0 B6R0.9 CCC(CC)C[Mg+] E31704 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.9 CCN(C=O)CC D68184 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.9 COC(C=O)OC D38564 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.9 COC(CBr)OC B25077 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.9 COC(CN)OC D39146 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.9 OCC(CO)CO H36774 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 C=C(CBr)CBr B36829 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 C=C(CCl)CCl C10867 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 C=C(CO)CO M5145 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 C=C[C@H](C)ON B40346 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 C=C[C@H](N)CO A40343 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 CC(CBr)CBr D40238 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.3 CCC(=O)CN A32390 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CNC(=O)CBr B60913 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CNC(=O)CCl C67921 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 COC(=O)CN M69126 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 COC(=O)CO M67586 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.3 NCC(O)CN D38498 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.3 NC[C@@H](O)CCl A39888 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 NC[C@@H](O)CO A67523 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 NC[C@H](Br)CBr D9273 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.3 NC[C@H](O)CCl A36622 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 NC[C@H](O)CCl A39887 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 NC[C@H](O)CF A28629 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 NC[C@H](O)CO A38562 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 NC[C@H](O)CO A67451 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 O=C(CCl)CCl D4849 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 O=CC(Br)C=O B2627 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.3 OC[C@@H](O)CCl C69122 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 OC[C@@H](O)CF F60905 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 OC[C@H](O)CCl C68371 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.3 OC[C@H](O)CF F60904 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.12 COC(CCBr)OC B40419 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.12 COCC(OC)OC T40436 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,1,0,0,0,0|0,0,2]=3 48 B7R0.15 COC(OC)[C@H](C)Br B4889 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.15 O=C(O)C(CS)CS M67176 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.18 CCC(Br)(CC)CC B43899 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.18 CC[N+](C)(CC)CC D46614 [0,1,0,0,0,0|2,0,1]=4 53 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,0,0,1,0,0|1,0,2]=4 57 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,1,0,0|1,0,1]=3 59 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,1,0,0|1,0,1]=3 60 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.1 CN[C@H]1CCOC1 M1156 [0,0,0,1,0,0|1,0,2]=4 62 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.1 IC[C@H]1CCOC1 I12451 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.1 NCC1CCCC1 C5395 [0,0,0,1,0,0|1,0,1]=3 84 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.1 NC[C@H]1CCOC1 T10324 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.1 NC[C@H]1CCOC1 T1153 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.1 NC[C@H]1CCOC1 T1674 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.1 NC[C@H]1CCOC1 T7262 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.1 NNC1CCCC1 C22580 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.1 O=CC1=CCCC1 C69466 [0,0,0,1,0,0|0,0,2]=3 95 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,1,0,0|0,0,0]=1 96 B7R1.1 OCC1CCCC1 C23297 [0,0,0,1,0,0|0,0,2]=3 97 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,1,0,0|1,0,2]=4 111 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,1,0,0|1,0,2]=4 114 B7R1.8 CN1CC[C@@H]1CN A14392 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.8 CN1CC[C@@H]1CN A14394 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.8 CN1CC[C@H]1CN A14393 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.8 NCC1CCC1F F59751 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.8 OCC1CCC1F F60214 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.29 BrCC1(CBr)CC1 B38356 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.29 C#CC1(CC)CC1 E60068 [0,0,0,1,0,0|1,0,1]=3 123 B7R1.29 C#CC1(CO)CC1 E60229 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.29 N#CC1(CN)CC1 A41360 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.29 N#CC1(CO)CC1 H41165 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.29 OCC1(CO)CC1 B3821 [0,0,0,1,0,0|1,0,2]=4 127 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 CC(C)NN P67395 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.1 CC(C)ON P39935 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.1 C[C@H](Br)CN B39885 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.2 COCCI K39881 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|0,0,2]=4 165 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.1 CNC[C@H](O)CO M37886 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.1 CO[C@@H](C)CCO M68623 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,1,0,0,0,0|0,0,2]=4 178 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 CC(C)[C@H](N)CO V40442 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.3 CCC(=O)N(C)C D67412 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.3 CCN(C)C(=O)Cl E40250 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|0,0,0]=2 185 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.3 CC[C@H](C)B(O)O B39967 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.3 COC(=O)[C@H](C)N A68085 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.3 COC(=O)[C@H](C)N M68343 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.3 COC(=O)[C@H](C)O M69777 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.3 NC(=O)[C@H](N)CO A39930 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.8 C#C[C@@](C)(N)CC M43435 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.8 CCS(=O)(=O)OC M39889 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.8 CC[C@](C)(N)C#N A40368 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.8 O=CC(Br)(Br)CBr T32084 [1,1,0,0,0,0|2,0,0]=4 222 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.11 CCCC[C@H](CC)CO E60781 [0,2,0,0,0,0|0,0,2]=4 224 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.16 COC(CC(C)=O)OC D39203 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.20 COC(=O)C(CN)CN M41391 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.20 COC(=O)C(OC)OC M40396 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.22 C#CC(OCC)OCC D43803 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.22 CCCN(C=O)CCC D43905 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.22 CCOC(C#N)OCC D41500 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.22 CCOC(CBr)OCC B8051 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.22 CCOC(CI)OCC D1378 [0,2,0,0,0,0|1,0,1]=4 234 B8R0.22 CCOC(CN)OCC D41622 [0,2,0,0,0,0|1,0,1]=4 235 B8R0.22 CCOC(CO)OCC D37875 [0,2,0,0,0,0|0,0,2]=4 236 B8R0.18 CC(C)N(C=O)C(C)C D43907 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.36 CCC(N)(CC)C(=O)O A67712 [0,2,0,0,0,0|0,0,0]=2 242 B8R0.36 COC(C)(OC)C(C)=O D41555 [0,2,0,0,0,0|2,0,0]=4 243 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,1,0,0|2,0,0]=4 245 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,1]=4 246 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|1,0,1]=4 247 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,1]=4 248 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,1]=4 249 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,1]=4 250 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|1,0,1]=4 251 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|1,0,1]=4 252 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 IC1CCCC1 I20419 [1,0,0,1,0,0|1,0,0]=3 256 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,1,0,0|2,0,0]=4 257 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,1,0,0|2,0,0]=4 258 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,0,1]=4 272 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,1,0,0|1,0,1]=4 274 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.4 CC1NCC1F F21597 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [1,0,0,1,0,0|1,0,1]=4 283 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|1,0,0]=3 284 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,0]=3 285 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,1]=4 288 B6R1.6 CN[C@@H]1CCN1 A7337 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,1]=4 291 B6R1.6 N#CC1CCC1 C5653 [1,0,0,1,0,0|1,0,1]=4 292 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,1]=4 293 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,1]=4 294 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|1,0,1]=4 295 B6R1.6 NNC1CCC1 C37776 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|0,0,2]=4 297 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,1]=4 301 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|1,0,1]=4 302 B6R1.7 CC1(CN)CC1 M41319 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.7 CC1(CO)CC1 M29792 [1,0,0,1,0,0|0,0,2]=4 304 B6R1.7 CCC1(N)CC1 E29724 [1,0,0,1,0,0|1,0,0]=3 305 B6R1.7 NC1(CO)CC1 A1400 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.7 NC1(CO)CC1 A16823 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.7 NCC1(F)CC1 F60284 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.7 NCC1(O)CC1 A13658 [1,0,0,1,0,0|1,0,1]=4 309 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.1 CN[C@@H]1CCN(C)C1 D25425 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.1 CN[C@H]1CCN(C)C1 D1341 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.1 CN[C@H]1CCN(C)C1 D25424 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.1 CN[C@H]1CCN(C)C1 T24682 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.2 C#CC1CCNCC1 E24220 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.2 C#CC1CCOCC1 E0568 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.2 CCC1COCCN1 O5554 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,1,0,0|0,0,2]=4 364 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.2 COC1CCNCC1 M0482 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.2 COC1CCNCC1 M1164 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.2 N#CC1CCCCC1 C69224 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.2 N#CC1CCCCN1 P20239 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.2 N#CC1CCNCC1 C10273 [0,1,0,1,0,0|1,0,1]=4 385 B8R1.2 N#CC1CCOCC1 C1508 [0,1,0,1,0,0|1,0,1]=4 386 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,1,0,0|1,0,1]=4 391 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,1,0,0|1,0,1]=4 395 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.2 NNC1CCCCC1 C43508 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.2 NNC1CCOCC1 T12041 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.2 NNC1CCOCC1 T64234 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|0,0,2]=4 405 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|0,0,2]=4 406 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,1,0,0|0,0,0]=2 407 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,1,0,0|0,0,0]=2 408 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.2 O=CN1CCOCC1 M68909 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,1,0,1,0,0|0,0,2]=4 411 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,1,0,0|0,0,2]=4 412 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,1,0,0|0,0,2]=4 413 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,1,0,0|0,0,2]=4 414 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,1,0,0|0,0,2]=4 416 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|0,0,2]=4 417 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,1,0,0|0,0,2]=4 418 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,1,0,0|0,0,2]=4 419 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,1,0,0|0,0,2]=4 420 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,1,0,0|0,0,2]=4 421 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,1,0,0|0,0,2]=4 422 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,1,0,0|0,0,2]=4 423 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,1,0,0|0,0,2]=4 424 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,1,0,0|0,0,2]=4 425 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,1,0,0|0,0,2]=4 426 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.8 CNC[C@H]1CCOC1 M1347 [0,1,0,1,0,0|0,0,2]=4 431 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.8 COC[C@H]1CCCN1 M14242 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.8 COC[C@H]1CCNC1 M14793 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.8 COC[C@H]1CCNC1 M26667 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.8 COC[C@H]1CCNC1 M41581 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.8 NCCC1CCCC1 C46503 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|0,0,0]=2 444 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,1,0,1,0,0|0,0,2]=4 446 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,1,0,1,0,0|0,0,2]=4 447 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [0,1,0,1,0,0|1,0,1]=4 455 B8R1.60 C#CC1(CC)COC1 E8501 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.60 CCC1(C#N)CNC1 E64014 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.60 CCC1(C#N)COC1 E8306 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.60 CCC1(C=O)COC1 E8388 [0,1,0,1,0,0|0,0,0]=2 459 B8R1.60 CCC1(CN)COC1 E8385 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.60 CCC1(CO)COC1 E29798 [0,1,0,1,0,0|0,0,2]=4 461 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|0,0,0]=2 462 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|0,0,2]=4 481 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|0,0,2]=4 482 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|0,0,0]=2 483 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.7 OB(O)C1CCCC1 C2400 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.31 O=C(O)C1CCC1F F59749 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.63 C#CC1(C(=O)O)CC1 E42939 [0,1,0,1,0,0|0,0,2]=4 510 B8R1.63 C#CC1(C(C)C)CC1 E59958 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.63 CCC1(C(=O)O)CC1 E29679 [0,1,0,1,0,0|0,0,0]=2 512 B8R1.63 N#CC1(C(=O)O)CC1 C24923 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.63 N#CC1(C(N)=O)CC1 C41029 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.52 NCC1(F)CCCC1 F60053 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.52 NCC1(O)CCCC1 A1151 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.52 NCC1(O)CCCC1 A43483 [0,1,0,1,0,0|1,0,1]=4 517 B8R2.22 C1CC2CNCC12 A11809 [0,0,0,2,0,0|1,0,1]=4 518 B8R2.22 C1CC2CNCC12 A15175 [0,0,0,2,0,0|1,0,1]=4 519 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,2,0,0|2,0,0]=4 520 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,2,0,0|2,0,0]=4 521 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,2,0,0|2,0,0]=4 522 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,2,0,0|2,0,0]=4 523 B8R2.55 C1CC2(CC2)CN1 A8605 [0,0,0,2,0,0|1,0,1]=4 524 B8R2.55 C1CNC2(C1)CC2 A8604 [0,0,0,2,0,0|2,0,0]=4 525 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|0,0,0]=2