,0]=2 308 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,2,0,0,0,0|0,0,0]=2 309 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,2,0,0,0,0|0,0,0]=2 310 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,2,0,0,0,0|0,0,0]=2 311 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,2,0,0,0,0|0,0,0]=2 312 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,2,0,0,0,0|0,0,0]=2 314 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,2,0,0,0,0|0,0,0]=2 315 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,2,0,0,0,0|0,0,0]=2 316 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,2,0,0,0,0|0,0,0]=2 317 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,2,0,0,0,0|0,0,0]=2 318 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,2,0,0,0,0|1,0,0]=3 319 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,2,0,0,0,0|1,0,0]=3 320 B7R1.1 NCC1CCCC1 C5395 [0,2,0,0,0,0|1,0,0]=3 321 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,2,0,0,0,0|0,0,0]=2 322 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,2,0,0,0,0|1,0,0]=3 323 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,2,0,0,0,0|1,0,0]=3 324 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,2,0,0,0,0|1,0,0]=3 325 B7R1.1 NC[C@H]1CCCN1 A60830 [0,2,0,0,0,0|0,0,0]=2 326 B7R1.1 NC[C@H]1CCOC1 T10324 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.1 NC[C@H]1CCOC1 T1153 [0,2,0,0,0,0|1,0,0]=3 328 B7R1.1 NC[C@H]1CCOC1 T1674 [0,2,0,0,0,0|1,0,0]=3 329 B7R1.1 NC[C@H]1CCOC1 T7262 [0,2,0,0,0,0|1,0,0]=3 330 B7R1.1 NNC1CCCC1 C22580 [0,2,0,0,0,0|1,0,0]=3 331 B7R1.1 O=CC1=CCCC1 C69466 [0,2,0,0,0,0|1,0,1]=4 332 B7R1.1 O=CC1CCCC1 C25963 [0,2,0,0,0,0|1,0,0]=3 333 B7R1.1 OCC1CC=CC1 C11867 [0,2,0,0,0,0|1,0,1]=4 334 B7R1.1 OCC1CCCC1 C23297 [0,2,0,0,0,0|1,0,0]=3 335 B7R1.1 OCC1OCCO1 D40256 [0,2,0,0,0,0|2,0,0]=4 336 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,2,0,0,0,0|0,0,0]=2 337 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,2,0,0,0,0|0,0,0]=2 338 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,2,0,0,0,0|1,0,0]=3 339 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,2,0,0,0,0|0,0,0]=2 340 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,2,0,0,0,0|0,0,0]=2 341 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,2,0,0,0,0|1,0,0]=3 342 B7R1.1 OC[C@H]1CCCN1 P14128 [0,2,0,0,0,0|0,0,0]=2 343 B7R1.1 OC[C@H]1CCCN1 P67898 [0,2,0,0,0,0|0,0,0]=2 344 B7R1.1 OC[C@H]1CCCO1 T67581 [0,2,0,0,0,0|1,0,0]=3 345 B7R1.1 OC[C@H]1CCCO1 T68627 [0,2,0,0,0,0|1,0,0]=3 346 B7R1.1 OC[C@H]1CCNC1 H1594 [0,2,0,0,0,0|0,0,0]=2 347 B7R1.1 OC[C@H]1CCNC1 H7915 [0,2,0,0,0,0|0,0,0]=2 348 B7R1.1 OC[C@H]1CCNC1 P1155 [0,2,0,0,0,0|0,0,0]=2 349 B7R1.1 OC[C@H]1CCNC1 P41328 [0,2,0,0,0,0|0,0,0]=2 350 B7R1.1 OC[C@H]1CCNC1 P6954 [0,2,0,0,0,0|0,0,0]=2 351 B7R1.1 OC[C@H]1CCOC1 T0396 [0,2,0,0,0,0|1,0,0]=3 352 B7R1.1 OC[C@H]1CCOC1 T0398 [0,2,0,0,0,0|1,0,0]=3 353 B7R1.2 CN1CCC(=O)C1 M5444 [0,2,0,0,0,0|0,0,1]=3 354 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,2,0,0,0,0|0,0,0]=2 355 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,2,0,0,0,0|0,0,0]=2 356 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,2,0,0,0,0|0,0,0]=2 357 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,2,0,0,0,0|0,0,0]=2 358 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,2,0,0,0,0|0,0,0]=2 359 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,2,0,0,0,0|0,0,0]=2 360 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,2,0,0,0,0|0,0,0]=2 361 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,2,0,0,0,0|0,0,1]=3 362 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,2,0,0,0,0|1,0,1]=4 363 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,2,0,0,0,0|0,0,0]=2 364 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,2,0,0,0,0|0,0,1]=3 365 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,2,0,0,0,0|1,0,1]=4 366 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,2,0,0,0,0|0,0,0]=2 367 B7R1.2 NC1CCC(O)C1 A1764 [0,2,0,0,0,0|1,0,0]=3 368 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,2,0,0,0,0|1,0,0]=3 369 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,2,0,0,0,0|1,0,0]=3 370 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,2,0,0,0,0|1,0,0]=3 371 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,2,0,0,0,0|0,0,1]=3 372 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,2,0,0,0,0|0,0,1]=3 373 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,2,0,0,0,0|0,0,1]=3 374 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,2,0,0,0,0|0,0,1]=3 375 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,2,0,0,0,0|1,0,1]=4 376 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,2,0,0,0,0|1,0,0]=3 377 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,2,0,0,0,0|1,0,0]=3 378 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,2,0,0,0,0|1,0,0]=3 379 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,2,0,0,0,0|1,0,0]=3 380 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,2,0,0,0,0|1,0,0]=3 381 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,2,0,0,0,0|1,0,0]=3 382 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,2,0,0,0,0|0,0,1]=3 383 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,2,0,0,0,0|1,0,1]=4 384 B7R1.2 O=C1CCC(=O)C1 C13761 [0,2,0,0,0,0|1,0,1]=4 385 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,2,0,0,0,0|1,0,0]=3 386 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,2,0,0,0,0|0,0,1]=3 387 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,2,0,0,0,0|0,0,1]=3 388 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,2,0,0,0,0|0,0,1]=3 389 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,2,0,0,0,0|0,0,1]=3 390 B7R1.2 OC1CCC(O)C1 C24450 [0,2,0,0,0,0|1,0,0]=3 391 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,2,0,0,0,0|1,0,0]=3 392 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,2,0,0,0,0|1,0,0]=3 393 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,2,0,0,0,0|1,0,1]=4 394 B7R1.4 CN1CCCC1=S M6872 [0,2,0,0,0,0|0,0,1]=3 395 B7R1.4 CN1CCN=C1N M40301 [0,2,0,0,0,0|1,0,1]=4 396 B7R1.4 CN1CCNC1=O M40241 [0,2,0,0,0,0|1,0,1]=4 397 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,2,0,0,0,0|0,0,0]=2 398 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,2,0,0,0,0|1,0,0]=3 399 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,2,0,0,0,0|1,0,1]=4 400 B7R1.4 C[C@H]1CCCC1=O M41458 [0,2,0,0,0,0|1,0,0]=3 401 B7R1.4 C[C@H]1CCNC1=O M41257 [0,2,0,0,0,0|0,0,1]=3 402 B7R1.4 C[C@H]1CCOC1=O M41224 [0,2,0,0,0,0|1,0,1]=4 403 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,2,0,0,0,0|0,0,0]=2 404 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,2,0,0,0,0|0,0,0]=2 405 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,2,0,0,0,0|0,0,0]=2 406 B7R1.4 NC1CCCC1O A40401 [0,2,0,0,0,0|1,0,0]=3 407 B7R1.4 NC1COCC1O A32163 [0,2,0,0,0,0|1,0,0]=3 408 B7R1.4 NN1CCCC1=O A22230 [0,2,0,0,0,0|0,0,1]=3 409 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,2,0,0,0,0|1,0,0]=3 410 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,2,0,0,0,0|1,0,0]=3 411 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,2,0,0,0,0|1,0,0]=3 412 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,2,0,0,0,0|1,0,0]=3 413 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,2,0,0,0,0|1,0,0]=3 414 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,2,0,0,0,0|1,0,0]=3 415 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,2,0,0,0,0|0,0,1]=3 416 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,2,0,0,0,0|0,0,1]=3 417 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,2,0,0,0,0|1,0,1]=4 418 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,2,0,0,0,0|0,0,0]=2 419 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,2,0,0,0,0|1,0,0]=3 420 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,2,0,0,0,0|1,0,0]=3 421 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,2,0,0,0,0|1,0,0]=3 422 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,2,0,0,0,0|1,0,0]=3 423 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,2,0,0,0,0|1,0,0]=3 424 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,2,0,0,0,0|1,0,0]=3 425 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,2,0,0,0,0|1,0,0]=3 426 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,2,0,0,0,0|1,0,0]=3 427 B7R1.4 N[C@H]1CCNC1=O A24294 [0,2,0,0,0,0|0,0,1]=3 428 B7R1.4 N[C@H]1CCOC1=O A40300 [0,2,0,0,0,0|1,0,1]=4 429 B7R1.4 N[C@H]1CCOC1=O A40335 [0,2,0,0,0,0|1,0,1]=4 430 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,2,0,0,0,0|1,0,0]=3 431 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,2,0,0,0,0|1,0,0]=3 432 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,2,0,0,0,0|1,0,0]=3 433 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,2,0,0,0,0|0,0,1]=3 434 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,2,0,0,0,0|0,0,1]=3 435 B7R1.4 O=C1NCC[C@H]1O H40227 [0,2,0,0,0,0|0,0,1]=3 436 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,2,0,0,0,0|1,0,1]=4 437 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,2,0,0,0,0|1,0,0]=3 438 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,2,0,0,0,0|0,0,0]=2 439 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,2,0,0,0,0|0,0,0]=2 440 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,2,0,0,0,0|0,0,0]=2 441 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,2,0,0,0,0|0,0,0]=2 442 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,2,0,0,0,0|0,0,0]=2 443 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,2,0,0,0,0|0,0,0]=2 444 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,2,0,0,0,0|0,0,0]=2 445 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,2,0,0,0,0|0,0,0]=2 446 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,2,0,0,0,0|1,0,0]=3 447 B7R1.14 CC1(C)CCCN1 D24602 [0,2,0,0,0,0|0,0,0]=2 448 B7R1.14 CC1(C)CCNC1 D1149 [0,2,0,0,0,0|0,0,0]=2 449 B7R1.14 CC1(O)CCCC1 M41551 [0,2,0,0,0,0|1,0,0]=3 450 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,2,0,0,0,0|0,0,0]=2 451 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,2,0,0,0,0|0,0,0]=2 452 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,2,0,0,0,0|1,0,0]=3 453 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,2,0,0,0,0|0,0,0]=2 454 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,2,0,0,0,0|0,0,0]=2 455 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,2,0,0,0,0|0,0,0]=2 456 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,2,0,0,0,0|0,0,0]=2 457 B7R1.14 FC1(F)CCNC1 D5712 [0,2,0,0,0,0|0,0,0]=2 458 B7R1.14 O=S1(=O)CCCN1 P12719 [0,2,0,0,0,0|1,0,0]=3 459 B7R1.14 O=S1(=O)CCCO1 X68360 [0,2,0,0,0,0|2,0,0]=4 460 B7R1.14 O=S1(=O)NCCO1 D11396 [0,2,0,0,0,0|2,0,0]=4 461 B5R1.3 BrCC1CC1 C2498 [0,0,1,1,0,0|1,0,0]=3 462 B5R1.3 CNC1CC1 M1319 [0,0,1,1,0,0|0,0,0]=2 463 B5R1.3 CNC1CC1 M14718 [0,0,1,1,0,0|0,0,0]=2 464 B5R1.3 ClC[C@@H]1CO1 E10841 [0,0,1,1,0,0|2,0,0]=4 465 B5R1.3 ClC[C@H]1CO1 E10840 [0,0,1,1,0,0|2,0,0]=4 466 B5R1.3 NNC1CC1 C19179 [0,0,1,1,0,0|1,0,0]=3 467 B5R1.3 NNC1CC1 C32080 [0,0,1,1,0,0|1,0,0]=3 468 B5R1.3 O=CC1CC1 C20058 [0,0,1,1,0,0|1,0,1]=4 469 B5R1.3 OC[C@@H]1CO1 X39872 [0,0,1,1,0,0|2,0,0]=4 470 B5R1.3 OC[C@H]1CO1 X60516 [0,0,1,1,0,0|2,0,0]=4 471 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,0,1,1,0,0|0,0,0]=2 472 B5R1.4 N[C@@H]1C[C@H]1F F32136 [0,0,1,1,0,0|1,0,0]=3 473 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,1,0,1|0,0,0]=2 474 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,1,0,1|0,0,0]=2 475 B7R2.13 C1NCC2CC12 A13737 [0,0,0,1,0,1|0,0,0]=2 476 B7R2.13 C1NCC2CC12 A1579 [0,0,0,1,0,1|0,0,0]=2 477 B7R2.13 C1OCC2OC12 E12004 [0,0,0,1,0,1|1,0,0]=3 478 B7R2.11 C1CN2CN1C2 D40240 [0,1,0,1,0,0|1,0,0]=3 479 B7R2.11 C1NC2CC1C2 A10797 [0,1,0,1,0,0|0,0,0]=2 480 B7R2.11 C1NC2CC1C2 A6593 [0,1,0,1,0,0|0,0,0]=2 481 B7R1.24 C1=CCCNCC1 T67173 [0,0,0,0,0,2|0,0,0]=2 482 B7R1.24 C1CCCNCC1 H64495 [0,0,0,0,0,2|0,0,0]=2 483 B7R1.24 C1CNCCNC1 H67920 [0,0,0,0,0,2|0,0,0]=2 484 B7R1.24 C1CNCCOC1 X1345 [0,0,0,0,0,2|0,0,0]=2 485 B7R1.24 C1CNCCSC1 H6236 [0,0,0,0,0,2|0,0,0]=2