0 B6R0.1 C=CC[C@@H](N)CO A41325 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CC=CC(=O)CC H41457 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.1 CCC[C@H](N)CO A40443 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCC[C@H](N)CO A66421 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCOC(=O)CN G69291 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCOC(=O)CO E37817 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCOC(=O)OC E40254 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CNC(=O)CCN A40306 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CNC[C@H](O)CO M37886 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 COC(=O)CCBr M39155 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 COC(=O)CCN M67902 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 COC(=O)CCO M24551 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CO[C@@H](C)CCO M68623 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 N#CC[C@H](O)CCl C39152 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C=CC[C@H](C)O P62507 [1,0,0,0,0,0|0,0,2]=3 17 B5R0.1 CC#C[C@H](C)O B1790 [1,0,0,0,0,0|0,0,2]=3 18 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(C)CNN B40316 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CN(C)CCBr B39953 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 COC[C@@H](C)N M40311 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 C[C@@H](N)CCO A10772 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 C[C@H](N)CCO A10771 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 C[C@H](N)CCO A39964 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 OCCC(F)F D60407 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 BrCCCCBr D69410 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 C#CCCCCl C68183 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 C#CCCCI I8474 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 C#CCCCN P41368 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 C#CCCCO P68382 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 CNCCOC M23409 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 COCCC#N M39153 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 ClCCCCI C40239 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.2 ICCCCI D37834 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.2 N#CCCCBr B67593 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 N#CCCCCl C64907 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 NCCCCBr B39952 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 NCCCCN D39162 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 OCCCCBr B67330 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.3 CC(CBr)CBr D40238 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CCC(=O)CN A32390 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|1,0,0]=2 67 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.3 NCC(O)CN D38498 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.3 NC[C@@H](O)CCl A39888 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.3 NC[C@@H](O)CO A67523 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.3 NC[C@H](Br)CBr D9273 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.3 NC[C@H](O)CCl A36622 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.3 NC[C@H](O)CCl A39887 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 NC[C@H](O)CF A28629 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.3 NC[C@H](O)CO A38562 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 NC[C@H](O)CO A67451 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 OC[C@@H](O)CCl C69122 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.3 OC[C@@H](O)CF F60905 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.3 OC[C@H](O)CCl C68371 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.3 OC[C@H](O)CF F60904 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|0,0,3]=4 88 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.2 CN(C)C[C@H](O)CO D68905 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.2 C[C@H](CCl)CN(C)C C41612 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.3 CCCOC(=O)OC M40388 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.3 CNCCC(=O)OC M40412 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.7 CCNC(=O)NCC D40424 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.7 CCOC(=O)CCBr E39188 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.7 CCOC(=O)CCI E41273 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.7 CCOC(=O)CCO E36682 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.7 CCOC(=O)CNC S69399 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.7 CCOC(=O)CSC E40386 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.7 COCC(=O)COC D40391 [0,1,0,0,0,0|1,0,2]=4 120 B7R0.7 COCC(N)COC D40447 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,0,0,0,0|0,0,3]=4 123 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.12 COC(CCBr)OC B40419 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.12 COCC(OC)OC T40436 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.1 CN[C@H]1CCOC1 M1156 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.1 COC1=NCCC1 M69559 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.1 IC[C@H]1CCOC1 I12451 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.1 NCC1CCCC1 C5395 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,1,0,0|1,0,0]=2 160 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.1 NC[C@H]1CCOC1 T10324 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.1 NC[C@H]1CCOC1 T1153 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.1 NC[C@H]1CCOC1 T1674 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.1 NC[C@H]1CCOC1 T7262 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.1 NNC1CCCC1 C22580 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.1 OCC1CCCC1 C23297 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.1 OCC1OCCO1 D40256 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,1,0,0|1,0,0]=2 174 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|1,0,2]=4 189 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|1,0,2]=4 197 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|1,0,2]=4 199 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.2 NC1CCC(O)C1 A1764 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,0,0,1,0,0|1,0,0]=2 202 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,0,0,1,0,0|1,0,0]=2 209 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|1,0,1]=3 211 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.2 OC1CCC(O)C1 C24450 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.3 CC1SCCCS1 M63108 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.3 CN1CCNCC1 M13367 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,1,0,0|3,0,0]=4 231 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.3 FC1CCNCC1 F6080 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.3 IC1CCOCC1 I1189 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.3 IC1CCSCC1 I31818 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.3 NC1CCNCC1 P67610 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.3 NC1CCOCC1 A1504 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.3 NC1CCOCC1 T1169 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.3 NC1CCSCC1 T22381 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.3 NC1CCSCC1 T5312 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.3 NN1CCOCC1 A39946 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|1,0,2]=4 263 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|1,0,2]=4 264 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|1,0,2]=4 265 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|1,0,2]=4 267 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|1,0,2]=4 268 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|1,0,2]=4 269 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|1,0,2]=4 270 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.3 OC1CCNCC1 P24137 [0,0,0,1,0,0|1,0,0]=2 272 B7R1.3 OC1CCNCC1 P41321 [0,0,0,1,0,0|1,0,0]=2 273 B7R1.3 OC1CCOCC1 H0389 [0,0,0,1,0,0|1,0,0]=2 274 B7R1.3 OC1CCSCC1 H31816 [0,0,0,1,0,0|1,0,0]=2 275 B7R1.3 OC1COCOC1 D38760 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,1,0,0|1,0,0]=2 277 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,1,0,0|1,0,0]=2 278 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,1,0,0|1,0,0]=2 279 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,1,0,0|1,0,0]=2 283 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,1,0,0|1,0,0]=2 284 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,1,0,0|1,0,0]=2 286 B7R1.3 SC1CCNCC1 P11895 [0,0,0,1,0,0|1,1,0]=3 287 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,1,0,0|1,1,0]=3 288 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|1,0,0]=2 289 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|1,1,1]=4 293 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,0,0,1,0,0|1,0,0]=2 294 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|1,0,2]=4 296 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|0,0,2]=3 297 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,2]=4 298 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|1,0,2]=4 299 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|1,0,0]=2 303 B7R1.4 NC1COCC1O A32163 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|1,0,0]=2 308 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|1,0,0]=2 309 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|1,0,0]=2 310 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,0,0,1,0,0|2,0,0]=3 316 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,0,0,1,0,0|2,0,0]=3 317 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|1,0,0]=2 318 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|1,0,0]=2 319 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,0,0,1,0,0|3,0,0]=4 321 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|2,0,1]=4 323 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|2,0,1]=4 324 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|2,0,1]=4 325 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,0,0,1,0,0|1,0,0]=2 326 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,0,0,1,0,0|2,0,0]=3 327 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,0,0,1,0,0|2,0,0]=3 329 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,0,0,1,0,0|2,0,0]=3 330 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,0,0,1,0,0|2,0,0]=3 331 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,0,0,1,0,0|2,0,0]=3 332 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,0,0,1,0,0|2,0,0]=3 333 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,0,0,1,0,0|2,0,0]=3 334 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,0,0,1,0,0|2,0,0]=3 335 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,0,1,0,0|1,0,0]=2 336 B7R1.6 CCNC1COC1 E8452 [0,0,0,1,0,0|3,0,0]=4 337 B7R1.6 CCOC1CNC1 E41322 [0,0,0,1,0,0|3,0,0]=4 338 B7R1.6 CNCC1COC1 M8438 [0,0,0,1,0,0|3,0,0]=4 339 B7R1.6 COCC1CNC1 A0186 [0,0,0,1,0,0|3,0,0]=4 340 B7R1.6 COCC1CNC1 M1326 [0,0,0,1,0,0|3,0,0]=4 341 B7R1.6 COC[C@@H]1CCN1 M11645 [0,0,0,1,0,0|2,0,0]=3 342 B7R1.6 COC[C@@H]1CCN1 M20218 [0,0,0,1,0,0|2,0,0]=3 343 B7R1.6 COC[C@H]1CCN1 M11646 [0,0,0,1,0,0|2,0,0]=3 344 B7R1.6 COC[C@H]1CCN1 M14791 [0,0,0,1,0,0|2,0,0]=3 345 B7R1.6 ClCCN1CCC1 C11577 [0,0,0,1,0,0|3,0,0]=4 346 B7R1.6 NCCC1CCC1 C15341 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.6 NCCN1CCC1 A25439 [0,0,0,1,0,0|3,0,0]=4 348 B7R1.6 NNCC1CCC1 C17979 [0,0,0,1,0,0|3,0,0]=4 349 B7R1.6 OCCC1COC1 X6653 [0,0,0,1,0,0|3,0,0]=4 350 B7R1.6 OCCN1CCC1 A25441 [0,0,0,1,0,0|3,0,0]=4 351 B7R1.6 OCC[C@H]1CCO1 X59677 [0,0,0,1,0,0|1,0,0]=2 352 B7R1.8 CN1CC[C@@H]1CN A14392 [0,0,0,1,0,0|3,0,0]=4 353 B7R1.8 CN1CC[C@@H]1CN A14394 [0,0,0,1,0,0|3,0,0]=4 354 B7R1.8 CN1CC[C@H]1CN A14393 [0,0,0,1,0,0|3,0,0]=4 355 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,0,0,1,0,0|2,0,0]=3 356 B7R1.8 NCC1CCC1F F59751 [0,0,0,1,0,0|2,0,0]=3 357 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|1,0,2]=4 358 B7R1.8 OCC1CCC1F F60214 [0,0,0,1,0,0|2,0,0]=3 359 B7R1.10 CCN1CC(N)C1 A11460 [0,0,0,1,0,0|3,0,0]=4 360 B7R1.10 CCN1CC(O)C1 A0524 [0,0,0,1,0,0|3,0,0]=4 361 B7R1.10 CN1CC(CN)C1 M7239 [0,0,0,1,0,0|3,0,0]=4 362 B7R1.10 CNC1CC(O)C1 M10596 [0,0,0,1,0,0|3,0,0]=4 363 B7R1.10 CNC1CN(C)C1 D11649 [0,0,0,1,0,0|3,0,0]=4 364 B7R1.10 CNC1CN(C)C1 D1346 [0,0,0,1,0,0|3,0,0]=4 365 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,0,0,1,0,0|3,0,0]=4 366 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,0,0,1,0,0|3,0,0]=4 367 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,0,0,1,0,0|3,0,0]=4 368 B7R1.10 COC1CC(N)C1 M0320 [0,0,0,1,0,0|3,0,0]=4 369 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [0,0,0,1,0,0|3,0,0]=4 370 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [0,0,0,1,0,0|3,0,0]=4 371 B7R1.10 NC1CC(CO)C1 A0314 [0,0,0,1,0,0|3,0,0]=4 372 B7R1.10 NC1CC(CO)C1 A12367 [0,0,0,1,0,0|3,0,0]=4 373 B7R1.10 NCC1CC(O)C1 A12368 [0,0,0,1,0,0|3,0,0]=4 374 B7R1.10 NCC1CC(O)C1 A7528 [0,0,0,1,0,0|3,0,0]=4 375 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [0,0,0,1,0,0|3,0,0]=4 376 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,0,0,1,0,0|3,0,0]=4 377 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,0,0,1,0,0|3,0,0]=4 378 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [0,0,0,1,0,0|3,0,0]=4 379 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,0,0,1,0,0|3,0,0]=4 380 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,0,0,1,0,0|3,0,0]=4 381 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [0,0,0,1,0,0|3,0,0]=4 382 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [0,0,0,1,0,0|3,0,0]=4 383 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [0,0,0,1,0,0|3,0,0]=4 384 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [0,0,0,1,0,0|3,0,0]=4 385 B7R1.10 OCC1CC(Cl)C1 C11852 [0,0,0,1,0,0|3,0,0]=4 386 B7R1.10 OCC1CC(F)C1 F31669 [0,0,0,1,0,0|3,0,0]=4 387 B7R1.10 OCC1CC(O)C1 H40382 [0,0,0,1,0,0|3,0,0]=4 388 B7R1.21 CC1(CCO)CC1 M22121 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,0,1,0,0|0,0,2]=3 390 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,0,0,1,0,0|0,0,0]=1 391 B7R1.25 C#CC1(O)CNC1 E14930 [0,0,0,1,0,0|1,0,2]=4 392 B7R1.25 C#CC1(O)COC1 E6671 [0,0,0,1,0,0|1,0,2]=4 393 B7R1.25 C=CC1(O)COC1 V13477 [0,0,0,1,0,0|1,0,2]=4 394 B7R1.25 CC1(CBr)COC1 B0548 [0,0,0,1,0,0|3,0,0]=4 395 B7R1.25 CC1(CCl)COC1 C8473 [0,0,0,1,0,0|3,0,0]=4 396 B7R1.25 CC1(CI)COC1 I1186 [0,0,0,1,0,0|3,0,0]=4 397 B7R1.25 CC1(CN)CCC1 M1145 [0,0,0,1,0,0|2,0,0]=3 398 B7R1.25 CC1(CN)CCC1 M14421 [0,0,0,1,0,0|2,0,0]=3 399 B7R1.25 CC1(CN)CNC1 M7823 [0,0,0,1,0,0|3,0,0]=4 400 B7R1.25 CC1(CN)COC1 A5692 [0,0,0,1,0,0|3,0,0]=4 401 B7R1.25 CC1(CO)CNC1 M29667 [0,0,0,1,0,0|3,0,0]=4 402 B7R1.25 CC1(CO)COC1 M6652 [0,0,0,1,0,0|3,0,0]=4 403 B7R1.25 CC1(CO)CSC1 M1298 [0,0,0,1,0,0|3,0,0]=4 404 B7R1.25 CC1(CS)COC1 M8472 [0,0,0,1,0,0|3,0,0]=4 405 B7R1.25 CCC1(N)CNC1 A14400 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.25 CCC1(N)COC1 E7159 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.25 CCC1(O)CNC1 E11455 [0,0,0,1,0,0|1,0,0]=2 408 B7R1.25 CCC1(O)COC1 E40380 [0,0,0,1,0,0|1,0,0]=2 409 B7R1.25 CNC1(C)COC1 D31259 [0,0,0,1,0,0|3,0,0]=4 410 B7R1.25 CNC1(C)COC1 D8492 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.25 COC1(C)CNC1 M0268 [0,0,0,1,0,0|3,0,0]=4 412 B7R1.25 FC1(CBr)COC1 B6265 [0,0,0,1,0,0|3,0,0]=4 413 B7R1.25 FC1(CI)COC1 F8394 [0,0,0,1,0,0|3,0,0]=4 414 B7R1.25 NC1(CO)CCC1 A10610 [0,0,0,1,0,0|2,0,0]=3 415 B7R1.25 NC1(CO)CCC1 A13167 [0,0,0,1,0,0|2,0,0]=3 416 B7R1.25 NC1(CO)COC1 A6679 [0,0,0,1,0,0|3,0,0]=4 417 B7R1.25 NCC1(F)CCC1 F19982 [0,0,0,1,0,0|2,0,0]=3 418 B7R1.25 NCC1(F)COC1 A8392 [0,0,0,1,0,0|3,0,0]=4 419 B7R1.25 NCC1(N)COC1 A11911 [0,0,0,1,0,0|3,0,0]=4 420 B7R1.25 NCC1(O)CCC1 A21927 [0,0,0,1,0,0|1,0,0]=2 421 B7R1.25 NCC1(O)COC1 H7163 [0,0,0,1,0,0|2,0,0]=3 422 B7R1.25 OCC1(F)CNC1 F11720 [0,0,0,1,0,0|3,0,0]=4 423 B7R1.25 OCC1(F)COC1 F6264 [0,0,0,1,0,0|3,0,0]=4 424 B7R1.25 OCC1(O)CNC1 B30129 [0,0,0,1,0,0|2,0,0]=3 425 B7R1.25 OCC1(O)COC1 H31091 [0,0,0,1,0,0|2,0,0]=3 426 B7R1.27 CC[C@]1(C)ON1C E65451 [0,0,0,1,0,0|3,0,0]=4 427 B4R0.1 C#C[C@@H](C)O B62970 [2,0,0,0,0,0|0,0,2]=4 428 B4R0.1 C#C[C@H](C)O B40212 [2,0,0,0,0,0|0,0,2]=4 429 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,0]=3 431 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|2,0,0]=4 434 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|1,0,0]=3 435 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,0,0]=3 436 B4R0.1 C[C@H](Br)CN B39885 [2,0,0,0,0,0|2,0,0]=4 437 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|2,0,0]=4 438 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|2,0,0]=4 439 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|2,0,0]=4 440 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|2,0,0]=4 441 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|2,0,0]=4 442 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,0,0]=3 443 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,0]=3 444 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 445 B4R0.2 C#CCCO B26554 [2,0,0,0,0,0|0,0,2]=4 446 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|0,0,2]=4 447 B4R0.2 CC#CCO H64582 [2,0,0,0,0,0|0,0,2]=4 448 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 449 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 450 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|2,0,0]=4 452 B4R0.2 COCCI K39881 [2,0,0,0,0,0|2,0,0]=4 453 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 456 B4R0.2 N#CCCO H67414 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,0]=3 459 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,0]=3 461 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|1,0,0]=3 462 B6R0.2 CC(C)CB(O)O M4460 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.2 CC(C)C[C@H](C)N M43511 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.2 CC(C)NC(C)C D64760 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,1]=4 466 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|1,0,1]=4 468 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,1,0,0,0,0|0,0,0]=2 469 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|1,0,1]=4 471 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,1,0,0,0,0|0,0,0]=2 473 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,1,0,0,0,0|2,0,0]=4 474 B6R0.3 CC(C)[C@H](N)CO V40442 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.3 CC[C@H](C)B(O)O B39967 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.3 COC(=O)[C@H](C)O M69777 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [1,1,0,0,0,0|1,0,0]=3 483 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [1,1,0,0,0,0|1,0,0]=3 484 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|0,0,2]=4 485 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|1,0,0]=3 486 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.4 CN(C)CCCBr B40430 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.4 CN(C)CCCCl C69241 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.4 CNCCN(C)C T41392 [1,1,0,0,0,0|2,0,0]=4 492 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|1,0,1]=4 493 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.5 C=CCC(C)(C)O M8263 [1,1,0,0,0,0|0,0,2]=4 496 B6R0.5 CC(C)(C)CCBr B41571 [1,1,0,0,0,0|2,0,0]=4 497 B6R0.5 CC(C)(F)CCN F62077 [1,1,0,0,0,0|2,0,0]=4 498 B6R0.5 CC(C)(N)CCN M37075 [1,1,0,0,0,0|2,0,0]=4 499 B6R0.5 CC(C)(N)CCO A40444 [1,1,0,0,0,0|2,0,0]=4 500 B6R0.5 CC(C)(O)CCN A61563 [1,1,0,0,0,0|1,0,0]=3 501 B6R0.5 CCC[N+](C)(C)C T43586 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.5 CNCC(C)(C)O M40445 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.5 COCC(C)(C)O M40434 [1,1,0,0,0,0|1,0,0]=3 504 B6R0.6 BrCCNCCBr B28721 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.6 C#CCCCCI K43321 [1,1,0,0,0,0|0,0,2]=4 506 B6R0.6 C#CCCCCO H41456 [1,1,0,0,0,0|0,0,2]=4 507 B6R0.6 C=CCCCCBr B9212 [1,1,0,0,0,0|0,0,2]=4 508 B6R0.6 C=CCCCCO H41549 [1,1,0,0,0,0|0,0,2]=4 509 B6R0.6 C=CCCCC[Mg+] H5025 [1,1,0,0,0,0|0,0,2]=4 510 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|0,0,2]=4 511 B6R0.6 CCCCCC[Mg+] H31703 [1,1,0,0,0,0|0,0,0]=2 512 B6R0.6 CCCCCNC M41618 [1,1,0,0,0,0|0,0,0]=2 513 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,1,0,0,0,0|2,0,0]=4 514 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|0,0,2]=4 515 B6R0.6 CCOCCC#N E41255 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.6 CNCCCCBr B40429 [1,1,0,0,0,0|1,0,0]=3 517 B6R0.6 CNCCCCO M38840 [1,1,0,0,0,0|1,0,0]=3 518 B6R0.6 COCCCCBr B40422 [1,1,0,0,0,0|1,0,0]=3 519 B6R0.6 ClCCCCCBr B39164 [1,1,0,0,0,0|1,0,0]=3 520 B6R0.6 ClCCNCCCl B69332 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.6 FCCCCCBr B37978 [1,1,0,0,0,0|1,0,0]=3 522 B6R0.6 ICCCCCI D24633 [1,1,0,0,0,0|1,0,0]=3 523 B6R0.6 N#CCCCCBr B41217 [1,1,0,0,0,0|1,0,1]=4 524 B6R0.6 N#CCCCCCl C69554 [1,1,0,0,0,0|1,0,1]=4 525 B6R0.6 N#CCCCCN A6983 [1,1,0,0,0,0|1,0,1]=4 526 B6R0.6 NCCNCCO A68374 [1,1,0,0,0,0|2,0,0]=4 527 B6R0.6 NCCOCCN X39968 [1,1,0,0,0,0|2,0,0]=4 528 B6R0.6 NCCOCCN X40357 [1,1,0,0,0,0|2,0,0]=4 529 B6R0.6 O=CCCCCCl C41277 [1,1,0,0,0,0|1,0,1]=4 530 B6R0.6 O=CCCCCO H32202 [1,1,0,0,0,0|1,0,1]=4 531 B6R0.6 OCCOCCCl C60784 [1,1,0,0,0,0|2,0,0]=4 532 B6R0.6 OCCOCCO D43939 [1,1,0,0,0,0|2,0,0]=4 533 B6R0.9 CCC(CC)C[Mg+] E31704 [1,1,0,0,0,0|1,0,0]=3 534 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.9 COC(CBr)OC B25077 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.9 COC(CN)OC D39146 [1,1,0,0,0,0|2,0,0]=4 537 B6R0.9 OCC(CO)CO H36774 [1,1,0,0,0,0|2,0,0]=4 538 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|1,0,1]=4 539 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,2,0,0,0,0|0,0,2]=4 540 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,2,0,0,0,0|0,0,2]=4 541 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,2,0,0,0,0|0,0,2]=4 542 B8R0.16 COC(CC(C)=O)OC D39203 [0,2,0,0,0,0|1,0,1]=4 543 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,2,0,0,0,0|0,0,2]=4 544 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|1,0,1]=4 545 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,2,0,0,0,0|1,0,1]=4 546 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,2,0,0,0,0|1,0,1]=4 547 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,2,0,0,0,0|1,0,1]=4 548 B8R0.24 C[N+](C)(C)C[C@@H](O)CCl C63901 [0,2,0,0,0,0|2,0,0]=4 549 B8R0.24 C[N+](C)(C)C[C@H](O)CCl C60647 [0,2,0,0,0,0|2,0,0]=4 550 B8R0.24 C[N+](C)(C)C[C@H](O)CCl C63900 [0,2,0,0,0,0|2,0,0]=4 551 B8R0.1 CCCC[C@H](N)CCO A62132 [0,2,0,0,0,0|1,0,0]=3 552 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|0,0,2]=4 553 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|0,0,2]=4 554 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|0,0,2]=4 555 B8R0.1 CCOC(=O)CCNC E41584 [0,2,0,0,0,0|0,0,2]=4 556 B8R0.1 CCOC(=O)CCSC E39202 [0,2,0,0,0,0|0,0,2]=4 557 B8R0.1 CCOCC(=O)OCC E41554 [0,2,0,0,0,0|0,0,2]=4 558 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,1]=4 559 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,1]=4 560 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|0,0,2]=4 561 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|0,0,2]=4 562 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,2,0,0,0,0|0,0,0]=2 563 B8R0.6 NCCCC[C@H](N)CO D43570 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|0,0,2]=4 565 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,2,0,0,0,0|1,0,1]=4 566 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,2,0,0,0,0|1,0,0]=3 567 B8R0.11 CCCC[C@H](CC)CO E60781 [0,2,0,0,0,0|0,0,0]=2 568 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.11 CCN(CC)CCCCl C43946 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.11 COC(CCC#N)OC D41501 [0,2,0,0,0,0|1,0,1]=4 571 B8R0.11 COC(CCCCl)OC C41597 [0,2,0,0,0,0|1,0,0]=3 572 B8R0.25 CCS(=O)(=O)CCCO E4265 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.25 CCS(=O)(=O)CCOC E2827 [0,2,0,0,0,0|1,0,1]=4 574 B8R0.14 NCC[C@H](O)C(F)(F)F A24329 [0,2,0,0,0,0|2,0,0]=4 575 B8R0.22 C#CC(OCC)OCC D43803 [0,2,0,0,0,0|2,0,0]=4 576 B8R0.22 CCCN(C=O)CCC D43905 [0,2,0,0,0,0|1,0,1]=4 577 B8R0.22 CCOC(C#N)OCC D41500 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.22 CCOC(CBr)OCC B8051 [0,2,0,0,0,0|2,0,0]=4 579 B8R0.22 CCOC(CI)OCC D1378 [0,2,0,0,0,0|2,0,0]=4 580 B8R0.22 CCOC(CN)OCC D41622 [0,2,0,0,0,0|2,0,0]=4 581 B8R0.22 CCOC(CO)OCC D37875 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.20 COC(CO)C(Br)CO B65468 [0,2,0,0,0,0|2,0,0]=4 583 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,1,0,0|2,0,0]=4 584 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,1,0,0|2,0,0]=4 585 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|1,0,1]=4 586 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,0]=3 587 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|2,0,0]=4 588 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,0]=3 589 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,0]=3 590 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,0]=3 591 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|2,0,0]=4 592 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|2,0,0]=4 593 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,1,0,0|2,0,0]=4 594 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,1,0,0|2,0,0]=4 595 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,1,0,0|2,0,0]=4 596 B6R1.2 IC1CCCC1 I20419 [1,0,0,1,0,0|1,0,0]=3 597 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,1,0,0|2,0,0]=4 598 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,1,0,0|2,0,0]=4 599 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,1,0,0|2,0,0]=4 600 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,1,0,0|2,0,0]=4 601 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,1,0,0|2,0,0]=4 602 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,1,0,0|2,0,0]=4 603 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,1,0,0|2,0,0]=4 604 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,1,0,0|2,0,0]=4 605 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,1,0,0|2,0,0]=4 606 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,1,0,0|2,0,0]=4 607 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,1,0,0|2,0,0]=4 608 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,1,0,0|2,0,0]=4 609 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,1,0,0|2,0,0]=4 610 B6R1.2 OC1CC=CC1 C67522 [1,0,0,1,0,0|0,0,2]=4 611 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,1,0,0|1,0,0]=3 612 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,1,0,0|1,0,0]=3 613 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,0]=3 614 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,1,0,0|1,0,0]=3 615 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,1,0,0|1,0,0]=3 616 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,1,0,0|1,0,0]=3 617 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,0]=3 618 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,0]=3 619 B6R1.2 O[C@H]1CNOC1 K39924 [1,0,0,1,0,0|2,0,0]=4 620 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,1,0,0|2,0,0]=4 621 B6R1.3 CNCC1CC1 C25333 [1,0,0,1,0,0|2,0,0]=4 622 B6R1.3 ICCC1CC1 I23113 [1,0,0,1,0,0|2,0,0]=4 623 B6R1.3 NCCC1CC1 C7864 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.3 OCCC1CC1 C7861 [1,0,0,1,0,0|2,0,0]=4 625 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|0,0,2]=4 626 B6R1.5 CC1CC(N)C1 M41317 [1,0,0,1,0,0|1,0,0]=3 627 B6R1.5 CN1CC(N)C1 M0108 [1,0,0,1,0,0|2,0,0]=4 628 B6R1.5 CN1CC(O)C1 H0109 [1,0,0,1,0,0|1,0,0]=3 629 B6R1.5 NC1CC(F)C1 F0321 [1,0,0,1,0,0|2,0,0]=4 630 B6R1.5 NC1CC(N)C1 C11439 [1,0,0,1,0,0|2,0,0]=4 631 B6R1.5 NC1CC(O)C1 A0319 [1,0,0,1,0,0|1,0,0]=3 632 B6R1.5 NC1CC(O)C1 A23779 [1,0,0,1,0,0|1,0,0]=3 633 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [1,0,0,1,0,0|2,0,0]=4 634 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [1,0,0,1,0,0|2,0,0]=4 635 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [1,0,0,1,0,0|2,0,0]=4 636 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [1,0,0,1,0,0|1,0,0]=3 637 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [1,0,0,1,0,0|1,0,0]=3 638 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [1,0,0,1,0,0|2,0,0]=4 639 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [1,0,0,1,0,0|2,0,0]=4 640 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [1,0,0,1,0,0|2,0,0]=4 641 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [1,0,0,1,0,0|2,0,0]=4 642 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [1,0,0,1,0,0|1,0,0]=3 643 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [1,0,0,1,0,0|1,0,0]=3 644 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|1,0,1]=4 645 B6R1.5 OC1CC(F)C1 F13605 [1,0,0,1,0,0|1,0,0]=3 646 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [1,0,0,1,0,0|1,0,0]=3 647 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [1,0,0,1,0,0|1,0,0]=3 648 B6R1.9 CC1(C)C[C@@H]1Br B60254 [1,0,0,1,0,0|2,0,0]=4 649 B6R1.10 CC1(C)CNC1 D11454 [1,0,0,1,0,0|2,0,0]=4 650 B6R1.10 CC1(F)CNC1 F11719 [1,0,0,1,0,0|2,0,0]=4 651 B6R1.10 CC1(N)CCC1 M15665 [1,0,0,1,0,0|1,0,0]=3 652 B6R1.10 CC1(N)CCC1 M15666 [1,0,0,1,0,0|1,0,0]=3 653 B6R1.10 CC1(N)CCC1 M6467 [1,0,0,1,0,0|1,0,0]=3 654 B6R1.10 CC1(N)CNC1 A10361 [1,0,0,1,0,0|2,0,0]=4 655 B6R1.10 CC1(N)COC1 M5614 [1,0,0,1,0,0|2,0,0]=4 656 B6R1.10 CC1(N)COC1 M7167 [1,0,0,1,0,0|2,0,0]=4 657 B6R1.10 CC1(N)CSC1 M30085 [1,0,0,1,0,0|2,0,0]=4 658 B6R1.10 CC1(O)CNC1 H0307 [1,0,0,1,0,0|1,0,0]=3 659 B6R1.10 CC1(O)COC1 M6651 [1,0,0,1,0,0|1,0,0]=3 660 B6R1.10 CC1(O)CSC1 M29793 [1,0,0,1,0,0|1,0,0]=3 661 B6R1.11 C[C@@H](N)C1CC1 C61147 [1,0,0,1,0,0|1,0,0]=3 662 B6R1.11 C[C@H](N)C1CC1 C41318 [1,0,0,1,0,0|1,0,0]=3 663 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,1]=4 664 B6R1.11 OB(O)C1CC1 C2414 [1,0,0,1,0,0|2,0,0]=4 665 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,0]=3 666 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 667 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|2,0,0]=4 668 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|2,0,0]=4 669 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|2,0,0]=4 670 B6R1.1 C1CSCCN1 T17901 [1,0,0,1,0,0|2,0,0]=4 671 B6R1.4 CC1NCC1F F21597 [1,0,0,1,0,0|2,0,0]=4 672 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [1,0,0,1,0,0|2,0,0]=4 673 B6R1.6 BrCC1COC1 B19169 [1,0,0,1,0,0|2,0,0]=4 674 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|2,0,0]=4 675 B6R1.6 CNC1CNC1 M1333 [1,0,0,1,0,0|2,0,0]=4 676 B6R1.6 CNC1COC1 M5690 [1,0,0,1,0,0|2,0,0]=4 677 B6R1.6 CN[C@@H]1CCN1 A7337 [1,0,0,1,0,0|2,0,0]=4 678 B6R1.6 COC1CNC1 M0107 [1,0,0,1,0,0|2,0,0]=4 679 B6R1.6 CSC1CNC1 M0303 [1,0,0,1,0,0|2,0,0]=4 680 B6R1.6 FCC1CNC1 F21648 [1,0,0,1,0,0|2,0,0]=4 681 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|1,0,0]=3 682 B6R1.6 ICC1COC1 I6937 [1,0,0,1,0,0|2,0,0]=4 683 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|2,0,0]=4 684 B6R1.6 N#CC1CCC1 C5653 [1,0,0,1,0,0|1,0,1]=4 685 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,0]=3 686 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,0]=3 687 B6R1.6 NCC1CNC1 A13410 [1,0,0,1,0,0|2,0,0]=4 688 B6R1.6 NCC1COC1 O5691 [1,0,0,1,0,0|2,0,0]=4 689 B6R1.6 NCC1CSC1 T6978 [1,0,0,1,0,0|2,0,0]=4 690 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|2,0,0]=4 691 B6R1.6 NNC1CCC1 C37776 [1,0,0,1,0,0|2,0,0]=4 692 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|1,0,0]=3 693 B6R1.6 OCC1CNC1 A5874 [1,0,0,1,0,0|2,0,0]=4 694 B6R1.6 OCC1CNC1 H12177 [1,0,0,1,0,0|2,0,0]=4 695 B6R1.6 OCC1COC1 X6263 [1,0,0,1,0,0|2,0,0]=4 696 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|2,0,0]=4 697 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|2,0,0]=4 698 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|2,0,0]=4 699 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|2,0,0]=4 700 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|2,0,0]=4 701 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|1,0,0]=3 702 B6R1.7 CC1(CN)CC1 M41319 [1,0,0,1,0,0|2,0,0]=4 703 B6R1.7 CC1(CO)CC1 M29792 [1,0,0,1,0,0|2,0,0]=4 704 B6R1.7 CCC1(N)CC1 E29724 [1,0,0,1,0,0|1,0,0]=3 705 B6R1.7 NC1(CO)CC1 A1400 [1,0,0,1,0,0|2,0,0]=4 706 B6R1.7 NC1(CO)CC1 A16823 [1,0,0,1,0,0|2,0,0]=4 707 B6R1.7 NCC1(F)CC1 F60284 [1,0,0,1,0,0|2,0,0]=4 708 B6R1.7 NCC1(O)CC1 A13658 [1,0,0,1,0,0|1,0,0]=3 709 B8R1.1 CCN1CC[C@@H](N)C1 E29600 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.1 CCN1CC[C@H](Cl)C1 C41542 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.1 CCN1CC[C@H](N)C1 E29616 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,1,0,1,0,0|0,0,0]=2 713 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.1 CN[C@@H]1CCN(C)C1 D25425 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.1 CN[C@H]1CCN(C)C1 D1341 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.1 CN[C@H]1CCN(C)C1 D25424 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.1 CN[C@H]1CCN(C)C1 T24682 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|1,0,1]=4 724 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|1,0,1]=4 727 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,1,0,0|0,0,0]=2 732 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|0,0,0]=2 733 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.4 CC1CNCC(C)N1 D4711 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|0,0,2]=4 736 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,1,0,0|0,0,0]=2 739 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,1,0,0|0,0,0]=2 743 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,1,0,0|0,0,0]=2 744 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|0,0,2]=4 745 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|0,0,2]=4 746 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,1,0,0|0,0,0]=2 753 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|0,0,2]=4 754 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|0,0,2]=4 755 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|0,0,2]=4 756 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|0,0,2]=4 757 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|0,0,2]=4 758 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|0,0,2]=4 759 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|0,0,2]=4 760 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,1,0,0|0,0,0]=2 769 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,1,0,0|0,0,0]=2 770 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,1,0,0|0,0,0]=2 771 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,1,0,0|0,0,0]=2 772 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,1,0,0|0,0,0]=2 773 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,1,0,0|0,0,0]=2 774 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,1,0,0|0,0,0]=2 775 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,1,0,0|0,0,0]=2 777 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|1,0,1]=4 779 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|1,0,1]=4 780 B8R1.31 CC(C)C1OCC1N P60232 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.51 CC1(C)C[C@H](O)CN1 D60304 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.51 N[C@@H]1CCC(F)(F)C1 D11726 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.51 N[C@H]1CCC(F)(F)C1 D11724 [0,1,0,1,0,0|2,0,0]=4 785 B8R1.51 N[C@H]1CCC(F)(F)C1 D7892 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.51 O[C@@H]1CCC(F)(F)C1 D59655 [0,1,0,1,0,0|1,0,0]=3 787 B8R1.51 O[C@H]1CCC(F)(F)C1 D26064 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.51 O[C@H]1CCC(F)(F)C1 D59656 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.53 CC1(C)CC(CBr)C1 B13466 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.53 CC1(C)CC(CN)C1 D13464 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.53 CC1(C)CC(CO)C1 D13465 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.53 CC1(C)C[C@H](CBr)O1 B8433 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.53 CC1(C)C[C@H](CN)O1 D8432 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.53 CC1(C)C[C@H](CO)O1 D1980 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.53 CC1(O)CC(CN)C1 H14859 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 H27658 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H11685 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H31870 [0,1,0,1,0,0|2,0,0]=4 799 B8R1.62 NC1(CO)CC(F)C1 A14415 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.62 NC1(CO)CC(F)C1 A27637 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.2 C#CC1CCNCC1 E24220 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.2 C#CC1CCOCC1 E0568 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,1,0,1,0,0|0,0,2]=4 810 B8R1.2 CCC1COCCN1 O5554 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.2 CCN1CCNCC1 E13368 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,1,0,1,0,0|1,0,0]=3 813 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,1,0,1,0,0|1,0,0]=3 817 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,1,0,0|2,0,0]=4 821 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.2 COC1CCNCC1 M0482 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.2 COC1CCNCC1 M1164 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.2 N#CC1CCCCC1 C69224 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.2 N#CC1CCCCN1 P20239 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.2 N#CC1CCNCC1 C10273 [0,1,0,1,0,0|2,0,0]=4 839 B8R1.2 N#CC1CCOCC1 C1508 [0,1,0,1,0,0|2,0,0]=4 840 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,1,0,1,0,0|1,0,1]=4 845 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,1,0,0|2,0,0]=4 855 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,1,0,1,0,0|1,0,0]=3 858 B8R1.2 NC[C@H]1COCCO1 D11965 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.2 NC[C@H]1COCCO1 D15491 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.2 NNC1CCCCC1 C43508 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.2 NNC1CCOCC1 T12041 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.2 NNC1CCOCC1 T64234 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,1,0,0|1,0,1]=4 865 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,1,0,0|1,0,1]=4 866 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|1,0,1]=4 867 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,1,0,0|0,0,2]=4 871 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,1,0,1,0,0|1,0,0]=3 877 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,1,0,1,0,0|2,0,0]=4 879 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,1,0,1,0,0|2,0,0]=4 887 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,1,0,1,0,0|2,0,0]=4 888 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,1,0,1,0,0|1,0,0]=3 889 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,1,0,1,0,0|1,0,0]=3 890 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,1,0,1,0,0|1,0,0]=3 891 B8R1.2 OC[C@H]1COCCN1 M41332 [0,1,0,1,0,0|2,0,0]=4 892 B8R1.2 OC[C@H]1COCCN1 M61069 [0,1,0,1,0,0|2,0,0]=4 893 B8R1.2 OC[C@H]1COCCN1 M61885 [0,1,0,1,0,0|2,0,0]=4 894 B8R1.2 OC[C@H]1COCCO1 D23561 [0,1,0,1,0,0|1,0,0]=3 895 B8R1.2 OC[C@H]1COCCO1 D40389 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.2 ON=C1CCOCC1 T0658 [0,1,0,1,0,0|1,0,1]=4 897 B8R1.2 ON=C1CCSCC1 T6161 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,1,0,0|0,0,0]=2 899 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|0,0,2]=4 901 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,1,0,0|0,0,0]=2 902 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,1,0,0|0,0,2]=4 903 B8R1.3 CN1CCC(Cl)CC1 C68578 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.3 CN1CCC(N)CC1 A7503 [0,1,0,1,0,0|1,0,0]=3 905 B8R1.3 CN1CCC(O)CC1 H12302 [0,1,0,1,0,0|0,0,0]=2 906 B8R1.3 CN1CCC([Mg+])CC1 M8352 [0,1,0,1,0,0|1,0,0]=3 907 B8R1.3 CN1CCC([Zn+])CC1 M7236 [0,1,0,1,0,0|1,0,0]=3 908 B8R1.3 CN1CCN(N)CC1 M62380 [0,1,0,1,0,0|2,0,0]=4 909 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,1,0,0|0,0,0]=2 910 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,1,0,0|2,0,0]=4 911 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|0,0,2]=4 912 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|0,0,2]=4 920 B8R1.3 NC1CCC(Br)CC1 B41541 [0,1,0,1,0,0|1,0,0]=3 921 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,1,0,0|0,0,0]=2 922 B8R1.3 NN1CCC(O)CC1 A61614 [0,1,0,1,0,0|1,0,0]=3 923 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,1,0,0|0,0,0]=2 924 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,1,0,0|0,0,0]=2 925 B8R1.3 N[C@H]1CC[C@H](N)CC1 C67917 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,1,0,0|0,0,0]=2 927 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|0,0,1]=3 928 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|1,0,1]=4 929 B8R1.3 OC1COC(O)CO1 D2034 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.3 OC1CSC(O)CS1 D69077 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,1,0,0|0,0,0]=2 932 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,1,0,0|0,0,0]=2 933 B8R1.5 CC1CCNCC1O H11697 [0,1,0,1,0,0|0,0,0]=2 934 B8R1.5 CC1CCNCC1O H11698 [0,1,0,1,0,0|0,0,0]=2 935 B8R1.5 CC1CNCCC1O M17031 [0,1,0,1,0,0|0,0,0]=2 936 B8R1.5 CC1CNCCC1O M41575 [0,1,0,1,0,0|0,0,0]=2 937 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,1,0,0|0,0,0]=2 939 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,1,0,0|0,0,0]=2 940 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,1,0,0|0,0,0]=2 941 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,1,0,0|0,0,0]=2 943 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,1,0,1,0,0|1,0,0]=3 944 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,1,0,1,0,0|1,0,0]=3 945 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|0,0,2]=4 947 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|0,0,2]=4 948 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|0,0,2]=4 949 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,1,0,0|0,0,0]=2 950 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|0,0,2]=4 951 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|0,0,2]=4 952 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|0,0,2]=4 956 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,1,0,1,0,0|1,0,0]=3 957 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,1,0,1,0,0|1,0,0]=3 958 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.5 NC1COCCC1O A7869 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,1,0,1,0,0|1,0,0]=3 962 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,1,0,0|0,0,0]=2 964 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,1,0,0|0,0,0]=2 965 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,1,0,1,0,0|2,0,0]=4 967 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,1,0,0|1,0,0]=3 969 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,1,0,0|1,0,0]=3 972 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,1,0,0|1,0,0]=3 975 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|0,0,2]=4 976 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,1,0,1,0,0|1,0,0]=3 977 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,1,0,0|0,0,0]=2 978 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,1,0,0|0,0,0]=2 979 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,1,0,1,0,0|1,0,0]=3 980 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,1,0,0|0,0,0]=2 981 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,1,0,0|0,0,0]=2 982 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,1,0,1,0,0|2,0,0]=4 983 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,1,0,1,0,0|2,0,0]=4 984 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,1,0,0|1,0,0]=3 985 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,1,0,0|1,0,0]=3 986 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,1,0,0|1,0,0]=3 987 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,1,0,0|1,0,0]=3 988 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|1,0,1]=4 990 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,1,0,0|0,0,0]=2 991 B8R1.5 OC1CCNCC1F F32301 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.5 OC1CCOCC1F F20039 [0,1,0,1,0,0|1,0,0]=3 993 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,1,0,1,0,0|1,0,0]=3 994 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,1,0,0|1,0,0]=3 995 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,1,0,1,0,0|1,0,0]=3 996 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,1,0,0|0,0,0]=2 998 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,1,0,1,0,0|1,0,0]=3 1000 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,1,0,1,0,0|1,0,0]=3 1001 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,1,0,0|1,0,0]=3 1005 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,1,0,0|1,0,0]=3 1006 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [0,1,0,1,0,0|1,0,0]=3 1007 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.22 CN1CCCNCC1 M1344 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,1,0,1,0,0|2,0,0]=4 1010 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,1,0,1,0,0|1,0,0]=3 1012 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,1,0,1,0,0|1,0,0]=3 1013 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|0,0,2]=4 1014 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,1,0,1,0,0|0,0,0]=2 1015 B8R1.38 CC(CO)C1CCO1 X60289 [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.47 COC1CC(CN)C1 M0852 [0,1,0,1,0,0|2,0,0]=4 1017 B8R1.47 CO[C@H]1C[C@H](CN)C1 M60412 [0,1,0,1,0,0|2,0,0]=4 1018 B8R1.52 C#C[C@]1(O)CCOC1 E15001 [0,1,0,1,0,0|0,0,2]=4 1019 B8R1.52 CC1(CBr)OCCO1 B5418 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.52 CC1(CN)OCCO1 M40413 [0,1,0,1,0,0|2,0,0]=4 1021 B8R1.52 CC1(CO)OCCO1 M37741 [0,1,0,1,0,0|2,0,0]=4 1022 B8R1.52 CC[N+]1(C)CCCC1 E46620 [0,1,0,1,0,0|2,0,0]=4 1023 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,1,0,0|2,0,0]=4 1024 B8R1.52 C[C@]1(CBr)CCOC1 B13265 [0,1,0,1,0,0|2,0,0]=4 1025 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,1,0,1,0,0|1,0,0]=3 1026 B8R1.52 C[C@]1(CN)CCNC1 M1124 [0,1,0,1,0,0|2,0,0]=4 1027 B8R1.52 C[C@]1(CN)CCOC1 A11774 [0,1,0,1,0,0|2,0,0]=4 1028 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,1,0,0|2,0,0]=4 1029 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,1,0,1,0,0|2,0,0]=4 1030 B8R1.52 NCC1(F)CCCC1 F60053 [0,1,0,1,0,0|2,0,0]=4 1031 B8R1.52 NCC1(O)CCCC1 A1151 [0,1,0,1,0,0|1,0,0]=3 1032 B8R1.52 NCC1(O)CCCC1 A43483 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [0,1,0,1,0,0|2,0,0]=4 1034 B8R1.52 OC[C@]1(O)CCNC1 H14632 [0,1,0,1,0,0|1,0,0]=3 1035 B8R1.52 OC[C@]1(O)CCNC1 H31243 [0,1,0,1,0,0|1,0,0]=3 1036 B8R1.52 O[C@@]1(CF)CCNC1 F27103 [0,1,0,1,0,0|1,0,0]=3 1037 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|1,0,1]=4 1038 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,1,0,1,0,0|1,0,0]=3 1039 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,1,0,1,0,0|1,0,0]=3 1040 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,1,0,0|2,0,0]=4 1041 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [0,1,0,1,0,0|2,0,0]=4 1043 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [0,1,0,1,0,0|2,0,0]=4 1044 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,1,0,0|1,0,1]=4 1045 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,1]=4 1046 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,1]=4 1047 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,1]=4 1048 B8R1.19 C[C@H]1CNCC1(F)F D29727 [0,1,0,1,0,0|2,0,0]=4 1049 B8R1.19 O[C@@H]1CNCC1(F)F D59712 [0,1,0,1,0,0|2,0,0]=4 1050 B8R1.19 O[C@H]1CNCC1(F)F D21280 [0,1,0,1,0,0|2,0,0]=4 1051 B8R1.24 CC1(C)[C@@H](N)C[C@H]1O A19769 [0,1,0,1,0,0|1,0,0]=3 1052 B8R1.37 CCOC(=O)C1CC1 E41463 [0,1,0,1,0,0|0,0,2]=4 1053 B8R1.6 CCNC1CN(C)C1 A19743 [0,1,0,1,0,0|2,0,0]=4 1054 B8R1.6 CCOC1CC(N)C1 E15188 [0,1,0,1,0,0|2,0,0]=4 1055 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [0,1,0,1,0,0|2,0,0]=4 1056 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [0,1,0,1,0,0|2,0,0]=4 1057 B8R1.6 CN1CC(CCO)C1 M7516 [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.8 BrCCC1OCCO1 B41267 [0,1,0,1,0,0|1,0,0]=3 1059 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,1,0,1,0,0|2,0,0]=4 1061 B8R1.8 CNC[C@H]1CCOC1 M1347 [0,1,0,1,0,0|1,0,0]=3 1062 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,1,0,1,0,0|1,0,0]=3 1063 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,1,0,1,0,0|2,0,0]=4 1065 B8R1.8 COC[C@H]1CCCN1 M14242 [0,1,0,1,0,0|1,0,0]=3 1066 B8R1.8 COC[C@H]1CCNC1 M14793 [0,1,0,1,0,0|2,0,0]=4 1067 B8R1.8 COC[C@H]1CCNC1 M26667 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.8 COC[C@H]1CCNC1 M41581 [0,1,0,1,0,0|2,0,0]=4 1069 B8R1.8 ClCCN1CCCC1 C41544 [0,1,0,1,0,0|2,0,0]=4 1070 B8R1.8 NCCC1CCCC1 C46503 [0,1,0,1,0,0|1,0,0]=3 1071 B8R1.8 NCCN1CCCC1 P41605 [0,1,0,1,0,0|2,0,0]=4 1072 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,1,0,0|0,0,0]=2 1073 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,1,0,1,0,0|1,0,0]=3 1074 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,1,0,1,0,0|2,0,0]=4 1075 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|0,0,1]=3 1076 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,1,0,1,0,0|2,0,0]=4 1077 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,1,0,0|1,0,0]=3 1078 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,1,0,0|1,0,0]=3 1079 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.11 CN1CCC[C@H]1CN M0297 [0,1,0,1,0,0|2,0,0]=4 1081 B8R1.11 CN1CCC[C@H]1CN M43564 [0,1,0,1,0,0|2,0,0]=4 1082 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,1,0,0|1,0,0]=3 1083 B8R1.11 CO[C@@H]1CNC[C@@H]1O M23798 [0,1,0,1,0,0|1,0,0]=3 1084 B8R1.11 CO[C@@H]1CNC[C@H]1F F11644 [0,1,0,1,0,0|2,0,0]=4 1085 B8R1.11 CO[C@@H]1CNC[C@H]1O M11642 [0,1,0,1,0,0|1,0,0]=3 1086 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,1,0,0|1,0,0]=3 1087 B8R1.11 CO[C@H]1CNC[C@H]1O M59760 [0,1,0,1,0,0|1,0,0]=3 1088 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,1,0,1,0,0|1,0,0]=3 1089 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,1,0,1,0,0|1,0,0]=3 1090 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,1,0,1,0,0|1,0,1]=4 1091 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,1,0,1,0,0|1,0,1]=4 1092 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,1,0,1,0,0|1,0,0]=3 1093 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,1,0,1,0,0|1,0,0]=3 1094 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|0,0,2]=4 1095 B8R1.66 C#CCC1(O)COC1 P6672 [0,1,0,1,0,0|0,0,2]=4 1096 B8R1.66 CNCC1(C)COC1 M1365 [0,1,0,1,0,0|2,0,0]=4 1097 B8R1.66 CNCC1(F)COC1 F8482 [0,1,0,1,0,0|2,0,0]=4 1098 B8R1.66 COCC1(F)CNC1 F31253 [0,1,0,1,0,0|2,0,0]=4 1099 B8R1.66 NC1(CCO)CCC1 A61672 [0,1,0,1,0,0|1,0,0]=3 1100 B8R1.66 NC1(CCO)COC1 A15387 [0,1,0,1,0,0|2,0,0]=4 1101 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,1,0,1,0,0|1,0,1]=4 1102 B8R1.48 NC[C@H]1CCC1(F)F D59993 [0,1,0,1,0,0|2,0,0]=4 1103 B8R1.48 OC[C@H]1CCC1(F)F D10662 [0,1,0,1,0,0|2,0,0]=4 1104 B8R1.72 CC1(C)CCNCC1 D0628 [0,1,0,1,0,0|2,0,0]=4 1105 B8R1.72 CC1(F)CCNCC1 F43473 [0,1,0,1,0,0|2,0,0]=4 1106 B8R1.72 CC1(N)CCOCC1 M10391 [0,1,0,1,0,0|2,0,0]=4 1107 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,1,0,0|0,0,0]=2 1108 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,1,0,0|1,0,0]=3 1109 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,1,0,0|1,0,0]=3 1110 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,1,0,0|1,0,0]=3 1111 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,1,0,0|1,0,0]=3 1112 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,1,0,0|1,0,0]=3 1113 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,1,0,0|1,0,0]=3 1114 B8R1.72 FC1(F)CCCNC1 D36815 [0,1,0,1,0,0|2,0,0]=4 1115 B8R1.72 FC1(F)CCCNC1 D7460 [0,1,0,1,0,0|2,0,0]=4 1116 B8R1.72 FC1(F)CCNCC1 D41254 [0,1,0,1,0,0|2,0,0]=4 1117 B8R1.72 FC1(F)CCNCC1 D6081 [0,1,0,1,0,0|2,0,0]=4 1118 B8R1.72 OC1(O)CCNCC1 P0354 [0,1,0,1,0,0|1,0,0]=3 1119 B8R1.82 N#CCC1(CO)CC1 H61678 [0,1,0,1,0,0|1,0,1]=4 1120 B8R1.60 C#CC1(CC)COC1 E8501 [0,1,0,1,0,0|2,0,0]=4 1121 B8R1.60 CCC1(C#N)CNC1 E64014 [0,1,0,1,0,0|2,0,0]=4 1122 B8R1.60 CCC1(C#N)COC1 E8306 [0,1,0,1,0,0|2,0,0]=4 1123 B8R1.60 CCC1(C=O)COC1 E8388 [0,1,0,1,0,0|1,0,1]=4 1124 B8R1.60 CCC1(CN)COC1 E8385 [0,1,0,1,0,0|2,0,0]=4 1125 B8R1.60 CCC1(CO)COC1 E29798 [0,1,0,1,0,0|1,0,0]=3 1126 B8R1.60 CNC1(CO)COC1 M8589 [0,1,0,1,0,0|2,0,0]=4 1127 B8R1.60 COC1(CN)CCC1 M15213 [0,1,0,1,0,0|1,0,0]=3 1128 B8R1.60 COC1(CO)COC1 M60398 [0,1,0,1,0,0|2,0,0]=4 1129 B8R1.60 COC1(OC)COC1 D6643 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.60 ICC1(CI)CCC1 B6243 [0,1,0,1,0,0|2,0,0]=4 1131 B8R1.60 NCC1(CN)CCC1 C23438 [0,1,0,1,0,0|2,0,0]=4 1132 B8R1.60 NCC1(CO)CCC1 A1325 [0,1,0,1,0,0|1,0,0]=3 1133 B8R1.60 NCC1(CO)COC1 A20241 [0,1,0,1,0,0|2,0,0]=4 1134 B8R1.60 NCC1(CO)COC1 A30149 [0,1,0,1,0,0|2,0,0]=4 1135 B8R1.60 OCC1(CBr)COC1 B5888 [0,1,0,1,0,0|2,0,0]=4 1136 B8R1.60 OCC1(CCl)COC1 C6354 [0,1,0,1,0,0|2,0,0]=4 1137 B8R1.60 OCC1(CF)COC1 F60204 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.60 OCC1(CO)CCC1 C6242 [0,1,0,1,0,0|1,0,0]=3 1139 B8R1.60 OCC1(CO)CNC1 H16015 [0,1,0,1,0,0|2,0,0]=4 1140 B8R1.60 OCC1(CO)COC1 X6219 [0,1,0,1,0,0|2,0,0]=4 1141 B8R2.11 NC1C2COCC12 X38891 [0,0,0,2,0,0|2,0,0]=4 1142 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 A13626 [0,0,0,2,0,0|2,0,0]=4 1143 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,0,0,2,0,0|1,0,0]=3 1144 B8R2.22 C1CC2CNCC12 A11809 [0,0,0,2,0,0|2,0,0]=4 1145 B8R2.22 C1CC2CNCC12 A15175 [0,0,0,2,0,0|2,0,0]=4 1146 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,2,0,0|1,0,0]=3 1147 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,2,0,0|1,0,0]=3 1148 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,2,0,0|1,0,0]=3 1149 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,2,0,0|1,0,0]=3 1150 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,2,0,0|1,0,0]=3 1151 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,2,0,0|1,0,0]=3 1152 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,2,0,0|1,0,0]=3 1153 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,2,0,0|1,0,0]=3 1154 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,2,0,0|1,0,0]=3 1155 B8R2.55 C1CC2(CC2)CN1 A8605 [0,0,0,2,0,0|2,0,0]=4 1156 B8R2.55 C1CNC2(C1)CC2 A8604 [0,0,0,2,0,0|1,0,0]=3 1157 B8R2.18 NC1CC2CC2C1 B11091 [0,0,0,2,0,0|1,0,0]=3 1158 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|0,0,2]=4 1159 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,2,0,0|2,0,0]=4 1160 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,2,0,0|1,0,0]=3 1161 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,2,0,0|1,0,0]=3 1162 B8R2.23 C1OCC2CC1N2 X30108 [0,0,0,2,0,0|2,0,0]=4 1163 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,2,0,0|1,0,0]=3 1164 B8R2.42 C1CC2(C1)CCN2 A8603 [0,0,0,2,0,0|1,0,0]=3 1165 B8R2.42 C1CC2(C1)CNC2 A12363 [0,0,0,2,0,0|2,0,0]=4 1166 B8R2.42 C1CC2(C1)CNC2 A6059 [0,0,0,2,0,0|2,0,0]=4 1167 B8R2.42 C1CC2(CNC2)O1 X29629 [0,0,0,2,0,0|1,0,0]=3 1168 B8R2.42 C1CC2(CNC2)O1 X7168 [0,0,0,2,0,0|1,0,0]=3 1169 B8R2.42 C1CC2(COC2)N1 O5945 [0,0,0,2,0,0|2,0,0]=4 1170 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|0,0,2]=4 1171 B8R2.31 OCC12CC(C1)C2 B22452 [0,0,0,2,0,0|2,0,0]=4