0 B7R0.7 C=C(OCC)OCC 32224 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 CC#CC(=O)OCC 45161 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.7 CCCC(N)CCC 12594 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 CCOC(=O)C=[N+]=[N-] 23911 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.7 CCOC(=O)CCBr 25427 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.7 CCOC(=O)CCN 10927 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.7 CCOC(=O)CNC 10917 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.7 CCOC(=O)CNN 2459 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.7 CCOC(=O)N=C=O 35995 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.7 CCOC(=O)N=C=S 11182 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.7 CCOC(=O)\C=C\I 11670 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.7 CCOP(C)OCC 35787 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.7 O=C(CCCl)CCCl 2482 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.1 C#CC(=O)OCC 4070 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.1 C=CC(=O)OCC 24719 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.1 CC#CC(=O)OC 12783 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.1 CCC(C)CCO 35939 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CCOC(=N)CCl 44863 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)C#N 26282 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.1 CCOC(=O)C=O 27307 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.1 CCOC(=O)CF 23757 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 CCOC(=O)CN 10926 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.1 CCOC(=O)NO 12451 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CNCC(=O)OC 10901 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 COC(=O)CCBr 19970 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.1 COC(=O)CCN 10900 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.1 COC(=O)NC=O 23790 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 COC(=O)\C=C\F 12658 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 COC(=O)\C=C\I 11669 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.1 COC(C)CCO 35942 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 O=C(CBr)CCBr 35308 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 CCCC#CCO 13064 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCCCCCBr 3776 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCCCCI 3945 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCCCNCC 10254 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.6 CCCCOCC 12525 [1,0,0,0,0,0|0,0,1]=2 38 B6R0.6 CCCOCCCl 14348 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.6 CCC\C=C\CO 18917 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 CCOCCC#N 24829 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CCOCCCO 1937 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 COCCOCCl 10093 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.1 C=COC(=O)CCCC 13121 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.1 CCOC(=O)CCC#N 31621 [0,1,0,0,0,0|0,0,1]=2 45 B8R0.1 CCOC(=O)CCCBr 3949 [0,1,0,0,0,0|0,0,0]=1 46 B8R0.1 CCOC(=O)CCCI 35852 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.1 CCOC(=O)NCCCl 23479 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.1 CCOC(=O)\C=C\C#N 25927 [0,1,0,0,0,0|0,0,3]=4 49 B8R0.1 CCOC(=O)\C=C\CBr 35147 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.3 C=C(CO)C(=O)OCC 32236 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,1,0,0,0,0|0,0,1]=2 53 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.5 CC(C)OC(=O)OCCl 28997 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,1,0,0,0,0|0,0,1]=2 58 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.5 CCOC(=O)C[N+](=O)[O-] 13723 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [0,1,0,0,0,0|0,0,2]=3 65 B8R0.22 C#CC(OCC)OCC 23104 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.22 CCOC(C#N)OCC 36046 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.22 CCOC(CBr)OCC 9973 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.22 CCOC(CC)OCC 32331 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.22 CCOC(CCl)OCC 18626 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.22 CCOC(CN)OCC 21113 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.22 CCO[SiH](CC)OCC 10815 [0,1,0,0,0,0|2,1,0]=4 72 B8R0.30 CCOP(=S)([S-])OCC 32007 [0,1,0,0,0,0|2,1,0]=4 73 B8R0.30 CCOP(C)(=O)OCC 44741 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.4 CC1CCNC(C)C1 6757 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.4 CN1CCNC(=O)C1 23318 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 24849 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 35396 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.4 C[C@H]1CNC[C@@H](C)O1 16624 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.4 NC1=CC(=O)CCC1 14449 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.4 NC1CCNC(=O)C1 22226 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.4 O=C1CCCC(=O)C1 11104 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.4 O=C1CCCC(=O)O1 36227 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.4 O=C1CCNC(=O)C1 22543 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.4 O=C1COCC(=O)O1 24329 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.8 BrCCC1OCCO1 35931 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.8 NCCC1OCCO1 16803 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.18 CC1=C(C)OC(=O)O1 2328 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.18 N[C@@H]1CC(=O)OC1=O 17187 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.22 O=C1CCCCCC1 15555 [0,0,0,1,0,0|1,0,0]=2 91 B8R1.22 O=C1CCCCCN1 32271 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.22 O=C1CCCCCO1 15924 [0,0,0,1,0,0|0,0,0]=1 93 B8R1.22 O=C1CCCNCC1 17662 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.37 CCOC(=O)C1CC1 11840 [0,0,0,1,0,0|0,0,0]=1 95 B8R1.37 N#CCC(=O)C1CC1 22387 [0,0,0,1,0,0|2,0,1]=4 96 B5R0.1 CC#CC(=O)O 16226 [2,0,0,0,0,0|0,0,2]=4 97 B5R0.1 CC(=O)NCO 11062 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 CCCB(O)O 6019 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 CCCC(=N)N 16315 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 CCCC(=O)Cl 13241 [2,0,0,0,0,0|1,0,0]=3 101 B5R0.1 CCCC(C)N 26317 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.1 CCC[C@@H](C)O 6721 [2,0,0,0,0,0|0,0,2]=4 103 B5R0.1 CCC[C@H](C)O 6719 [2,0,0,0,0,0|0,0,2]=4 104 B5R0.1 CCOC(=S)[S-] 36079 [2,0,0,0,0,0|1,1,0]=4 105 B5R0.1 CCOC(C)=N 2020 [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 CCSC(C)=S 12459 [2,0,0,0,0,0|0,2,0]=4 107 B5R0.1 CNCC(=O)O 10995 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.1 N#CCC(=O)O 20139 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.1 NCCC(=O)O 10996 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 NCCC(N)=O 18936 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 O=C(Cl)CCBr 31904 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 O=C(Cl)CCCl 13691 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 O=C(O)CCCl 13689 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 O=C(O)CCO 12598 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 O=C(O)CCS 36422 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.2 CCCCCI 3960 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.2 CCCNCC 10270 [2,0,0,0,0,0|1,0,0]=3 118 B5R0.2 CCOCCBr 12476 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.2 CCOCCCl 1932 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.2 COCCCBr 11240 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.2 COCCCCl 18632 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.2 COCCCN 16804 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.2 COCCCO 1936 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.2 COCCOC 18652 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.3 C#CC(=O)OC 13736 [2,0,0,0,0,0|0,0,2]=4 126 B5R0.3 CCP(Cl)CC 6480 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 COC(=O)CN 10899 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.3 COC(=O)CS 10788 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.3 COC(=O)NN 17404 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.3 O=C(CO)CO 4053 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.2 CC(C)NC(=O)CBr 17628 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.2 CCC(=O)CC(C)=O 24813 [1,1,0,0,0,0|0,0,1]=3 133 B7R0.2 COC(=O)C=C(C)C 35911 [1,1,0,0,0,0|0,0,2]=4 134 B7R0.2 COC(=O)CC(C)=O 24182 [1,1,0,0,0,0|0,0,1]=3 135 B7R0.2 COC(=O)CC(N)=S 16742 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.2 COC(=O)C[C@@H](C)O 13967 [1,1,0,0,0,0|0,0,0]=2 137 B7R0.2 COC(=O)C[C@H](C)O 13965 [1,1,0,0,0,0|0,0,0]=2 138 B7R0.2 COC(=O)\C=C(/C)N 15699 [1,1,0,0,0,0|0,0,2]=4 139 B7R0.3 C=CCOC(=O)OC 26330 [1,1,0,0,0,0|0,0,2]=4 140 B7R0.3 COC(=O)CCC#N 12831 [1,1,0,0,0,0|0,0,1]=3 141 B7R0.3 COC(=O)CCC=O 29717 [1,1,0,0,0,0|0,0,1]=3 142 B7R0.3 COC(=O)\C=C\CBr 26000 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.3 COC(=O)\C=C\CBr 26406 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.3 CO\C=C\C(=O)OC 26434 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.5 CCOC(=O)C(C)F 13697 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.5 CCOC(=O)C(C)N 10928 [1,1,0,0,0,0|0,0,0]=2 147 B7R0.5 CCOC(=O)C(F)F 29087 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [1,1,0,0,0,0|0,0,0]=2 149 B7R0.5 CCOC(=O)[C@H](C)N 12964 [1,1,0,0,0,0|0,0,0]=2 150 B7R0.5 CCOC(=O)[C@H](C)O 26157 [1,1,0,0,0,0|0,0,0]=2 151 B7R0.10 C=C(CBr)C(=O)OC 17371 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.10 C=C(CCl)C(=O)OC 17372 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.10 C=C(CO)C(=O)OC 17373 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.10 CCC(Br)C(=O)OC 20191 [1,1,0,0,0,0|0,0,0]=2 155 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [1,1,0,0,0,0|0,0,0]=2 156 B7R0.10 COC(=O)C(Cl)CCl 24797 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.10 COC(=O)C(N)CO 10908 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.10 COC(=O)C(O)OC 17980 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.10 COC(=O)[C@@H](N)CO 10895 [1,1,0,0,0,0|1,0,0]=3 160 B7R0.10 COC(=O)[C@@H](N)CS 10881 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.10 COC(=O)[C@H](N)CO 10896 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.1 CCCCCCCBr 3775 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.1 CCCCCCCI 3944 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.1 CCCC\C=C\CO 18918 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.1 CCOCCCCCl 1933 [1,1,0,0,0,0|0,0,1]=3 166 B7R0.4 CCCCCC(C)O 3094 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.4 CCCCC[C@@H](C)O 6739 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.4 CCCCC[C@H](C)O 6736 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.4 CCC\C=C\C(C)=O 18920 [1,1,0,0,0,0|1,0,1]=4 170 B9R0.5 CCCCCC(=O)OCC 15737 [0,2,0,0,0,0|0,0,0]=2 171 B9R0.5 CCOC(=O)CCCCBr 3955 [0,2,0,0,0,0|0,0,0]=2 172 B9R0.5 CCOC(=O)CCCCN 31885 [0,2,0,0,0,0|0,0,0]=2 173 B9R0.5 CCOC(=O)CCN=C=O 30451 [0,2,0,0,0,0|0,0,1]=3 174 B9R0.5 CCO\C=C\C(=O)OCC 12909 [0,2,0,0,0,0|0,0,1]=3 175 B9R0.5 CCO\C=C\C(=O)OCC 27595 [0,2,0,0,0,0|0,0,1]=3 176 B9R0.18 O=C(CCCCl)CCCCl 13593 [0,2,0,0,0,0|1,0,0]=3 177 B9R0.34 CCOC(=O)CC(=O)NN 26207 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [0,2,0,0,0,0|0,0,0]=2 179 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [0,2,0,0,0,0|0,0,0]=2 180 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [0,2,0,0,0,0|0,0,0]=2 181 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [0,2,0,0,0,0|0,0,0]=2 182 B9R0.34 CCOC(=O)\C=C(/C)NC 12807 [0,2,0,0,0,0|0,0,2]=4 183 B9R0.35 CCC[C@@H](N)C(=O)OCC 34971 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.35 CCC[C@H](N)C(=O)OCC 34972 [0,2,0,0,0,0|0,0,0]=2 185 B9R0.35 CCOC(=N)C(=O)OCC 35840 [0,2,0,0,0,0|0,0,1]=3 186 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,2,0,0,0,0|0,0,1]=3 187 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,2,0,0,0,0|0,0,0]=2 188 B9R0.48 CCOC(=O)CC[N+](=O)[O-] 27586 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [0,2,0,0,0,0|0,0,2]=4 190 B9R0.6 CCOC(=O)C(=O)C(C)C 18179 [0,2,0,0,0,0|0,0,1]=3 191 B9R0.6 CCOC(=O)C(Br)C(C)Br 12650 [0,2,0,0,0,0|0,0,0]=2 192 B9R0.6 CCOC(=O)C(C)C(C)=O 15839 [0,2,0,0,0,0|0,0,1]=3 193 B9R0.6 CCOC(=O)C(F)C(C)=O 25422 [0,2,0,0,0,0|0,0,1]=3 194 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 14928 [0,2,0,0,0,0|0,0,0]=2 195 B9R0.6 CCOC(=O)[C@H](O)C(C)C 15559 [0,2,0,0,0,0|0,0,0]=2 196 B9R0.19 CCOC(=O)C(C)(C)C#N 23352 [0,2,0,0,0,0|1,0,1]=4 197 B9R0.19 CCOC(=O)C(C)(C)CN 19345 [0,2,0,0,0,0|1,0,0]=3 198 B9R0.19 CCOC(=O)C(F)(F)CN 17369 [0,2,0,0,0,0|1,0,0]=3 199 B9R0.44 CC(C)(C)NC(=O)CCN 22383 [0,2,0,0,0,0|2,0,0]=4 200 B9R0.44 CCOC(=O)CS(C)(=O)=O 19990 [0,2,0,0,0,0|1,0,0]=3 201 B9R0.44 CCOC(=O)C[Si](C)(C)C 16058 [0,2,0,0,0,0|0,1,0]=3 202 B9R0.44 CNCC(=O)OC(C)(C)C 19034 [0,2,0,0,0,0|1,0,0]=3 203 B9R0.44 C\C=C\C(=O)OC(C)(C)C 12495 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.59 C=CP(=O)(OCC)OCC 30437 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.59 CCOP(=O)(CC)OCC 36125 [0,2,0,0,0,0|2,0,0]=4 206 B7R1.1 CCC1=NCCO1 12821 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.1 CCN1CCCC1 36488 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.2 CC1=CC(=O)CC1 25608 [1,0,0,1,0,0|0,0,2]=4 209 B7R1.2 CC1=CCC(=O)O1 16859 [1,0,0,1,0,0|0,0,2]=4 210 B7R1.2 CC1COC(=O)C1 35360 [1,0,0,1,0,0|0,0,0]=2 211 B7R1.2 CC1COC(=O)O1 27468 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.2 CN1CCC(=O)C1 20342 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [1,0,0,1,0,0|0,0,0]=2 214 B7R1.2 C[C@@H]1COC(=O)O1 6059 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.2 C[C@H]1COC(=O)O1 6716 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.2 NC1CNC(=O)C1 31656 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.2 N[C@@H]1COC(=O)C1 14757 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.2 N[C@H]1COC(=O)C1 14758 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.2 O=C1CC(O)CO1 35886 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.2 O=C1CCC(=O)O1 21337 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.2 O=C1C[C@@H](O)CN1 6351 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.2 O=C1C[C@@H](O)CO1 6051 [1,0,0,1,0,0|1,0,0]=3 223 B7R1.2 O=C1C[C@@H](S)CN1 26289 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.2 O=C1C[C@H](O)CN1 19064 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.2 O=C1C[C@H](O)CO1 6050 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.3 BrC1=CCCCC1 29716 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.3 CN1CCCCC1 7703 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 NN1CCCCC1 23024 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 NN1CCCCC1 23261 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 O=C1CCCCN1 16892 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.3 O=C1CCCCO1 20208 [1,0,0,1,0,0|0,0,0]=2 232 B7R1.3 O=C1CCCNC1 24362 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.3 O=C1CCCNC1 26624 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.3 O=C1CCCOC1 15125 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.3 O=C1CCCOC1 19912 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.3 O=C1CCNCC1 6789 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.3 O=C1CCNCC1 7756 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.3 O=C1CCOCC1 9557 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.3 O=C1CCSCC1 18603 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.3 O=C1CNCCN1 23093 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.3 O=C1CNCCN1 8557 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.3 O=C1CNCCO1 27815 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.3 O=C1COCCN1 25157 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.3 O=C1COCCO1 14989 [1,0,0,1,0,0|1,0,0]=3 245 B7R1.3 O=C1NCCCN1 12422 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.3 O=S1OCCCO1 21949 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.4 CC1CCNC1=O 18075 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.4 CC1OCCC1=O 7120 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.4 CN1CCCC1=O 17618 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.4 NC1CCOC1=O 6982 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.4 NC1CCSC1=O 26584 [1,0,0,1,0,0|1,1,0]=4 252 B7R1.4 NN1CCCC1=O 26204 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.4 N[C@@H]1CCNC1=O 24096 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.4 N[C@@H]1CCOC1=O 14743 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.4 N[C@H]1CCOC1=O 13830 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.4 O=C1NCC[C@@H]1O 26213 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.4 O=C1OCCC1Br 10714 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O 24549 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.22 COC(=O)C1CC1 11835 [1,0,0,1,0,0|0,0,0]=2 260 B7R1.22 COC(=O)C1CO1 35239 [1,0,0,1,0,0|1,0,0]=3 261 B7R1.22 COC(=O)[C@H]1CO1 36331 [1,0,0,1,0,0|1,0,0]=3 262 B7R1.22 O=C(CBr)C1CC1 21100 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.24 C1CNCCOC1 25220 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.8 CCOC1CCCNC1 31884 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.8 CCOC1CCNCC1 9355 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.12 BrCCCC1OCCO1 25152 [0,1,0,1,0,0|0,0,2]=4 267 B9R1.15 CCC1CCCOC1=O 26311 [0,1,0,1,0,0|0,0,0]=2 268 B9R1.15 COC1COCCC1=O 24387 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.15 O=C1CCCCC1CO 20380 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 20488 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 20491 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.27 CCC1=C(C)CNC1=O 12392 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.27 CCC1C(=O)CCC1=O 35624 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.33 CCCN1CCCC1=O 9160 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.33 NCCN1CCNC1=O 23960 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.33 O=C1NCCN1CCCl 23441 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.33 O=C1NCCN1CCO 45197 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.49 CN1CCCC(=O)CC1 2442 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.49 CN1CCCC(=O)CC1 2443 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.5 CN1CCCCCC1=O 36383 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.5 NC1CCCCNC1=O 20137 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.5 N[C@H]1CCCCNC1=O 14097 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.74 CCOC(=O)C1(N)CC1 14733 [0,1,0,1,0,0|0,0,0]=2 286 B9R1.34 CC1CC(=O)CC(=O)C1 14279 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.34 CC1CC(=O)CC(C)C1 35048 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.41 CC(=O)C1CCOC1=O 6957 [0,1,0,1,0,0|0,0,1]=3 289 B9R1.66 CC1(C)CC(=O)CCO1 24423 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.66 CC1(C)CCCC(=O)C1 27316 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.137 CC(=O)CC(=O)C1CC1 21009 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.89 O=CC1CCCCCC1 16219 [0,1,0,1,0,0|1,0,1]=4 293 B9R2.25 O=C1OC(=O)C2CC12 18320 [0,0,0,2,0,0|1,0,1]=4 294 B9R2.87 O=C(C1CC1)C2CC2 13596 [0,0,0,2,0,0|1,0,0]=3