0 B5R0.3 C=C(CBr)CBr B36829 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CCl)CCl C10867 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C(CO)CO M5145 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.3 C=C[C@H](N)CO A40343 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CC(CBr)CBr D40238 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CC(CO)CO M60880 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.3 CCC(=N)NO H39883 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CCC(=O)CN A32390 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CCC(=O)CO H36713 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 CCC(N)CC P40440 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CC[C@@H](N)CO A39144 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CC[C@@H](O)CO B39955 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.3 CC[C@H](N)CO A39145 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CC[C@H](O)CO B39956 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.3 COC(=O)CO M67586 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 CO[C@@H](C)CN M40313 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 CO[C@@H](C)CO M68380 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 CO[C@H](C)CN M40312 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 CO[C@H](C)CO M68381 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 NCC(O)CN D38498 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 NC[C@@H](O)CCl A39888 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 NC[C@@H](O)CO A67523 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.3 NC[C@H](Br)CBr D9273 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.3 NC[C@H](O)CCl A36622 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 NC[C@H](O)CCl A39887 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 NC[C@H](O)CF A28629 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.3 NC[C@H](O)CO A38562 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.3 NC[C@H](O)CO A67451 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.3 NNC(=O)CO H32091 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.3 O=C(CCl)CCl D4849 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 O=C[C@H](O)CO D39873 [0,0,0,0,0,0|0,0,2]=2 31 B5R0.3 OC[C@@H](O)CCl C69122 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.3 OC[C@@H](O)CF F60905 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.3 OC[C@H](O)CCl C68371 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.3 OC[C@H](O)CF F60904 [0,0,0,0,0,0|1,0,0]=1 35 B4R0.1 C#C[C@@H](C)O B62970 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C#C[C@H](C)N B32316 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C#C[C@H](C)O B40212 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 C=C(Br)CO B39863 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 C=C(I)CO I9998 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 CC(C)NN P67395 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CC(C)NO P39934 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(C)ON P39935 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(N)=NO H37897 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CCB(O)O E3108 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC[C@H](C)N B62608 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C[C@@H](Cl)CO C39879 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 C[C@@H](N)CN D39937 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@@H](N)CO A13415 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 C[C@@H](O)CCl C67728 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 C[C@@H](O)CN A67482 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 C[C@H](Br)CN B39885 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 C[C@H](Cl)CO C39880 [1,0,0,0,0,0|1,0,0]=2 55 B4R0.1 C[C@H](N)CF F62811 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 C[C@H](N)CN P39936 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 C[C@H](N)CO A13416 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.1 C[C@H](N)CO A69136 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 C[C@H](O)CN A69178 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 C[C@H](O)CO P60705 [1,0,0,0,0,0|0,0,0]=1 61 B4R0.1 N=C(N)CO H39795 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 NC(=O)CO H68919 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 BrCCCBr D69412 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 C#CCCN B40327 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 C#CCCO B26554 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 CC#CCO H64582 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.2 CCCNN P39906 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.2 CNCCBr B38473 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 CNCCCl C39886 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.2 COCCI K39881 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.2 CSCCN M62136 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.2 ClCCCI C1367 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 ICCCI D39865 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 N#CCCN C64951 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 N#CCCO H67414 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.2 N#CCCS M39860 [1,0,0,0,0,0|1,1,1]=4 80 B4R0.2 NCCCCl C37835 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 NCCCO A69322 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.2 NOCCO A39786 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 OCC#CI I9917 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 OCCCBr B39137 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.2 OCCCO P69117 [1,0,0,0,0,0|0,0,0]=1 86 B6R0.1 C=CC[C@@H](N)CO A41325 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 CCC[C@H](N)CO A40443 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.1 CCC[C@H](N)CO A66421 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.1 CCOC(=O)CO E37817 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.1 CNC[C@H](O)CO M37886 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.1 CO[C@@H](C)CCO M68623 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.1 N#CC[C@H](O)CCl C39152 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 CC(C)[C@H](N)CO V40442 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 CC[C@H](C)B(O)O B39967 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,1,0,0,0,0|1,0,1]=3 108 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,1,0,0,0,0|1,1,1]=4 109 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,1,0,0,0,0|1,1,1]=4 112 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,1,0,0,0,0|1,1,1]=4 113 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,1,0,0,0,0|1,1,1]=4 114 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,1,0,0,0,0|0,0,1]=2 116 B6R0.8 CC(C)(C#N)CO H38135 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.8 CC(C)(CO)CCl C40423 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.8 CNC(C)(C)CO M40446 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.8 NCC(F)(F)CO A20407 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.8 OCC(F)(F)CO D63088 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.9 CCC(CC)C[Mg+] E31704 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.9 COC(CBr)OC B25077 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.9 COC(CN)OC D39146 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.9 OCC(CO)CO H36774 [0,1,0,0,0,0|0,0,0]=1 125 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,1,0,0|3,0,0]=4 128 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,1,0,0|3,0,0]=4 132 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 IC1CCCC1 I20419 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 NC1CC=CC1 A13279 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,1,0,0|2,0,0]=3 148 B6R1.2 O=C1CCOC1 X0391 [0,0,0,1,0,0|1,0,2]=4 149 B6R1.2 OC1CC=CC1 C67522 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,1,0,0|1,0,0]=2 158 B6R1.2 O[C@H]1CNOC1 K39924 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.4 CC1NCC1F F21597 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,0,0|1,0,2]=4 163 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,0,0|1,0,2]=4 164 B6R1.6 BrCC1COC1 B19169 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.6 BrC[C@H]1CCO1 B0614 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.6 C#CC1COC1 E59987 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.6 CNC1COC1 M5690 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.6 FCC1CNC1 F21648 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.6 ICC1CCC1 I29708 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.6 ICC1COC1 I6937 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.6 IC[C@H]1CCO1 I6940 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.6 N#CC1COC1 X61554 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.6 NCC1CCC1 C0310 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.6 NCC1CCC1 C1144 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.6 NCC1CNC1 A13410 [0,0,0,1,0,0|3,0,0]=4 176 B6R1.6 NCC1COC1 O5691 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.6 NCC1CSC1 T6978 [0,0,0,1,0,0|2,1,0]=4 178 B6R1.6 NC[C@H]1CCO1 X6187 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.6 OCC1CCC1 C67424 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.6 OCC1CNC1 A5874 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.6 OCC1CNC1 H12177 [0,0,0,1,0,0|2,0,0]=3 182 B6R1.6 OCC1COC1 X6263 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.6 OCC1CSC1 T20107 [0,0,0,1,0,0|1,1,0]=3 184 B6R1.6 OC[C@@H]1CCN1 A11256 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.6 OC[C@H]1CCN1 A11255 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.6 OC[C@H]1CCN1 A11257 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.6 OC[C@H]1CCO1 X6188 [0,0,0,1,0,0|1,0,0]=2 188 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.7 CC1(CN)CC1 M41319 [0,0,0,1,0,0|3,0,0]=4 190 B6R1.7 CC1(CO)CC1 M29792 [0,0,0,1,0,0|2,0,0]=3 191 B6R1.7 CC1(CO)N=N1 M63686 [0,0,0,1,0,0|3,0,0]=4 192 B6R1.7 CCC1(N)CC1 E29724 [0,0,0,1,0,0|3,0,0]=4 193 B6R1.7 C[C@]1(CCl)CO1 C62803 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.7 NC1(CO)CC1 A1400 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.7 NC1(CO)CC1 A16823 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.7 NCC1(F)CC1 F60284 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.7 NCC1(O)CC1 A13658 [0,0,0,1,0,0|2,0,0]=3 198 B3R0.1 CCCN P62456 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.1 CCNC M39932 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 CCON E60797 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 FCCI F39767 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.1 NCCBr B68074 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.1 NCCCl C68611 [2,0,0,0,0,0|2,0,0]=4 204 B3R0.1 NCCF F39796 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.2 CC(=O)O F69263 [2,0,0,0,0,0|0,0,2]=4 206 B3R0.2 CC(C)N P39142 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.2 C[S+](C)C T68118 [2,0,0,0,0,0|2,0,0]=4 208 B3R0.2 O[11B](O)O B5112 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.1 C=C(C)CON M40345 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 C=CC[C@H](C)O P62507 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 CC#C[C@H](C)O B1790 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.1 CC(C)CNN B40316 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.1 CC(C)\C=N\O I2624 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.1 CCCB(O)O P5056 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.1 CCC[C@@H](C)N P16023 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.1 CCC[C@H](C)N P22363 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.1 COCC(=O)O M69331 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.1 COC[C@@H](C)N M40311 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 COC[C@@H](C)O M39959 [1,1,0,0,0,0|0,0,0]=2 220 B5R0.1 COC[C@H](C)O M61064 [1,1,0,0,0,0|0,0,0]=2 221 B5R0.1 C[C@@H](N)CCO A10772 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.1 C[C@H](N)CCO A10771 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 C[C@H](N)CCO A39964 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.1 C[C@H](O)CCO B68917 [1,1,0,0,0,0|0,0,0]=2 225 B5R0.1 NOCC(=O)O C40302 [1,1,0,0,0,0|0,0,2]=4 226 B5R0.1 OCCC(F)F D60407 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.4 CC(C)(C)CN D41344 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.4 CC(C)(C)C[Mg+] D31702 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.4 CC(C)(C)NO B41419 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.4 CC(C)(F)CO F64897 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.4 CC(C)(N)CN M25502 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.4 CC(C)(N)CO A68632 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.4 CC(C)(O)CCl C40272 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.4 CC(C)(O)CN A10987 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.4 CC(C)(O)CO M37968 [1,1,0,0,0,0|0,0,0]=2 236 B5R0.4 CC(C)(S)CN A40315 [1,1,0,0,0,0|1,1,0]=4 237 B5R0.4 CC(F)(F)CN D38838 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.4 OCC(Cl)(Cl)Cl T60737 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.5 CC(C)B(O)O P39893 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.5 CC(O)C(=O)[O-] C60888 [1,1,0,0,0,0|0,0,2]=4 241 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,1,0,0,0,0|0,0,2]=4 243 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,1,0,0,0,0|0,0,0]=2 247 B5R0.5 OB(O)B(O)O H67652 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.2 BrCCCCBr D69410 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.2 C#CCCCCl C68183 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.2 C#CCCCI I8474 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.2 C#CCCCN P41368 [1,1,0,0,0,0|2,0,0]=4 252 B5R0.2 C#CCCCO P68382 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.2 C=CCCCBr B41237 [1,1,0,0,0,0|2,0,0]=4 254 B5R0.2 C=CCCCCl C41238 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.2 C=CCCCO P36921 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.2 CCCCON B40310 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.2 CNCCCCl C39954 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.2 CNCCCO M36844 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.2 CNCCOC M23409 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.2 COCCC#N M39153 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.2 COCCCBr B68335 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.2 COCCCO M69411 [1,1,0,0,0,0|0,0,0]=2 263 B5R0.2 ClCCCCI C40239 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.2 ICCCCI D37834 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.2 N#CCCCBr B67593 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.2 N#CCCCCl C64907 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.2 NCCCCBr B39952 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.2 NCCCCN D39162 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.2 NOCCON E62368 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.2 OCCCCBr B67330 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.2 OC\C=C\CO B64254 [1,1,0,0,0,0|0,0,1]=3 272 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.2 CN(C)C[C@H](O)CO D68905 [0,2,0,0,0,0|1,0,0]=3 277 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,2,0,0,0,0|1,0,0]=3 278 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.3 CCCC[C@@H](N)CO A43512 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.7 CCC[C@H](N)CCO A43513 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.7 COCC(=O)COC D40391 [0,2,0,0,0,0|0,0,2]=4 293 B7R0.7 COCC(N)COC D40447 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,2,0,0,0,0|0,0,1]=3 302 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,2,0,0,0,0|1,0,1]=4 303 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,2,0,0,0,0|0,0,1]=3 304 B7R0.12 COCC(OC)OC T40436 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.14 CC(C)(C)[C@@H](N)CO L32323 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.14 CC(C)(C)[C@H](N)CO L32374 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.14 C[C@@H](CO)C(F)(F)F T36837 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.14 NC[C@H](O)C(F)(F)F A64525 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.14 N[C@@H](CO)C(F)(F)F A39922 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.14 OC[C@H](Br)C(F)(F)F B39852 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.15 O=C(O)C(CS)CS M67176 [0,2,0,0,0,0|0,2,0]=4 318 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,2,0,0,0,0|1,0,1]=4 322 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,2,0,0,0,0|1,0,1]=4 323 B5R1.2 BrC1CCC1 B23687 [1,0,0,1,0,0|2,0,0]=4 324 B5R1.2 BrC1CNC1 B13326 [1,0,0,1,0,0|2,0,0]=4 325 B5R1.2 BrC1COC1 B5688 [1,0,0,1,0,0|1,0,0]=3 326 B5R1.2 CC1CNC1 M1321 [1,0,0,1,0,0|2,0,0]=4 327 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,1,0,0|2,0,0]=4 328 B5R1.2 ClC1CNC1 C1323 [1,0,0,1,0,0|2,0,0]=4 329 B5R1.2 ClC1COC1 C8470 [1,0,0,1,0,0|1,0,0]=3 330 B5R1.2 FC1CNC1 F5255 [1,0,0,1,0,0|2,0,0]=4 331 B5R1.2 IC1CCC1 I23424 [1,0,0,1,0,0|2,0,0]=4 332 B5R1.2 IC1CNC1 I13327 [1,0,0,1,0,0|2,0,0]=4 333 B5R1.2 IC1COC1 I5689 [1,0,0,1,0,0|1,0,0]=3 334 B5R1.2 NC1CCC1 C60561 [1,0,0,1,0,0|2,0,0]=4 335 B5R1.2 NC1CNC1 A5482 [1,0,0,1,0,0|2,0,0]=4 336 B5R1.2 NC1COC1 O5613 [1,0,0,1,0,0|1,0,0]=3 337 B5R1.2 NC1CSC1 T6025 [1,0,0,1,0,0|1,1,0]=4 338 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|0,0,2]=4 339 B5R1.2 OC1CNC1 H2864 [1,0,0,1,0,0|1,0,0]=3 340 B5R1.2 OC1COC1 O5686 [1,0,0,1,0,0|0,0,0]=2 341 B5R1.2 SC1CNC1 A11453 [1,0,0,1,0,0|1,1,0]=4 342 B5R1.2 SC1COC1 O8471 [1,0,0,1,0,0|0,1,0]=3 343 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,1,0,0|2,0,0]=4 344 B5R1.3 BrCC1CC1 C2498 [1,0,0,1,0,0|2,0,0]=4 345 B5R1.3 ClC[C@@H]1CO1 E10841 [1,0,0,1,0,0|1,0,0]=3 346 B5R1.3 ClC[C@H]1CO1 E10840 [1,0,0,1,0,0|1,0,0]=3 347 B5R1.3 OC[C@@H]1CO1 X39872 [1,0,0,1,0,0|0,0,0]=2 348 B5R1.3 OC[C@H]1CO1 X60516 [1,0,0,1,0,0|0,0,0]=2 349 B5R1.4 C[C@@H]1C[C@H]1N M40340 [1,0,0,1,0,0|2,0,0]=4 350 B5R1.4 N[C@@H]1C[C@H]1F F32136 [1,0,0,1,0,0|2,0,0]=4 351 B5R1.5 CC1(Br)CC1 B29865 [1,0,0,1,0,0|2,0,0]=4 352 B5R1.5 CC1(N)CC1 M13330 [1,0,0,1,0,0|2,0,0]=4 353 B5R1.5 CC1(O)CC1 M22890 [1,0,0,1,0,0|1,0,0]=3 354 B5R1.1 C1CNNC1 P39938 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.1 OCC1CC=CC1 C11867 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.1 OCC1CCCC1 C23297 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.1 OCC1OCCO1 D40256 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,1,0,0|1,0,0]=3 381 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.3 BrC1CCOCC1 B1507 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.3 ClC1CCOCC1 C4527 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.3 IC1CCOCC1 I1189 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.3 NC1CCOCC1 A1504 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.3 NC1CCOCC1 T1169 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.3 N[C@H]1CCCOC1 T1132 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.3 N[C@H]1CCCOC1 X17960 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.3 OC1CCNCC1 P24137 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.3 OC1CCNCC1 P41321 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.3 OC1CCOCC1 H0389 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.3 OC1CCSCC1 H31816 [0,1,0,1,0,0|1,1,0]=4 433 B7R1.3 OC1COCOC1 D38760 [0,1,0,1,0,0|0,0,0]=2 434 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.3 O[C@H]1CCCNC1 H0276 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.3 O[C@H]1CCCNC1 H10264 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.3 O[C@H]1CCCNC1 H10265 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.3 O[C@H]1CCCNC1 H4736 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.3 O[C@H]1CCCOC1 H11398 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.3 O[C@H]1CCCOC1 T25087 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.4 NC1CCCC1O A40401 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.4 NC1COCC1O A32163 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,1,0,1,0,0|0,0,0]=2 475 B7R1.6 CCNC1COC1 E8452 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.6 CNCC1COC1 M8438 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.6 COCC1CNC1 A0186 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.6 COCC1CNC1 M1326 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.6 COC[C@@H]1CCN1 M11645 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.6 COC[C@@H]1CCN1 M20218 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.6 COC[C@H]1CCN1 M11646 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.6 COC[C@H]1CCN1 M14791 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.6 OCCC1COC1 X6653 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.6 OCC[C@H]1CCO1 X59677 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.8 OCC1CCC1F F60214 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.10 NC1CC(CO)C1 A0314 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.10 NC1CC(CO)C1 A12367 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.10 NCC1CC(O)C1 A12368 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.10 NCC1CC(O)C1 A7528 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|1,0,1]=4 501 B7R1.10 OCC1CC(Cl)C1 C11852 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.10 OCC1CC(F)C1 F31669 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.10 OCC1CC(O)C1 H40382 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.21 CC1(CCO)CC1 M22121 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.25 C#CC1(O)COC1 E6671 [0,1,0,1,0,0|1,0,1]=4 507 B7R1.25 C=CC1(O)COC1 V13477 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.25 CC1(CBr)COC1 B0548 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.25 CC1(CCl)COC1 C8473 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.25 CC1(CI)COC1 I1186 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.25 CC1(CN)COC1 A5692 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.25 CC1(CO)CNC1 M29667 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.25 CC1(CO)COC1 M6652 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.25 CC1(CO)CSC1 M1298 [0,1,0,1,0,0|1,1,0]=4 515 B7R1.25 CC1(CS)COC1 M8472 [0,1,0,1,0,0|1,1,0]=4 516 B7R1.25 CCC1(N)COC1 E7159 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.25 CCC1(O)CNC1 E11455 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.25 CCC1(O)COC1 E40380 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.25 FC1(CBr)COC1 B6265 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.25 FC1(CI)COC1 F8394 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.25 NC1(CO)CCC1 A10610 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.25 NC1(CO)CCC1 A13167 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.25 NC1(CO)COC1 A6679 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.25 NCC1(F)COC1 A8392 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.25 NCC1(N)COC1 A11911 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.25 NCC1(O)CCC1 A21927 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.25 NCC1(O)COC1 H7163 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.25 OCC1(F)CNC1 F11720 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.25 OCC1(F)COC1 F6264 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.25 OCC1(O)CNC1 B30129 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.25 OCC1(O)COC1 H31091 [0,1,0,1,0,0|0,0,0]=2 532 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,1,0,1,0,0|1,0,1]=4 536 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.23 OC[C@@H]1CC1(F)F D59953 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.29 C#CC1(CO)CC1 E60229 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.29 N#CC1(CO)CC1 H41165 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.29 OCC1(CO)CC1 B3821 [0,1,0,1,0,0|1,0,0]=3 549 B7R2.13 C1OCC2OC12 E12004 [0,0,0,2,0,0|1,0,0]=3