0 B6R0.1 C#CC(=O)OCC 4070 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 C=CC(=O)OCC 24719 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.1 CC#CC(=O)OC 12783 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCC(C)CCO 35939 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=N)CCl 44863 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCOC(=O)C#N 26282 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.1 CCOC(=O)C=O 27307 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.1 CCOC(=O)CF 23757 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.1 CCOC(=O)CN 10926 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 CCOC(=O)NO 12451 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CC\C=C(/C)C=O 36081 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CNCC(=O)OC 10901 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 COC(=O)CCBr 19970 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 COC(=O)CCN 10900 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 COC(=O)NC=O 23790 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 COC(=O)\C=C\F 12658 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 COC(=O)\C=C\I 11669 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 O=C(CBr)CCBr 35308 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CC#CC(=O)O 16226 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(=O)NCO 11062 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(=O)\C=N\O 13359 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CC(=O)\C=N\O 31878 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CC(C)=CCBr 35170 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CCCC(=N)N 16315 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CCCC(=O)Cl 13241 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CCCC(C)N 26317 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CCC[C@@H](C)O 6721 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CCC[C@H](C)O 6719 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CCNC(C)C 10283 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CCOC(=S)[S-] 36079 [1,0,0,0,0,0|1,1,0]=3 31 B5R0.1 CCOC(C)=N 2020 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CCSC(C)=S 12459 [1,0,0,0,0,0|0,2,0]=3 33 B5R0.1 CNCC(=O)O 10995 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 NCCC(=O)O 10996 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 NCCC(N)=O 18936 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 O=C(Cl)CCBr 31904 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 O=C(Cl)CCCl 13691 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 O=C(O)CCCl 13689 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 O=C(O)CCO 12598 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 O=C(O)CCS 36422 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 BrC\C=C\CBr 9987 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.2 CCC#CCBr 35958 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 CCCCCI 3960 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCCNCC 10270 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.2 CCOCCBr 12476 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 CCOCCCl 1932 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.2 ClC\C=C\CCl 18743 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.2 ClC\C=C\CCl 29077 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 NC\C=C\CCl 25442 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 OC\C=C\CCl 29079 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 OC\C=C\CO 13982 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.3 C#CC(=O)OC 13736 [1,0,0,0,0,0|0,0,2]=3 53 B5R0.3 C=CC(=O)CBr 13741 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 C=CC(=O)CO 32353 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 CCC(N)CO 14779 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CCP(Cl)CC 6480 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 CC[C@@H](O)CO 14093 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.3 CC[C@H](C)CN 16256 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 CC[C@H](O)CO 14096 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.3 COC(=O)CN 10899 [1,0,0,0,0,0|1,0,0]=2 61 B5R0.3 COC(=O)CS 10788 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.3 COC(=O)NN 17404 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.3 CO[C@@H](C)CN 17733 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CO[C@@H](C)CN 17747 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CO[C@@H](C)CO 26646 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 CO[C@H](C)CN 17734 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 CO[C@H](C)CN 17748 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.3 O=C(CO)CO 4053 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.2 C=CC(=O)NC(C)C 35024 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.2 CC(C)NC(=O)CBr 17628 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.2 CCC(=O)CC(C)=O 24813 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.2 COC(=O)C=C(C)C 35911 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 COC(=O)CC(C)=O 24182 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.2 COC(=O)\C=C(/C)N 15699 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 C=CCOC(=O)OC 26330 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.3 COC(=O)CCC#N 12831 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.3 COC(=O)CCC=O 29717 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.3 COC(=O)\C=C\CBr 26000 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.3 COC(=O)\C=C\CBr 26406 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.3 CO\C=C\C(=O)OC 26434 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.5 CCOC(=O)C(C)F 13697 [0,1,0,0,0,0|0,0,0]=1 84 B7R0.5 CCOC(=O)C(C)N 10928 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.5 CCOC(=O)C(F)F 29087 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [0,1,0,0,0,0|0,0,0]=1 87 B7R0.5 CCOC(=O)[C@H](C)N 12964 [0,1,0,0,0,0|0,0,0]=1 88 B7R0.5 CCOC(=O)[C@H](C)O 26157 [0,1,0,0,0,0|0,0,0]=1 89 B7R0.5 CCOC(=S)C(N)=O 24587 [0,1,0,0,0,0|1,1,1]=4 90 B7R0.7 C=C(OCC)OCC 32224 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.7 CC#CC(=O)OCC 45161 [0,1,0,0,0,0|0,0,1]=2 92 B7R0.7 CCCC(N)CCC 12594 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.7 CCOC(=O)C=[N+]=[N-] 23911 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.7 CCOC(=O)CCBr 25427 [0,1,0,0,0,0|0,0,0]=1 95 B7R0.7 CCOC(=O)CCN 10927 [0,1,0,0,0,0|0,0,0]=1 96 B7R0.7 CCOC(=O)CNC 10917 [0,1,0,0,0,0|0,0,0]=1 97 B7R0.7 CCOC(=O)CNN 2459 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.7 CCOC(=O)N=C=O 35995 [0,1,0,0,0,0|1,0,1]=3 99 B7R0.7 CCOC(=O)N=C=S 11182 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.7 CCOC(=O)\C=C\I 11670 [0,1,0,0,0,0|0,0,2]=3 101 B7R0.7 CCOP(C)OCC 35787 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.7 O=C(CCCl)CCCl 2482 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [0,1,0,0,0,0|0,0,1]=2 104 B7R0.10 C=C(CBr)C(=O)OC 17371 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.10 C=C(CCl)C(=O)OC 17372 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.10 C=C(CO)C(=O)OC 17373 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.10 CCC(Br)C(=O)OC 20191 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.10 COC(=O)C(Cl)CCl 24797 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.10 COC(=O)C(N)CO 10908 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.10 COC(=O)C(O)OC 17980 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.10 COC(=O)[C@@H](N)CO 10895 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.10 COC(=O)[C@@H](N)CS 10881 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.10 COC(=O)[C@H](N)CO 10896 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.10 CON(C)C(=O)CCl 18657 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.11 CCO[C@@](C)(O)CO 25593 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.11 CCO[C@](C)(O)CO 25595 [0,1,0,0,0,0|1,0,2]=4 118 B7R1.1 BrCC1CCCO1 6941 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 BrCC1OCCO1 31979 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.1 CCC1=NCCO1 12821 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.1 CCN1CCCC1 36488 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.1 ClCC1=NCCN1 35031 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.1 ClCC1CCCO1 7061 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.1 ClCC1OCCO1 31981 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.1 NCC1CCCO1 6998 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.1 NC[C@@H]1CCCO1 14101 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.1 NC[C@@H]1CCCO1 17261 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 NC[C@H]1CCCO1 7001 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 OCC1CCCO1 7086 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 OC[C@@H]1CCCO1 26288 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.1 OC[C@H]1CCCO1 26287 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.2 CC1=CC(=O)CC1 25608 [0,0,0,1,0,0|1,0,1]=3 133 B7R1.2 CC1=CCC(=O)O1 16859 [0,0,0,1,0,0|0,0,2]=3 134 B7R1.2 CC1COC(=O)C1 35360 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.2 CC1COC(=O)O1 27468 [0,0,0,1,0,0|1,0,0]=2 136 B7R1.2 CN1CCC(=O)C1 20342 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [0,0,0,1,0,0|0,0,0]=1 138 B7R1.2 C[C@@H]1COC(=O)O1 6059 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.2 C[C@H]1COC(=O)O1 6716 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.2 NC1CNC(=O)C1 31656 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.2 N[C@@H]1COC(=O)C1 14757 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 N[C@H]1COC(=O)C1 14758 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 O=C1C=CC(O)O1 25366 [0,0,0,1,0,0|1,0,2]=4 144 B7R1.2 O=C1CC(O)CO1 35886 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.2 O=C1CCC(=O)N1 13765 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 O=C1CCC(=O)O1 21337 [0,0,0,1,0,0|1,0,1]=3 147 B7R1.2 O=C1C[C@@H](O)CN1 6351 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.2 O=C1C[C@@H](O)CO1 6051 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.2 O=C1C[C@@H](S)CN1 26289 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.2 O=C1C[C@H](O)CN1 19064 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.2 O=C1C[C@H](O)CO1 6050 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 BrC1=CCCCC1 29716 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.3 BrC1CCCCN1 6734 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 CC1CCCCN1 7704 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 CC1CNCCO1 14222 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 CN1CCCCC1 7703 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 C[C@@H]1CCCCN1 14248 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 C[C@@H]1CNCCO1 15013 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 C[C@@H]1CNCCO1 17029 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 C[C@H]1CCCCN1 15597 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.3 C[C@H]1CNCCO1 11359 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 C[C@H]1CNCCO1 17028 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.3 ClC1CCCCN1 6738 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 NC1CCCCN1 6729 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 NN1CCCCC1 23024 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.3 NN1CCCCC1 23261 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.3 O=C1CCCCN1 16892 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.3 O=C1CCCCO1 20208 [0,0,0,1,0,0|0,0,0]=1 169 B7R1.3 O=C1CCCNC1 24362 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.3 O=C1CCCNC1 26624 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.3 O=C1CCCOC1 15125 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.3 O=C1CCCOC1 19912 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.3 O=C1CCNCC1 6789 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 O=C1CCNCC1 7756 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.3 O=C1CCOCC1 9557 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.3 O=C1CCSCC1 18603 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.3 O=C1CNCCN1 23093 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.3 O=C1CNCCN1 8557 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.3 O=C1CNCCO1 27815 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.3 O=C1COCCN1 25157 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 O=C1COCCO1 14989 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.3 O=C1NCCCN1 12422 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.3 O=S1OCCCO1 21949 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.3 OC1CCCCN1 6787 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.3 [O-]B1OCCCO1 44993 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.4 CC1CCNC1=O 18075 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.4 CC1OCCC1=O 7120 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.4 CC1OCCC1S 9972 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.4 CN1CCCC1=O 17618 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.4 NC1CCOC1=O 6982 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.4 NC1CCSC1=O 26584 [0,0,0,1,0,0|1,1,0]=3 192 B7R1.4 NN1CCCC1=O 26204 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.4 N[C@@H]1CCNC1=O 24096 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.4 N[C@@H]1CCOC1=O 14743 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.4 N[C@@H]1CONC1=O 5763 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 N[C@H]1CCOC1=O 13830 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.4 O=C1NCC[C@@H]1O 26213 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.4 O=C1OCCC1Br 10714 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O 24549 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.22 COC(=O)C1CC1 11835 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.22 COC(=O)C1CO1 35239 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.22 COC(=O)[C@H]1CO1 36331 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.22 O=C(CBr)C1CC1 21100 [0,0,0,1,0,0|2,0,0]=3 204 B4R0.1 C#CC(=O)O 23201 [2,0,0,0,0,0|0,0,2]=4 205 B4R0.1 C#CC(C)=O 2024 [2,0,0,0,0,0|0,0,2]=4 206 B4R0.1 C=C(C)CCl 20429 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 C=CC(=O)O 21090 [2,0,0,0,0,0|0,0,2]=4 208 B4R0.1 CC(=O)CBr 24199 [2,0,0,0,0,0|1,0,0]=3 209 B4R0.1 CC=C(C)C 2026 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.1 CCB(O)O 7960 [2,0,0,0,0,0|1,0,1]=4 211 B4R0.1 CCC(C)Br 3753 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.1 CCC(C)I 3940 [2,0,0,0,0,0|1,0,1]=4 213 B4R0.1 CCC(C)O 6718 [2,0,0,0,0,0|0,0,2]=4 214 B4R0.1 CCC([NH-])=O 10938 [2,0,0,0,0,0|1,0,0]=3 215 B4R0.1 CCN(C)C 10322 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 CCS(=O)[O-] 24643 [2,0,0,0,0,0|1,0,1]=4 217 B4R0.1 CC[C@@H](C)N 6741 [2,0,0,0,0,0|1,0,1]=4 218 B4R0.1 CC[C@@H](C)O 6717 [2,0,0,0,0,0|0,0,2]=4 219 B4R0.1 CC[C@H](C)N 6743 [2,0,0,0,0,0|1,0,1]=4 220 B4R0.1 COC(C)=N 2122 [2,0,0,0,0,0|1,0,0]=3 221 B4R0.1 C\C=C(/C)Br 29073 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.1 NC(=O)CBr 31995 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.1 NC(=O)CI 12542 [2,0,0,0,0,0|2,0,0]=4 224 B4R0.1 NCC(=O)O 18924 [2,0,0,0,0,0|1,0,0]=3 225 B4R0.1 NCC(=O)[O-] 26210 [2,0,0,0,0,0|1,0,1]=4 226 B4R0.1 NCC(=O)[O-] 9921 [2,0,0,0,0,0|1,0,1]=4 227 B4R0.1 NCC(N)=O 13019 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.1 O=C(Cl)CBr 24880 [2,0,0,0,0,0|2,0,0]=4 229 B4R0.1 O=C(O)CBr 13144 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.1 O=CC(=O)O 19965 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.2 C#COCC 12592 [2,0,0,0,0,0|0,0,2]=4 232 B4R0.2 C=COCC 18645 [2,0,0,0,0,0|0,0,1]=3 233 B4R0.2 CCCCBr 3752 [2,0,0,0,0,0|1,0,1]=4 234 B4R0.2 CCCCI 3939 [2,0,0,0,0,0|1,0,1]=4 235 B4R0.2 CCN=C=O 18636 [2,0,0,0,0,0|1,0,1]=4 236 B4R0.2 CCNCC 14036 [2,0,0,0,0,0|1,0,0]=3 237 B4R0.2 CCNCC 17237 [2,0,0,0,0,0|1,0,0]=3 238 B4R0.2 CCOCCl 18683 [2,0,0,0,0,0|1,0,0]=3 239 B4R0.2 CC[B+]CC 26091 [2,0,0,0,0,0|1,0,0]=3 240 B4R0.2 COCCBr 2138 [2,0,0,0,0,0|1,0,1]=4 241 B4R0.2 COCCCl 1911 [2,0,0,0,0,0|1,0,1]=4 242 B4R0.2 COCCO 35138 [2,0,0,0,0,0|1,0,1]=4 243 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|0,0,1]=3 244 B4R0.2 C\C=C\CO 21075 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(=O)\C=C(/C)N 12810 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.2 CC(C)O[N+](=O)[O-] 17254 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.2 CC(Cl)OC(=O)Cl 17418 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.2 CC(O)CC(=O)O 13860 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.2 C[C@@H](N)CC(=O)O 30087 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.2 C[C@H](N)CC(=O)O 13856 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 CCC(=O)C(=O)O 24837 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.3 CCC(=O)C(=O)[O-] 17406 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.3 CCC(Br)C(=O)O 14564 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.3 CCC(N)C(=O)O 27168 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.3 CCN(C)C(=O)Cl 16066 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.3 CC[C@@H](C)C(=O)O 32186 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 CC[C@@H](N)C(=O)O 13431 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.3 CC[C@@H](N)C(=O)O 15607 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 CC[C@H](Br)C(=O)O 8279 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 CC[C@H](C)C(=O)O 36048 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 CC[C@H](C)C(=O)O 36048 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 CC[C@H](N)C(=O)O 16473 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.3 CC[C@H](N)C(=O)O 16477 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.3 CC[C@H](N)C(N)=O 28166 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.3 CC[C@H](N)C(N)=O 5725 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.3 CC[C@H](O)C(=O)O 8265 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.3 COC(=O)C(C)=O 35415 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.3 CON(C)C(C)=O 12775 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.4 C=C(C)CNCC 10272 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.4 C=CCOC(=O)Cl 20427 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.4 CC(=O)CCCCl 17207 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.4 CC(=O)NCCN 19141 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.4 CC(=O)OCCBr 19081 [1,1,0,0,0,0|0,0,0]=2 275 B6R0.4 CCCCC(=O)Cl 21358 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.4 CCCCC(=O)[O-] 27064 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.4 CCNCC(=O)O 23122 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.4 CC\C=C\C(C)=O 32068 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.4 CO\C=C\C(C)=O 28206 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.4 O=C(Cl)CCCCl 32347 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.4 O=C(O)CCCBr 3754 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.4 O=C(O)CCCS 36247 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.6 CCCCCCBr 3776 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.6 CCCCCCI 3945 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.6 CCCCNCC 10254 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.6 CCCCOCC 12525 [1,1,0,0,0,0|0,0,1]=3 287 B6R0.6 CCCOCCCl 14348 [1,1,0,0,0,0|0,0,1]=3 288 B6R0.6 CCC\C=C\CO 18917 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.6 CCOCCC#N 24829 [1,1,0,0,0,0|0,0,2]=4 290 B6R0.6 CCOCCCO 1937 [1,1,0,0,0,0|0,0,1]=3 291 B6R0.6 COCCOCCl 10093 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.6 ClCCOCCCl 18689 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.6 NCCOCCN 31824 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.6 NCCOCCN 31825 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.8 COP(=O)(Cl)OC 19321 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.9 CCN(CC)CC 18205 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.9 CC[O+](CC)CC 36159 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.9 CC[O+](CC)CC 8099 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.9 CC[SiH](CC)CC 12847 [1,1,0,0,0,0|1,1,0]=4 300 B8R0.2 COC(=O)[C@@H](N)C(C)C 10897 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 19049 [0,2,0,0,0,0|2,0,0]=4 302 B8R0.2 COC(=O)[C@H](N)C(C)C 10898 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.5 CC(C)OC(=O)OCCl 28997 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [0,2,0,0,0,0|0,0,1]=3 305 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,2,0,0,0,0|0,0,0]=2 306 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,2,0,0,0,0|0,0,1]=3 307 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [0,2,0,0,0,0|0,0,0]=2 308 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [0,2,0,0,0,0|0,0,0]=2 309 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [0,2,0,0,0,0|0,0,0]=2 310 B8R0.5 CCOC(=O)C[N+](=O)[O-] 13723 [0,2,0,0,0,0|1,0,0]=3 311 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [0,2,0,0,0,0|0,0,1]=3 312 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [0,2,0,0,0,0|0,0,1]=3 313 B8R0.19 CCC(=O)CC(=O)CC 21961 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.19 CCC(=O)CC(=O)OC 18684 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.19 COC(=O)CC(O)CCl 21114 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [0,2,0,0,0,0|2,0,0]=4 319 B8R0.19 COC(=O)OC(=O)OC 13758 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.23 CC(C)OC(=O)[C@H](C)N 20221 [0,2,0,0,0,0|0,0,0]=2 321 B8R0.23 CC(C)OC(=O)[C@H](C)N 24811 [0,2,0,0,0,0|0,0,0]=2 322 B8R0.24 C=CC(=O)OC(C)(C)C 15929 [0,2,0,0,0,0|0,0,2]=4 323 B8R0.24 CC(C)(C)OC(=O)CN 11144 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.24 CC(C)(C)OC(=O)CN 35328 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.24 CC(C)(C)OC(=O)NN 27027 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.24 CNC(=O)OC(C)(C)C 24627 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.1 C=COC(=O)CCCC 13121 [0,2,0,0,0,0|0,0,2]=4 328 B8R0.1 CCOC(=O)CCC#N 31621 [0,2,0,0,0,0|0,0,0]=2 329 B8R0.1 CCOC(=O)CCCBr 3949 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.1 CCOC(=O)CCCI 35852 [0,2,0,0,0,0|0,0,0]=2 331 B8R0.1 CCOC(=O)NCCCl 23479 [0,2,0,0,0,0|0,0,0]=2 332 B8R0.1 CCOC(=O)\C=C\C#N 25927 [0,2,0,0,0,0|0,0,2]=4 333 B8R0.1 CCOC(=O)\C=C\CBr 35147 [0,2,0,0,0,0|0,0,1]=3 334 B8R0.3 C=C(CO)C(=O)OCC 32236 [0,2,0,0,0,0|0,0,1]=3 335 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,2,0,0,0,0|0,0,1]=3 337 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,2,0,0,0,0|0,0,0]=2 338 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [0,2,0,0,0,0|0,0,0]=2 339 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [0,2,0,0,0,0|0,0,0]=2 340 B8R0.6 C=CC(=O)OCCCC 21089 [0,2,0,0,0,0|0,0,2]=4 341 B8R0.6 CCCSCC(=O)OC 28955 [0,2,0,0,0,0|1,1,0]=4 342 B8R0.6 COC(=O)CCCCN 31883 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.8 C=C(C)C(=O)OCCCl 35876 [0,2,0,0,0,0|0,0,1]=3 344 B8R0.8 C=C(C)C(=O)OCCO 35748 [0,2,0,0,0,0|0,0,1]=3 345 B8R0.14 CCOC(=O)C(C)(C)N 16478 [0,2,0,0,0,0|0,0,0]=2 346 B8R0.14 CCOC(=O)C(C)(F)F 35783 [0,2,0,0,0,0|0,0,0]=2 347 B8R0.14 CCOC(=O)C(F)(F)Br 16953 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.14 CCOC(=O)C(F)(F)Cl 12573 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.14 CCOC(=O)C(F)(F)F 12576 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.22 C#CC(OCC)OCC 23104 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.22 CCOC(C#N)OCC 36046 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.22 CCOC(CBr)OCC 9973 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.22 CCOC(CC)OCC 32331 [0,2,0,0,0,0|0,0,2]=4 354 B8R0.22 CCOC(CCl)OCC 18626 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.22 CCOC(CN)OCC 21113 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.22 CCO[SiH](CC)OCC 10815 [0,2,0,0,0,0|0,1,1]=4 357 B8R0.30 CCOP(=S)([S-])OCC 32007 [0,2,0,0,0,0|1,1,0]=4 358 B8R0.30 CCOP(C)(=O)OCC 44741 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.13 CC[C@](C)(N)C(=O)OC 30388 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.20 CCN(CC)C(=O)CCl 32343 [0,2,0,0,0,0|2,0,0]=4 361 B6R1.2 BrC1=CCCC1 29715 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.2 CB1NCCO1 9360 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.2 CC1=NCCC1 9412 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.2 CC1=NCCN1 10179 [1,0,0,1,0,0|2,0,0]=4 365 B6R1.2 CC1CCCO1 10841 [1,0,0,1,0,0|1,0,1]=4 366 B6R1.2 NC1=NCCC1 32058 [1,0,0,1,0,0|2,0,0]=4 367 B6R1.2 O=C1C=CCC1 9803 [1,0,0,1,0,0|1,0,1]=4 368 B6R1.2 O=C1CCCC1 30304 [1,0,0,1,0,0|1,0,0]=3 369 B6R1.2 O=C1CCCN1 19110 [1,0,0,1,0,0|1,0,0]=3 370 B6R1.2 O=C1CCNC1 21931 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.2 O=C1CCOC1 15127 [1,0,0,1,0,0|2,0,0]=4 372 B6R1.2 O=C1CCSC1 5575 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.2 O=C1CNCN1 23395 [1,0,0,1,0,0|2,0,0]=4 374 B6R1.2 O=C1NCCO1 8624 [1,0,0,1,0,0|1,0,0]=3 375 B6R1.2 O=C1NCCS1 14582 [1,0,0,1,0,0|1,1,0]=4 376 B6R1.2 O=S1CCCC1 12544 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.2 O=S1OCCO1 1901 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.2 S=C1CCCN1 20272 [1,0,0,1,0,0|1,1,0]=4 379 B6R1.5 NC1CC(=O)C1 16442 [1,0,0,1,0,0|2,0,0]=4 380 B6R1.11 CC(=O)C1CC1 16205 [1,0,0,1,0,0|1,0,0]=3 381 B6R1.11 NC(=O)C1CC1 21401 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.11 O=C(Cl)C1CC1 10555 [1,0,0,1,0,0|2,0,0]=4 383 B6R1.11 O=C(O)C1CC1 10557 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.1 C1=COCCC1 9508 [1,0,0,1,0,0|0,0,1]=3 385 B6R1.1 C1CCNCC1 21964 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.1 C1CCNCC1 7701 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.1 C1CCOCC1 9509 [1,0,0,1,0,0|0,0,1]=3 388 B6R1.1 C1CCSCC1 10562 [1,0,0,1,0,0|0,1,1]=4 389 B6R1.1 C1COCCN1 15002 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.1 C1COCCN1 18231 [1,0,0,1,0,0|1,0,1]=4 391 B8R1.1 O=C1C=C[C@@H](CO)O1 7063 [0,1,0,1,0,0|0,0,2]=4 392 B8R1.1 O=C1CCC(CO)N1 21689 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.1 O=C1CCC(CO)O1 21691 [0,1,0,1,0,0|0,0,0]=2 394 B8R1.1 O=C1CC[C@@H](CBr)N1 13850 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.1 O=C1CC[C@@H](CO)N1 13847 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [0,1,0,1,0,0|0,0,0]=2 397 B8R1.1 O=C1CC[C@H](CBr)N1 13849 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.1 O=C1CC[C@H](CO)N1 13848 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.1 O=C1CC[C@H](CO)O1 21692 [0,1,0,1,0,0|0,0,0]=2 400 B8R1.1 O=C1C[C@H](CF)CO1 29192 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.1 O=C1N[C@@H](CI)CO1 19948 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.1 O=C1N[C@H](CO)CO1 26420 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.1 O=C1OCC(CO)O1 36276 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.4 CN1CCNC(=O)C1 23318 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 24849 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 35396 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.4 C[C@H]1CNC[C@@H](C)O1 16624 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.4 NC1=CC(=O)CCC1 14449 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.4 NC1CCNC(=O)C1 22226 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.4 O=C1CCCC(=O)C1 11104 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.4 O=C1CCCC(=O)O1 36227 [0,1,0,1,0,0|0,0,1]=3 412 B8R1.4 O=C1CCNC(=O)C1 22543 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.4 O=C1COCC(=O)O1 24329 [0,1,0,1,0,0|1,0,1]=4 414 B8R1.18 CC1=C(C)OC(=O)O1 2328 [0,1,0,1,0,0|0,0,2]=4 415 B8R1.18 CC1=NC(C)OC1C 8654 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.18 CC1CC(=O)N(C)C1 24945 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.18 N[C@@H]1CC(=O)OC1=O 17187 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.40 NCC(=O)NC1CC1 16649 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.51 CC1(C)CCC(=O)N1 22248 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.51 CC1(C)CCC(=O)O1 25722 [0,1,0,1,0,0|0,0,0]=2 421 B8R1.51 CC1(C)CNC(=O)C1 25550 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.51 CC1(C)CNC(=O)N1 34122 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.51 CC1(C)OCC(=O)O1 21008 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.2 CC[C@@H]1COCCN1 11361 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.2 CC[C@@H]1COCCN1 17027 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.2 CC[C@H]1CNCCO1 11357 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.2 CC[C@H]1CNCCO1 17498 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.2 CC[C@H]1COCCN1 11362 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.2 CC[C@H]1COCCN1 17024 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.2 NOC1CCCCO1 13867 [0,1,0,1,0,0|0,0,2]=4 431 B8R1.2 O=CC1CCCCC1 3082 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.2 O=CC1CCCCN1 18309 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.2 O=CC1CCCCN1 6773 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.2 O=CN1CCCCC1 7728 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.2 OCC1CCCCO1 9734 [0,1,0,1,0,0|0,0,2]=4 436 B8R1.3 CN1CCC(=O)CC1 8508 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.3 O=C1CCC(=O)CC1 13686 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.3 O=C1CCC(=O)NC1 20071 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.3 O=C1CCC(O)CN1 20072 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.3 O=C1CC[C@@H](O)CN1 20077 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.3 O=C1CC[C@H](O)CN1 20075 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.5 CC1CCCCC1=O 15725 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.5 CC1CNCCC1=O 15830 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.5 CN1CCNCC1=O 23102 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.5 NN1CCCCC1=O 18113 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.5 N[C@H]1CCCNC1=O 17890 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.5 O=C1CCCCC1=O 13287 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.5 O=C1CCCCC1Br 17636 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.5 O=C1CCNCC1Br 14523 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.5 O=C1CCOCC1F 26608 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.22 O=C1CCCCCC1 15555 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.22 O=C1CCCCCN1 32271 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.22 O=C1CCCCCO1 15924 [0,1,0,1,0,0|0,0,0]=2 454 B8R1.22 O=C1CCCNCC1 17662 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.38 COC(=O)C1CCC1 23839 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.38 COC(=O)C1CCN1 23978 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.38 COC(=O)C1CNC1 18800 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.38 COC(=O)C1CNC1 23516 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.50 CC1C(=O)CCC1=O 2206 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.50 CC1CCN(C)C1=O 24944 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.50 CN1CCC(Br)C1=O 35509 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.50 CN1CCN(C)C1=O 7604 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 5782 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.37 CCOC(=O)C1CC1 11840 [0,1,0,1,0,0|0,0,0]=2 465 B8R1.37 N#CCC(=O)C1CC1 22387 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.54 CC(=O)C(=O)C1CC1 14769 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.8 BrCCC1OCCO1 35931 [0,1,0,1,0,0|0,0,2]=4 468 B8R1.8 NCCC1OCCO1 16803 [0,1,0,1,0,0|0,0,2]=4 469 B8R1.39 COC(=O)C1(Br)CC1 44770 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.39 COC(=O)C1(C)CC1 23210 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.72 O=S1(=O)CCCCN1 33754 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.72 O=S1(=O)CCCCO1 35222 [0,1,0,1,0,0|1,0,0]=3