0 B5R0.1 C=C(C)CON M40345 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)OCC E5573 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=CC[C@H](C)O P62507 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC#C[C@H](C)O B1790 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(=O)CC#N X40158 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(=O)CCCl C69539 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(C)CNN B40316 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(C)\C=N\O I2624 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CCCB(O)O P5056 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CCC[C@@H](C)N P16023 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CCC[C@H](C)N P22363 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CCOC(C)=N E68065 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CN(C)CC=O D39943 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 CN(C)CCBr B39953 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CN(C)NC=O D66358 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 COC[C@@H](C)N M40311 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 COC[C@@H](C)O M39959 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 COC[C@H](C)O M61064 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C[C@@H](N)CCO A10772 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 C[C@H](N)CCO A10771 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 C[C@H](N)CCO A39964 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 C[C@H](O)CCO B68917 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 NCCC(N)=O A67869 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 NCC[P@H](=O)O A39788 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 O=[N+]([O-])CCO N39779 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 OCCC(F)F D60407 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 C#C[C@@H](C)O B62970 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C#C[C@H](C)N B32316 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C#C[C@H](C)O B40212 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C=C(Br)CO B39863 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C=C(I)CO I9998 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 CC(C)NN P67395 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)NO P39934 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CC(C)ON P39935 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(N)=NO H37897 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CCB(O)O E3108 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 CCC(=N)N P39882 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CCC(=N)N P39927 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CCC(N)=O P68920 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC[C@H](C)N B62608 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CC[S@](=O)[O-] S39781 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CNN(C)C T66359 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 C[C@@H](Cl)CO C39879 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 C[C@@H](N)CN D39937 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C[C@@H](N)CO A13415 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 C[C@@H](O)CCl C67728 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@@H](O)CN A67482 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 C[C@H](Br)CN B39885 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 C[C@H](Cl)CO C39880 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 C[C@H](N)CF F62811 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 C[C@H](N)CN P39936 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 C[C@H](N)CO A13416 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 C[C@H](N)CO A69136 [1,0,0,0,0,0|1,0,0]=2 57 B4R0.1 C[C@H](O)CN A69178 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 C[C@H](O)CO P60705 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 N=C(N)CO H39795 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 NC(=O)CO H68919 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 BrCCCBr D69412 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 C#CCCN B40327 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 C#CCCO B26554 [1,0,0,0,0,0|0,0,2]=3 64 B4R0.2 C#CCNC M60803 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.2 CC#CCO H64582 [1,0,0,0,0,0|0,0,2]=3 68 B4R0.2 CCCNN P39906 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 CNCC#N M39141 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CNCCBr B38473 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 CNCCCl C39886 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 COCCI K39881 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 CSCCN M62136 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 ClCCCI C1367 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 ICCCI D39865 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 N#CCCN C64951 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 N#CCCO H67414 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.2 N#CCCS M39860 [1,0,0,0,0,0|1,1,1]=4 80 B4R0.2 NCCCCl C37835 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 NCCCO A69322 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.2 NOCCO A39786 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 OCC#CI I9917 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 OCCCBr B39137 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.2 OCCCO P69117 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.1 C#C\C(C)=C/CO M43300 [0,1,0,0,0,0|0,0,3]=4 87 B6R0.1 C=CC[C@@H](N)CO A41325 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.1 CCC[C@H](N)CO A40443 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.1 CCC[C@H](N)CO A66421 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.1 CNC(=O)CCN A40306 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CNC[C@H](O)CO M37886 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.1 COC(=O)CCBr M39155 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.1 COC(=O)CCN M67902 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 COC(=O)CCO M24551 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.1 CO[C@@H](C)CCO M68623 [0,1,0,0,0,0|0,0,0]=1 97 B6R0.1 N#CC[C@H](O)CCl C39152 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.2 CC(=O)NC(C)C P40402 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.2 CC(C)=CB(O)O D3007 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.2 CC(C)CB(O)O M4460 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.2 CC(C)C[C@H](C)N M43511 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.2 CC(C)NC(C)C D64760 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.2 CN(C)CC(=O)Cl D40251 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.2 CN(C)CC(N)=S D69472 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.3 CC(C)C(=O)NN I0020 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,1,0,0,0,0|0,0,0]=1 115 B6R0.3 CC(C)[C@H](N)CO V40442 [0,1,0,0,0,0|0,0,0]=1 116 B6R0.3 CC(C)\C(N)=N\O H39948 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.3 CCC(=O)N(C)C D67412 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.3 CN(C)C(=O)CBr B40249 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 CN(C)C(=O)CN A39947 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 CN(C)C(=O)CN A40307 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 CN(C)C(=O)CN A61441 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 CN(C)C(=O)CO H40267 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.4 CC(=O)CCCCl C68599 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.4 CC(=O)NCCN A68626 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.4 CC(=O)NCCO H68625 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.4 CC(=O)OCCBr B67892 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.4 CC(C)=CCCBr B0351 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.4 CC(C)CCCO M67872 [0,1,0,0,0,0|0,0,0]=1 134 B6R0.4 CC(C)NCCCl C40431 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.4 CC(C)OCCBr B69154 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.4 CN(C)CCCBr B40430 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.4 CN(C)CCCCl C69241 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 CNCCN(C)C T41392 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 COCCC(=O)O M40255 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.5 C=CCC(C)(C)O M8263 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.5 CC(C)(C)C#CI I1890 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.5 CC(C)(C)CCBr B41571 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.5 CC(C)(F)CCN F62077 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.5 CC(C)(N)CCN M37075 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.5 CC(C)(N)CCO A40444 [0,1,0,0,0,0|0,0,0]=1 146 B6R0.5 CC(C)(O)CCN A61563 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.5 CCC[N+](C)(C)C T43586 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.5 CNCC(C)(C)O M40445 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.5 COCC(C)(C)O M40434 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.5 CS(=O)(=O)CCBr M62603 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.5 CS(=O)(=O)CCN M37292 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.5 C[N+](C)(C)CCO H63396 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.5 FC(F)(F)CCI B7174 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.5 NCCC(F)(F)F T22902 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.5 O=S(=O)(O)CCO H69249 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.5 OCCC(F)(F)F T39864 [0,1,0,0,0,0|2,0,0]=3 157 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.2 IC1CCCC1 I20419 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.2 NC1CC=CC1 A13279 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,1,0,0|1,0,0]=2 179 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,1,0,0|1,0,0]=2 182 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,1,0,0|1,0,0]=2 184 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,1,0,0|1,0,0]=2 185 B6R1.2 O=C1CCNC1 P0198 [0,0,0,1,0,0|2,0,1]=4 186 B6R1.2 O=C1CCOC1 X0391 [0,0,0,1,0,0|1,0,1]=3 187 B6R1.2 O=C1CCSC1 D10906 [0,0,0,1,0,0|1,1,1]=4 188 B6R1.2 OC1CC=CC1 C67522 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,1,0,0|2,0,0]=3 191 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,1,0,0|1,0,0]=2 192 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,1,0,0|1,0,0]=2 196 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,1,0,0|1,0,0]=2 197 B6R1.2 O[C@H]1CNOC1 K39924 [0,0,0,1,0,0|2,0,0]=3 198 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,1,0,0|1,0,0]=2 199 B6R1.3 CNCC1CC1 C25333 [0,0,0,1,0,0|2,0,0]=3 200 B6R1.3 ICCC1CC1 I23113 [0,0,0,1,0,0|1,0,0]=2 201 B6R1.3 NCCC1CC1 C7864 [0,0,0,1,0,0|1,0,0]=2 202 B6R1.3 NNCC1CC1 C25488 [0,0,0,1,0,0|2,0,0]=3 203 B6R1.3 NOCC1CC1 C36851 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.3 O=CNC1CC1 C65862 [0,0,0,1,0,0|1,0,2]=4 205 B6R1.3 OCCC1CC1 C7861 [0,0,0,1,0,0|0,0,0]=1 206 B6R1.3 OCCN1CC1 A69643 [0,0,0,1,0,0|1,0,0]=2 207 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,1,0,0|0,0,2]=3 208 B6R1.5 CC1CC(N)C1 M41317 [0,0,0,1,0,0|1,0,0]=2 209 B6R1.5 CN1CC(N)C1 M0108 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.5 CN1CC(O)C1 H0109 [0,0,0,1,0,0|1,0,0]=2 211 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,1,0,0|1,0,2]=4 212 B6R1.5 NC1CC(F)C1 F0321 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.5 NC1CC(N)C1 C11439 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.5 NC1CC(O)C1 A0319 [0,0,0,1,0,0|1,0,0]=2 215 B6R1.5 NC1CC(O)C1 A23779 [0,0,0,1,0,0|1,0,0]=2 216 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [0,0,0,1,0,0|2,0,0]=3 217 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [0,0,0,1,0,0|2,0,0]=3 218 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [0,0,0,1,0,0|2,0,0]=3 219 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [0,0,0,1,0,0|1,0,0]=2 220 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [0,0,0,1,0,0|1,0,0]=2 221 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [0,0,0,1,0,0|2,0,0]=3 222 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [0,0,0,1,0,0|1,0,0]=2 226 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [0,0,0,1,0,0|1,0,0]=2 227 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,1,0,0|1,0,2]=4 228 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,1,0,0|1,0,2]=4 229 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,1,0,0|1,0,1]=3 230 B6R1.5 OC1CC(F)C1 F13605 [0,0,0,1,0,0|1,0,0]=2 231 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [0,0,0,1,0,0|1,0,0]=2 232 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [0,0,0,1,0,0|1,0,0]=2 233 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,0,0,1,0,0|1,0,0]=2 234 B6R1.9 N[C@H]1CC1(F)F D59725 [0,0,0,1,0,0|3,0,0]=4 235 B6R1.10 CC1(C)CNC1 D11454 [0,0,0,1,0,0|2,0,0]=3 236 B6R1.10 CC1(F)CNC1 F11719 [0,0,0,1,0,0|3,0,0]=4 237 B6R1.10 CC1(N)CCC1 M15665 [0,0,0,1,0,0|2,0,0]=3 238 B6R1.10 CC1(N)CCC1 M15666 [0,0,0,1,0,0|2,0,0]=3 239 B6R1.10 CC1(N)CCC1 M6467 [0,0,0,1,0,0|2,0,0]=3 240 B6R1.10 CC1(N)CNC1 A10361 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.10 CC1(N)COC1 M5614 [0,0,0,1,0,0|3,0,0]=4 242 B6R1.10 CC1(N)COC1 M7167 [0,0,0,1,0,0|3,0,0]=4 243 B6R1.10 CC1(N)CSC1 M30085 [0,0,0,1,0,0|3,0,0]=4 244 B6R1.10 CC1(O)CNC1 H0307 [0,0,0,1,0,0|3,0,0]=4 245 B6R1.10 CC1(O)COC1 M6651 [0,0,0,1,0,0|3,0,0]=4 246 B6R1.10 CC1(O)CSC1 M29793 [0,0,0,1,0,0|3,0,0]=4 247 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,0,0,1,0,0|2,0,0]=3 248 B6R1.11 C[C@H](N)C1CC1 C41318 [0,0,0,1,0,0|2,0,0]=3 249 B3R0.1 CCCN P62456 [2,0,0,0,0,0|1,0,0]=3 250 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,0]=3 251 B3R0.1 CCON E60797 [2,0,0,0,0,0|2,0,0]=4 252 B3R0.1 FCCI F39767 [2,0,0,0,0,0|2,0,0]=4 253 B3R0.1 NCCBr B68074 [2,0,0,0,0,0|2,0,0]=4 254 B3R0.1 NCCCl C68611 [2,0,0,0,0,0|2,0,0]=4 255 B3R0.1 NCCF F39796 [2,0,0,0,0,0|2,0,0]=4 256 B3R0.2 CC(=O)O F69263 [2,0,0,0,0,0|1,0,1]=4 257 B3R0.2 CC(C)N P39142 [2,0,0,0,0,0|1,0,0]=3 258 B3R0.2 C[S+](C)C T68118 [2,0,0,0,0,0|1,0,0]=3 259 B5R0.3 C=C(CO)CO M5145 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.3 C=C[C@H](N)CO A40343 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.3 CC(CBr)CBr D40238 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.3 CC(CO)CO M60880 [1,1,0,0,0,0|0,0,0]=2 263 B5R0.3 CCC(=O)CN A32390 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.3 CCC(=O)CO H36713 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.3 CCC(N)CC P40440 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.3 CC[C@@H](N)CO A39144 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.3 CC[C@@H](O)CO B39955 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.3 CC[C@H](N)CO A39145 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.3 CC[C@H](O)CO B39956 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.3 COC(=O)CO M67586 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.3 CO[C@@H](C)CN M40313 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.3 CO[C@@H](C)CO M68380 [1,1,0,0,0,0|0,0,0]=2 273 B5R0.3 CO[C@H](C)CN M40312 [1,1,0,0,0,0|1,0,0]=3 274 B5R0.3 CO[C@H](C)CO M68381 [1,1,0,0,0,0|0,0,0]=2 275 B5R0.3 NCC(O)CN D38498 [1,1,0,0,0,0|2,0,0]=4 276 B5R0.3 NC[C@@H](O)CCl A39888 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.3 NC[C@@H](O)CO A67523 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.3 NC[C@H](Br)CBr D9273 [1,1,0,0,0,0|2,0,0]=4 279 B5R0.3 NC[C@H](O)CCl A36622 [1,1,0,0,0,0|2,0,0]=4 280 B5R0.3 NC[C@H](O)CCl A39887 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.3 NC[C@H](O)CF A28629 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.3 NC[C@H](O)CO A38562 [1,1,0,0,0,0|1,0,0]=3 283 B5R0.3 NC[C@H](O)CO A67451 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.3 O=C[C@H](O)CO D39873 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.3 OC[C@@H](O)CCl C69122 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.3 OC[C@@H](O)CF F60905 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.3 OC[C@H](O)CCl C68371 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.3 OC[C@H](O)CF F60904 [1,1,0,0,0,0|1,0,0]=3 289 B5R0.4 C#CC(C)(C)C D2889 [1,1,0,0,0,0|0,0,2]=4 290 B5R0.4 CC(C)(C)CN D41344 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.4 CC(C)(C)C[Mg+] D31702 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.4 CC(C)(C)NO B41419 [1,1,0,0,0,0|1,0,0]=3 293 B5R0.4 CC(C)(C)ON B40314 [1,1,0,0,0,0|2,0,0]=4 294 B5R0.4 CC(C)(F)CO F64897 [1,1,0,0,0,0|0,0,0]=2 295 B5R0.4 CC(C)(N)C#N A39161 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.4 CC(C)(N)CN M25502 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.4 CC(C)(N)CO A68632 [1,1,0,0,0,0|0,0,0]=2 298 B5R0.4 CC(C)(O)CCl C40272 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.4 CC(C)(O)CN A10987 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.4 CC(C)(O)CO M37968 [1,1,0,0,0,0|0,0,0]=2 301 B5R0.4 CC(C)(S)CN A40315 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.4 CC(F)(F)CN D38838 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.4 C[Si](C)(C)CI K39963 [1,1,0,0,0,0|1,1,0]=4 304 B5R0.4 OCC(Cl)(Cl)Cl T60737 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.4 [C-]#[N+]C(C)(C)C I29922 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.5 CC(C)B(O)O P39893 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.5 CC(C)C(=N)N B40303 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.5 CC(C)C(N)=O I4848 [1,1,0,0,0,0|0,0,2]=4 309 B5R0.5 CC(C)C(N)=S M3101 [1,1,0,0,0,0|0,1,1]=4 310 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|1,0,1]=4 312 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.2 BrCCCCBr D69410 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.2 C#CCCCCl C68183 [1,1,0,0,0,0|1,0,1]=4 318 B5R0.2 C#CCCCI I8474 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.2 C#CCCCN P41368 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.2 C#CCCCO P68382 [1,1,0,0,0,0|0,0,1]=3 321 B5R0.2 C=CCCCBr B41237 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.2 C=CCCCCl C41238 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.2 C=CCCCO P36921 [1,1,0,0,0,0|0,0,1]=3 324 B5R0.2 CCCCON B40310 [1,1,0,0,0,0|0,0,0]=2 325 B5R0.2 CNCCCCl C39954 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.2 CNCCCO M36844 [1,1,0,0,0,0|0,0,0]=2 327 B5R0.2 CNCCOC M23409 [1,1,0,0,0,0|1,0,0]=3 328 B5R0.2 COCCC#N M39153 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 COCCCBr B68335 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.2 COCCCO M69411 [1,1,0,0,0,0|0,0,0]=2 331 B5R0.2 ClCCCCI C40239 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.2 ICCCCI D37834 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.2 N#CCCCBr B67593 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 N#CCCCCl C64907 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.2 NCCCCBr B39952 [1,1,0,0,0,0|1,0,0]=3 336 B5R0.2 NCCCCN D39162 [1,1,0,0,0,0|1,0,0]=3 337 B5R0.2 NOCCON E62368 [1,1,0,0,0,0|2,0,0]=4 338 B5R0.2 OCCCCBr B67330 [1,1,0,0,0,0|0,0,0]=2 339 B5R0.2 OC\C=C\CO B64254 [1,1,0,0,0,0|0,0,2]=4 340 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,2,0,0,0,0|0,0,0]=2 342 B7R0.2 CC(C)NC(=O)CCl P40378 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.2 CC(C)OC(=O)CO I38145 [0,2,0,0,0,0|0,0,1]=3 344 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|0,0,1]=3 345 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.2 CN(C)C[C@H](O)CO D68905 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.2 C[C@H](CCl)CN(C)C C41612 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.3 CCCC[C@@H](N)CO A43512 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,2,0,0,0,0|2,0,0]=4 356 B7R0.5 CC(C)C(=O)CC#N M43378 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.5 CC(C)C(=O)OCCl C24559 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.7 CCC[C@H](N)CCO A43513 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.7 CCOC(=O)CCO E36682 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,2,0,0,0,0|0,0,0]=2 363 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,2,0,0,0,0|1,0,1]=4 367 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,2,0,0,0,0|1,0,1]=4 369 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,2,0,0,0,0|1,0,1]=4 371 B7R0.12 COC(CCBr)OC B40419 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.12 COCC(OC)OC T40436 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.9 CC(C)(C)CB(O)O N40449 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,2,0,0,0,0|0,0,1]=3 375 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,2,0,0,0,0|0,0,2]=4 376 B7R0.9 CC(C)CS(=O)(=O)Cl M40271 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.16 CC(C)C(N)C(C)C D46525 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,2,0,0,0,0|0,0,1]=3 379 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,2,0,0,0,0|0,0,1]=3 380 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,2,0,0,0,0|0,0,1]=3 381 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,2,0,0,0,0|0,0,1]=3 382 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,2,0,0,0,0|1,0,1]=4 383 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,2,0,0,0,0|1,0,1]=4 385 B7R0.14 CC(C)(C)[C@@H](N)CO L32323 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.14 CC(C)(C)[C@H](N)CO L32374 [0,2,0,0,0,0|0,0,0]=2 387 B7R0.14 C[C@@H](CO)C(F)(F)F T36837 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.14 N[C@@H](CO)C(F)(F)F A39922 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.14 OC[C@H](Br)C(F)(F)F B39852 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,2,0,0,0,0|0,0,0]=2 391 B7R0.4 CC(C)CCCCBr B43898 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.4 CC(C)CCN=[N+]=[N-] A3458 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.4 CCCCC[C@H](C)O H43947 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.4 CN(C)CCCCO D41621 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.4 CN(C)CCN=[N+]=[N-] A5179 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.4 C[C@H](O)CNCCO H40448 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.6 CN(C)CCC(=O)O D41335 [0,2,0,0,0,0|1,0,0]=3 398 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,2,0,0,0,0|1,0,0]=3 399 B7R0.6 O=C(O)CCC(F)F D59737 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.8 CS(=O)(=O)CCCO M6981 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.8 C[N+](C)(C)CCCBr B68260 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.8 C[Si](C)(C)\C=C\CO T41617 [0,2,0,0,0,0|0,1,1]=4 403 B7R0.8 OCCCC(F)(F)F T69357 [0,2,0,0,0,0|2,0,0]=4 404 B5R1.2 BrC1CCC1 B23687 [1,0,0,1,0,0|1,0,0]=3 405 B5R1.2 BrC1CNC1 B13326 [1,0,0,1,0,0|2,0,0]=4 406 B5R1.2 BrC1COC1 B5688 [1,0,0,1,0,0|1,0,0]=3 407 B5R1.2 CC1CNC1 M1321 [1,0,0,1,0,0|1,0,0]=3 408 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,1,0,0|1,0,0]=3 409 B5R1.2 ClC1CNC1 C1323 [1,0,0,1,0,0|2,0,0]=4 410 B5R1.2 ClC1COC1 C8470 [1,0,0,1,0,0|1,0,0]=3 411 B5R1.2 FC1CNC1 F5255 [1,0,0,1,0,0|2,0,0]=4 412 B5R1.2 IC1CCC1 I23424 [1,0,0,1,0,0|1,0,0]=3 413 B5R1.2 IC1CNC1 I13327 [1,0,0,1,0,0|2,0,0]=4 414 B5R1.2 IC1COC1 I5689 [1,0,0,1,0,0|1,0,0]=3 415 B5R1.2 NC1CCC1 C60561 [1,0,0,1,0,0|1,0,0]=3 416 B5R1.2 NC1CNC1 A5482 [1,0,0,1,0,0|2,0,0]=4 417 B5R1.2 NC1COC1 O5613 [1,0,0,1,0,0|1,0,0]=3 418 B5R1.2 NC1CSC1 T6025 [1,0,0,1,0,0|1,1,0]=4 419 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|1,0,1]=4 420 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|1,0,1]=4 421 B5R1.2 OC1CNC1 H2864 [1,0,0,1,0,0|2,0,0]=4 422 B5R1.2 OC1COC1 O5686 [1,0,0,1,0,0|1,0,0]=3 423 B5R1.2 SC1CNC1 A11453 [1,0,0,1,0,0|2,0,0]=4 424 B5R1.2 SC1COC1 O8471 [1,0,0,1,0,0|1,0,0]=3 425 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,1,0,0|1,0,0]=3 426 B5R1.3 BrCC1CC1 C2498 [1,0,0,1,0,0|1,0,0]=3 427 B5R1.3 CNC1CC1 M1319 [1,0,0,1,0,0|1,0,0]=3 428 B5R1.3 CNC1CC1 M14718 [1,0,0,1,0,0|1,0,0]=3 429 B5R1.3 ClC[C@@H]1CO1 E10841 [1,0,0,1,0,0|2,0,0]=4 430 B5R1.3 ClC[C@H]1CO1 E10840 [1,0,0,1,0,0|2,0,0]=4 431 B5R1.3 NNC1CC1 C19179 [1,0,0,1,0,0|2,0,0]=4 432 B5R1.3 NNC1CC1 C32080 [1,0,0,1,0,0|2,0,0]=4 433 B5R1.3 O=CC1CC1 C20058 [1,0,0,1,0,0|0,0,2]=4 434 B5R1.3 OC[C@@H]1CO1 X39872 [1,0,0,1,0,0|1,0,0]=3 435 B5R1.3 OC[C@H]1CO1 X60516 [1,0,0,1,0,0|1,0,0]=3 436 B5R1.4 C[C@@H]1C[C@H]1N M40340 [1,0,0,1,0,0|1,0,0]=3 437 B5R1.4 N[C@@H]1C[C@H]1F F32136 [1,0,0,1,0,0|2,0,0]=4 438 B5R1.5 CC1(Br)CC1 B29865 [1,0,0,1,0,0|1,0,0]=3 439 B5R1.5 CC1(N)CC1 M13330 [1,0,0,1,0,0|1,0,0]=3 440 B5R1.5 CC1(O)CC1 M22890 [1,0,0,1,0,0|1,0,0]=3 441 B5R1.1 C1CNNC1 P39938 [1,0,0,1,0,0|2,0,0]=4 442 B5R1.1 C1CSCN1 T38217 [1,0,0,1,0,0|1,1,0]=4 443 B5R1.1 C1CSCN1 T60563 [1,0,0,1,0,0|1,1,0]=4 444 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,1,0,0|0,0,0]=2 447 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,1,0,1,0,0|0,0,1]=3 448 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,1,0,0|0,0,0]=2 451 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,1,0,0|0,0,0]=2 452 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,1,0,0|0,0,0]=2 460 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,1,0,1,0,0|0,0,1]=3 462 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,1,0,1,0,0|1,0,1]=4 463 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,1,0,1,0,0|1,0,1]=4 464 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,1,0,1,0,0|0,0,1]=3 466 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,1,0,1,0,0|0,0,1]=3 467 B7R1.1 NCC1CCCC1 C5395 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,1,0,0|0,0,0]=2 471 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,1,0,0|0,0,0]=2 472 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,1,0,0|0,0,0]=2 474 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,1,0,0|0,0,0]=2 475 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,1,0,0|0,0,0]=2 476 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,1,0,0|0,0,0]=2 477 B7R1.1 NNC1CCCC1 C22580 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.1 OCC1CC=CC1 C11867 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.1 OCC1CCCC1 C23297 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,1,0,0|0,0,0]=2 487 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,1,0,0|0,0,0]=2 497 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,1,0,0|0,0,0]=2 498 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,1,0,0|0,0,2]=4 507 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,1,0,0|0,0,0]=2 509 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,1,0,0|1,0,1]=4 511 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,1,0,0|0,0,0]=2 512 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|1,0,1]=4 517 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,1,0,0|1,0,1]=4 525 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 BrC1CCCCC1 B69054 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.3 BrC1CCNCC1 B40375 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.3 BrC1CCOCC1 B1507 [0,1,0,1,0,0|1,0,0]=3 534 B7R1.3 BrC1CCSCC1 B31817 [0,1,0,1,0,0|1,1,0]=4 535 B7R1.3 C=C1CCOCC1 M23324 [0,1,0,1,0,0|0,0,2]=4 536 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.3 CC1SCCCS1 M63108 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.3 CN1CCNCC1 M13367 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,1,0,1,0,0|1,0,0]=3 544 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,1,0,0|0,0,0]=2 545 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,1,0,0|0,0,0]=2 546 B7R1.3 C[C@H]1CCCCN1 M43475 [0,1,0,1,0,0|1,0,0]=3 547 B7R1.3 C[C@H]1CNCCN1 M10717 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.3 C[C@H]1CNCCO1 M15401 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.3 C[C@H]1CNCCO1 M15402 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.3 C[C@H]1CNCCO1 M29509 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.3 C[C@H]1CNCCO1 M41323 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,1,0,0|0,0,0]=2 553 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,1,0,0|0,0,0]=2 554 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,1,0,0|0,0,0]=2 555 B7R1.3 ClC1CCNCC1 C40376 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.3 ClC1CCOCC1 C4527 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.3 FC1CCNCC1 F6080 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.3 F[C@H]1CCCNC1 F1651 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.3 F[C@H]1CCCNC1 F7461 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.3 IC1CCOCC1 I1189 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.3 IC1CCSCC1 I31818 [0,1,0,1,0,0|1,1,0]=4 563 B7R1.3 NC1CCCCC1 C39283 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.3 NC1CCNCC1 P67610 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.3 NC1CCOCC1 A1504 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.3 NC1CCOCC1 T1169 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.3 NC1CCSCC1 T22381 [0,1,0,1,0,0|1,1,0]=4 568 B7R1.3 NC1CCSCC1 T5312 [0,1,0,1,0,0|1,1,0]=4 569 B7R1.3 NN1CCOCC1 A39946 [0,1,0,1,0,0|2,0,0]=4 570 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.3 N[C@H]1CCCNC1 P41385 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.3 N[C@H]1CCCNC1 P67457 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.3 N[C@H]1CCCOC1 T1132 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.3 N[C@H]1CCCOC1 X17960 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,1,0,0|1,0,1]=4 578 B7R1.3 O=C1CCOCC1 T4632 [0,1,0,1,0,0|1,0,1]=4 579 B7R1.3 O=C1COCCN1 M7700 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.3 O=C1COCCO1 D38663 [0,1,0,1,0,0|1,0,1]=4 581 B7R1.3 OC1CCNCC1 P24137 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.3 OC1CCNCC1 P41321 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.3 OC1CCOCC1 H0389 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.3 OC1CCSCC1 H31816 [0,1,0,1,0,0|1,1,0]=4 585 B7R1.3 OC1COCOC1 D38760 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.3 O[C@H]1CCCNC1 H0276 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.3 O[C@H]1CCCNC1 H10264 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.3 O[C@H]1CCCNC1 H10265 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.3 O[C@H]1CCCNC1 H4736 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.3 O[C@H]1CCCOC1 H11398 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.3 O[C@H]1CCCOC1 T25087 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.3 SC1CCNCC1 P11895 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.3 S[C@H]1CCCNC1 P15399 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,1,0,1,0,0|1,0,0]=3 600 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,1,0,1,0,0|1,1,0]=4 602 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,1,0,0|1,0,0]=3 603 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,1,0,0|0,0,0]=2 604 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,1,0,0|1,0,1]=4 605 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|1,0,1]=4 606 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,1,0,0|1,0,1]=4 607 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|0,0,1]=3 608 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.4 NC1CCCC1O A40401 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.4 NC1COCC1O A32163 [0,1,0,1,0,0|1,0,0]=3 613 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|1,0,1]=4 620 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,1,0,1,0,0|1,0,0]=3 625 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,1,0,1,0,0|1,0,0]=3 626 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|1,0,1]=4 630 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,1,0,1,0,0|1,0,0]=3 632 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,1,0,1,0,0|1,0,0]=3 633 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,1,0,1,0,0|1,0,0]=3 634 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,1,0,1,0,0|2,0,0]=4 642 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,1,0,1,0,0|2,0,0]=4 644 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,1,0,1,0,0|1,0,0]=3 645 B7R1.5 CCC[C@@H]1ON1C M65450 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.6 C=CCC1CNC1 P20750 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.6 CCNC1COC1 E8452 [0,1,0,1,0,0|2,0,0]=4 648 B7R1.6 CCOC1CNC1 E41322 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.6 CNCC1COC1 M8438 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.6 COCC1CNC1 A0186 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.6 COCC1CNC1 M1326 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.6 COC[C@@H]1CCN1 M11645 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.6 COC[C@@H]1CCN1 M20218 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.6 COC[C@H]1CCN1 M11646 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.6 COC[C@H]1CCN1 M14791 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.6 ClCCN1CCC1 C11577 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.6 N#CCC1CNC1 A19606 [0,1,0,1,0,0|1,0,1]=4 658 B7R1.6 NCCC1CCC1 C15341 [0,1,0,1,0,0|1,0,0]=3 659 B7R1.6 NCCN1CCC1 A25439 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.6 NNCC1CCC1 C17979 [0,1,0,1,0,0|2,0,0]=4 661 B7R1.6 OCCC1COC1 X6653 [0,1,0,1,0,0|0,0,0]=2 662 B7R1.6 OCCN1CCC1 A25441 [0,1,0,1,0,0|1,0,0]=3 663 B7R1.6 OCC[C@H]1CCO1 X59677 [0,1,0,1,0,0|0,0,0]=2 664 B7R1.8 CN1CC[C@@H]1CN A14392 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.8 CN1CC[C@@H]1CN A14394 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.8 CN1CC[C@H]1CN A14393 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.8 NCC1CCC1F F59751 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,1,0,0|1,0,1]=4 669 B7R1.8 OCC1CCC1F F60214 [0,1,0,1,0,0|1,0,0]=3 670 B7R1.10 CCN1CC(N)C1 A11460 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.10 CCN1CC(O)C1 A0524 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.10 CN1CC(CN)C1 M7239 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.10 CNC1CC(O)C1 M10596 [0,1,0,1,0,0|0,0,0]=2 674 B7R1.10 CNC1CN(C)C1 D11649 [0,1,0,1,0,0|2,0,0]=4 675 B7R1.10 CNC1CN(C)C1 D1346 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,1,0,1,0,0|0,0,0]=2 677 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,1,0,1,0,0|0,0,0]=2 678 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,1,0,1,0,0|0,0,0]=2 679 B7R1.10 COC1CC(N)C1 M0320 [0,1,0,1,0,0|1,0,0]=3 680 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [0,1,0,1,0,0|1,0,0]=3 681 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.10 N#CC1CC(F)C1 F20403 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.10 N#CC1CC(N)C1 A10726 [0,1,0,1,0,0|1,0,1]=4 684 B7R1.10 N#CC1CC(O)C1 H22204 [0,1,0,1,0,0|0,0,1]=3 685 B7R1.10 N#C[C@H]1C[C@@H](O)C1 H7468 [0,1,0,1,0,0|0,0,1]=3 686 B7R1.10 N#C[C@H]1C[C@H](O)C1 H60435 [0,1,0,1,0,0|0,0,1]=3 687 B7R1.10 NC1CC(CO)C1 A0314 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.10 NC1CC(CO)C1 A12367 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,1,0,0|0,0,2]=4 690 B7R1.10 NCC1CC(O)C1 A12368 [0,1,0,1,0,0|0,0,0]=2 691 B7R1.10 NCC1CC(O)C1 A7528 [0,1,0,1,0,0|0,0,0]=2 692 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [0,1,0,1,0,0|1,0,0]=3 693 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,1,0,1,0,0|0,0,0]=2 694 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,1,0,1,0,0|0,0,0]=2 695 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,1,0,1,0,0|0,0,0]=2 697 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,1,0,1,0,0|0,0,0]=2 698 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [0,1,0,1,0,0|1,0,0]=3 699 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [0,1,0,1,0,0|1,0,0]=3 700 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [0,1,0,1,0,0|1,0,0]=3 701 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,1,0,0|0,0,2]=4 703 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|0,0,2]=4 704 B7R1.10 OCC1CC(Cl)C1 C11852 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.10 OCC1CC(F)C1 F31669 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.10 OCC1CC(O)C1 H40382 [0,1,0,1,0,0|0,0,0]=2 707 B7R1.21 CC1(CCN)N=N1 M63685 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.21 CC1(CCO)CC1 M22121 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.21 CC1(CCO)N=N1 M32161 [0,1,0,1,0,0|1,0,0]=3 710 B7R1.22 CCC(=O)C1CC1 C24823 [0,1,0,1,0,0|1,0,1]=4 711 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,1,0,1,0,0|1,0,0]=3 712 B7R1.22 N=C(NO)C1CC1 H38637 [0,1,0,1,0,0|1,0,1]=4 713 B7R1.25 CC1(CBr)COC1 B0548 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.25 CC1(CCl)COC1 C8473 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.25 CC1(CI)COC1 I1186 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.25 CC1(CN)CCC1 M1145 [0,1,0,1,0,0|1,0,0]=3 717 B7R1.25 CC1(CN)CCC1 M14421 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.25 CC1(CN)CNC1 M7823 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.25 CC1(CN)COC1 A5692 [0,1,0,1,0,0|2,0,0]=4 720 B7R1.25 CC1(CO)CNC1 M29667 [0,1,0,1,0,0|2,0,0]=4 721 B7R1.25 CC1(CO)COC1 M6652 [0,1,0,1,0,0|2,0,0]=4 722 B7R1.25 CC1(CO)CSC1 M1298 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.25 CC1(CS)COC1 M8472 [0,1,0,1,0,0|2,0,0]=4 724 B7R1.25 CNC1(C)COC1 D31259 [0,1,0,1,0,0|2,0,0]=4 725 B7R1.25 CNC1(C)COC1 D8492 [0,1,0,1,0,0|2,0,0]=4 726 B7R1.25 COC1(C)CNC1 M0268 [0,1,0,1,0,0|2,0,0]=4 727 B7R1.25 NC1(CO)CCC1 A10610 [0,1,0,1,0,0|2,0,0]=4 728 B7R1.25 NC1(CO)CCC1 A13167 [0,1,0,1,0,0|2,0,0]=4 729 B7R1.25 NCC1(F)CCC1 F19982 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.25 NCC1(O)CCC1 A21927 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,1,0,1,0,0|0,0,1]=3 732 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,1,0,1,0,0|0,0,1]=3 733 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,1,0,1,0,0|0,0,1]=3 734 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,1,0,1,0,0|0,0,1]=3 735 B7R1.12 O=C(O)C1CC1F F20460 [0,1,0,1,0,0|1,0,1]=4 736 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,1,0,1,0,0|1,0,1]=4 737 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,1,0,1,0,0|1,0,1]=4 740 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.16 CC1(C)CC(N)C1 D18434 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.16 CC1(C)CC(O)C1 D24163 [0,1,0,1,0,0|0,0,0]=2 743 B7R1.16 CC1(F)CC(N)C1 F21497 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.16 CC1(N)CC(O)C1 A11703 [0,1,0,1,0,0|0,0,0]=2 745 B7R1.16 C[C@]1(N)C[C@@H](O)C1 A11704 [0,1,0,1,0,0|0,0,0]=2 746 B7R1.16 C[C@]1(N)C[C@H](O)C1 A11705 [0,1,0,1,0,0|0,0,0]=2 747 B7R1.16 C[C@]1(O)C[C@@H](N)C1 SB8010 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.16 C[C@]1(O)C[C@H](N)C1 SB7371 [0,1,0,1,0,0|1,0,0]=3 749 B7R1.16 FC1(F)CC(Br)C1 B11669 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.16 NC1CC(F)(F)C1 D0322 [0,1,0,1,0,0|2,0,0]=4 751 B7R1.16 O=S1(=O)CC(O)C1 H39874 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.16 OC1CC(F)(F)C1 D11666 [0,1,0,1,0,0|1,0,0]=3 753 B7R1.20 O=C(O)CC1CC1 C11216 [0,1,0,1,0,0|0,0,1]=3 754 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,1,0,0|0,0,1]=3 755 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,1,0,1,0,0|0,0,0]=2 756 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,1,0,1,0,0|0,0,0]=2 757 B7R1.18 CN(C)C1CNC1 D30008 [0,1,0,1,0,0|2,0,0]=4 758 B7R1.18 CN(C)C1CNC1 D7524 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.23 CC1(C)C[C@@H]1C#N D43322 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.23 OC[C@@H]1CC1(F)F D59953 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.7 BrCC#CC1CC1 B42961 [0,1,0,1,0,0|1,0,1]=4 763 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,1,0,0|0,0,0]=2 769 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,1,0,0|1,0,0]=3 770 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,1,0,0|1,0,0]=3 772 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,1,0,0|1,0,0]=3 773 B7R1.14 FC1(F)CCNC1 D5712 [0,1,0,1,0,0|2,0,0]=4 774 B7R2.11 C1CN2CN1C2 D40240 [0,0,0,2,0,0|2,0,0]=4 775 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,2,0,0|1,0,0]=3 776 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,2,0,0|1,0,0]=3 777 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,2,0,0|1,0,0]=3 778 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,2,0,0|1,0,0]=3 779 B7R2.13 C1NCC2CC12 A13737 [0,0,0,2,0,0|1,0,0]=3 780 B7R2.13 C1NCC2CC12 A1579 [0,0,0,2,0,0|1,0,0]=3 781 B7R2.13 C1OCC2OC12 E12004 [0,0,0,2,0,0|1,0,0]=3 782 B7R2.16 C1CC12CNC2 A21417 [0,0,0,2,0,0|2,0,0]=4 783 B7R2.5 NC12CC(C1)C2 B13578 [0,0,0,2,0,0|1,0,0]=3