0 B7R0.3 C=CCOC(=O)OC 26330 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CC(CO)CCCO 25460 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 CCCCC(Br)CBr 3891 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 COC(=O)CCC#N 12831 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 COC(=O)CCC=O 29717 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 COC(=O)\C=C\CBr 26000 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.3 COC(=O)\C=C\CBr 26406 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.3 CO\C=C\C(=O)OC 26434 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 CSCC[C@@H](N)CO 12299 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CSCC[C@H](N)CO 25150 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 C#CC(=O)OCC 4070 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 C=CC(=O)OCC 24719 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 CC#CC(=O)OC 12783 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.1 CCC(C)CCO 35939 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCOC(=N)CCl 44863 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCOC(=O)C#N 26282 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCOC(=O)C=O 27307 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CCOC(=O)CF 23757 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=O)CN 10926 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)NO 12451 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CNCC(=O)OC 10901 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 COC(=O)CCBr 19970 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 COC(=O)CCN 10900 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 O=C(CBr)CCBr 35308 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 C#CCCC(=O)O 32190 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 C=C(C)CNCC 10272 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 C=CCCC(=O)O 20009 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 CC(=O)CCCCl 17207 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 CC(=O)NCCN 19141 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC(=O)OCCBr 19081 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CC(Br)CCCBr 12546 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCCB(O)O 1765 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCCCC(=O)Cl 21358 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.4 CCCCC(=O)[O-] 27064 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 CCCC[C@@H](C)N 6753 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CCCC[C@@H](C)O 6730 [1,0,0,0,0,0|0,0,2]=3 37 B6R0.4 CCCC[C@H](C)N 6750 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.4 CCCC[C@H](C)O 6732 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.4 CCNCC(=O)O 23122 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 CC\C=C\C(C)=O 32068 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.4 CN(C)CCCCl 20698 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CNCCC(C)C 16229 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CO\C=C\C(C)=O 28206 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 O=C(Cl)CCCCl 32347 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 O=C(O)CCCBr 3754 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 O=C(O)CCCS 36247 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 BrCCCCCBr 3909 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 C#CCCCCC 13058 [1,0,0,0,0,0|0,0,3]=4 49 B6R0.6 CC#CCCCO 13089 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.6 CCCC#CCO 13064 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.6 CCCCCC=O 3077 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.6 CCCCCCBr 3776 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCCCCI 3945 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CCCCNCC 10254 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.6 CCCCOCC 12525 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.6 CCCOCCCl 14348 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CCC\C=C\CO 18917 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 CCOCCC#N 24829 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 CCOCCCO 1937 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.6 COCCCCCl 1935 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 COCCCCO 1938 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 COCCOCCl 10093 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 ClCCCCCBr 15271 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 ICCCCCI 3853 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 OCCCCCBr 22989 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.1 C=COC(=O)CCCC 13121 [0,1,0,0,0,0|0,0,2]=3 67 B8R0.1 CCOC(=O)CCC#N 31621 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.1 CCOC(=O)CCCBr 3949 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.1 CCOC(=O)CCCI 35852 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.1 CCOC(=O)NCCCl 23479 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.1 CCOC(=O)\C=C\CBr 35147 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.3 C=CC[C@@H](N)C(=O)OC 30168 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.6 C=CC(=O)OCCCC 21089 [0,1,0,0,0,0|0,0,2]=3 77 B8R0.6 CCCSCC(=O)OC 28955 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.6 COC(=O)CCCCN 31883 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.8 C=C(C)C(=O)OCCCl 35876 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.8 C=C(C)C(=O)OCCO 35748 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.9 COC(=O)CCC(=O)Cl 13239 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.9 NCC(=O)CCC(=O)O 29927 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.11 CCN(CC)CCCCl 28210 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.19 CCC(=O)CC(=O)CC 21961 [0,1,0,0,0,0|0,0,1]=2 85 B8R0.19 CCC(=O)CC(=O)OC 18684 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.19 COC(=O)CC(=O)CCl 11042 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.19 COC(=O)CC(O)CCl 21114 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.1 O=C1CCC(CO)N1 21689 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.1 O=C1CCC(CO)O1 21691 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.1 O=C1CC[C@@H](CBr)N1 13850 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.1 O=C1CC[C@@H](CO)N1 13847 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.1 O=C1CC[C@H](CBr)N1 13849 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.1 O=C1CC[C@H](CO)N1 13848 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.1 O=C1CC[C@H](CO)O1 21692 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.1 O=C1C[C@H](CF)CO1 29192 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.1 O=C1N[C@@H](CI)CO1 19948 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.1 O=C1N[C@H](CO)CO1 26420 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.1 O=C1OCC(CO)O1 36276 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.2 BrCC1CCCCC1 3103 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 CCC1CCCCN1 6758 [0,0,0,1,0,0|1,0,1]=3 105 B8R1.2 CCN1CCCCC1 7713 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.2 CCN1CCNCC1 8562 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.2 CC[C@@H]1CCCCN1 15599 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.2 CC[C@@H]1COCCN1 11361 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 CC[C@@H]1COCCN1 17027 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 CC[C@H]1CCCCN1 15598 [0,0,0,1,0,0|1,0,1]=3 111 B8R1.2 CC[C@H]1CNCCO1 11357 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.2 CC[C@H]1CNCCO1 17498 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.2 CC[C@H]1COCCN1 11362 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 CC[C@H]1COCCN1 17024 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 ClCC1CCCCC1 9647 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 NCC1CCCCC1 20540 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 NCC1CCCCN1 6725 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.2 OCC1CCCCC1 3098 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.2 OCC1CCCCN1 6779 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 OCC1CCCCO1 9734 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.3 CN1CCC(=O)CC1 8508 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.3 CN1CCC(Cl)CC1 2461 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.3 CN1CCC(Cl)CC1 6735 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.3 CN1CCC(N)CC1 3981 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.3 CN1CCC(N)CC1 7619 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.3 CN1CCC(O)CC1 2460 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.3 CN1CCN(C)CC1 8569 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.3 CN1CCN(N)CC1 8577 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.3 C[C@H]1CC[C@H](N)CC1 20721 [0,0,0,1,0,0|1,0,1]=3 130 B8R1.3 N[C@H]1CC[C@@H](N)CC1 15131 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.3 N[C@H]1CC[C@@H](O)CC1 20492 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24009 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24394 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.3 N[C@H]1CC[C@H](N)CC1 15132 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.3 N[C@H]1CC[C@H](O)CC1 19763 [0,0,0,1,0,0|1,0,2]=4 136 B8R1.3 N[C@H]1CC[C@H](O)CC1 5726 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.3 O=C1CCC(=O)CC1 13686 [0,0,0,1,0,0|1,0,1]=3 138 B8R1.3 O=C1CCC(=O)NC1 20071 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.3 O=C1CCC(O)CN1 20072 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.3 O=C1CC[C@@H](O)CN1 20077 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.3 O=C1CC[C@H](O)CN1 20075 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.3 OC1CCC(O)CC1 10843 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.3 O[C@H]1CC[C@H](O)CC1 24603 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.5 CC1=NCCCN1C 14029 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.5 CC1CCCCC1=O 15725 [0,0,0,1,0,0|0,0,0]=1 146 B8R1.5 CC1CCCCC1O 10840 [0,0,0,1,0,0|0,0,2]=3 147 B8R1.5 CC1CCCNC1C 6756 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.5 CC1CNCCC1=O 15830 [0,0,0,1,0,0|1,0,0]=2 149 B8R1.5 CC1CNCCN1C 9353 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.5 CN1CCNCC1=O 23102 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.5 NC1CCCCC1O 35400 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.5 NN1CCCCC1=O 18113 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.5 N[C@@H]1CCCC[C@@H]1O 15185 [0,0,0,1,0,0|1,0,2]=4 154 B8R1.5 N[C@@H]1CCCC[C@H]1N 5751 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.5 N[C@@H]1CCCC[C@H]1O 15120 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.5 N[C@@H]1CCCC[C@H]1O 15180 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.5 N[C@@H]1CCCC[C@H]1O 19553 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.5 N[C@H]1CCCC[C@@H]1N 11249 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.5 N[C@H]1CCCC[C@@H]1N 5753 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.5 N[C@H]1CCCC[C@@H]1O 15181 [0,0,0,1,0,0|1,0,2]=4 161 B8R1.5 N[C@H]1CCCC[C@@H]1O 17368 [0,0,0,1,0,0|1,0,2]=4 162 B8R1.5 N[C@H]1CCCC[C@H]1N 30381 [0,0,0,1,0,0|2,0,1]=4 163 B8R1.5 N[C@H]1CCCC[C@H]1O 14514 [0,0,0,1,0,0|1,0,2]=4 164 B8R1.5 N[C@H]1CCCC[C@H]1O 15183 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.5 N[C@H]1CCCC[C@H]1O 19551 [0,0,0,1,0,0|1,0,2]=4 166 B8R1.5 N[C@H]1CCCNC1=O 17890 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.5 O=C1CCCCC1=O 13287 [0,0,0,1,0,0|1,0,1]=3 168 B8R1.5 O=C1CCCCC1Br 17636 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.5 O=C1CCNCC1Br 14523 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.5 O=C1CCOCC1F 26608 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.22 N[C@@H]1CCCCNC1 22272 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.22 O=C1CCCCCC1 15555 [0,0,0,1,0,0|0,0,0]=1 173 B8R1.22 O=C1CCCCCN1 32271 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.22 O=C1CCCCCO1 15924 [0,0,0,1,0,0|1,0,0]=2 175 B8R1.22 O=C1CCCNCC1 17662 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.38 COC(=O)C1CCC1 23839 [0,0,0,1,0,0|1,0,0]=2 177 B8R1.38 COC(=O)C1CCN1 23978 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.38 COC(=O)C1CNC1 18800 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.38 COC(=O)C1CNC1 23516 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.40 NCC(=O)NC1CC1 16649 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.50 CC1C(=O)CCC1=O 2206 [0,0,0,1,0,0|1,0,1]=3 182 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 5782 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.52 OCC1(F)CCCC1 34878 [0,0,0,1,0,0|2,0,1]=4 184 B5R0.1 CC(=O)NCO 11062 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.1 CCCC(=N)N 16315 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 CCCC(=O)Cl 13241 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.1 CCCC(C)N 26317 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.1 CCC[C@@H](C)O 6721 [2,0,0,0,0,0|0,0,2]=4 189 B5R0.1 CCC[C@H](C)O 6719 [2,0,0,0,0,0|0,0,2]=4 190 B5R0.1 CCOC(C)=N 2020 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 CCSC(C)=S 12459 [2,0,0,0,0,0|1,1,0]=4 192 B5R0.1 CNCC(=O)O 10995 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 NCCC(=O)O 10996 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 NCCC(N)=O 18936 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 O=C(Cl)CCBr 31904 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 O=C(Cl)CCCl 13691 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 O=C(O)CCCl 13689 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 O=C(O)CCO 12598 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 O=C(O)CCS 36422 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.2 BrCCCCBr 3870 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.2 C#CCCCC 13057 [2,0,0,0,0,0|0,0,2]=4 202 B5R0.2 CCCCCI 3960 [2,0,0,0,0,0|1,0,0]=3 203 B5R0.2 CCCNCC 10270 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.2 CCOCCBr 12476 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 CCOCCCl 1932 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 CNCCCN 26279 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 CNCCCO 30456 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.2 CNCCNC 31976 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.2 COCCC=O 24309 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.2 COCCCBr 11240 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 COCCCCl 18632 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.2 COCCCN 16804 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.2 COCCCO 1936 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 COCCOC 18652 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.2 ClCCCCBr 36136 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.2 ICCCCI 3842 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.2 NCCCCN 25424 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.2 OCCCCCl 17292 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.2 OCCCCCl 23235 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.3 CCP(Cl)CC 6480 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.3 COC(=O)CN 10899 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.3 COC(=O)CS 10788 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.3 O=C(CO)CO 4053 [2,0,0,0,0,0|2,0,0]=4 224 B7R0.2 CC(C)NC(=O)CBr 17628 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.2 CCC(=O)CC(C)=O 24813 [1,1,0,0,0,0|0,0,1]=3 226 B7R0.2 COC(=O)CC(C)=O 24182 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.2 COC(=O)C[C@@H](C)O 13967 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.2 COC(=O)C[C@H](C)O 13965 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.5 CCOC(=O)C(C)F 13697 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.5 CCOC(=O)C(C)N 10928 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.5 CCOC(=O)C(F)F 29087 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.5 CCOC(=O)[C@H](C)N 12964 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.5 CCOC(=O)[C@H](C)O 26157 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.7 C=C(OCC)OCC 32224 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.7 CC#CC(=O)OCC 45161 [1,1,0,0,0,0|0,0,2]=4 237 B7R0.7 CCCC(N)CCC 12594 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.7 CCOC(=O)CCBr 25427 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.7 CCOC(=O)CCN 10927 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.7 CCOC(=O)CNC 10917 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.7 CCOC(=O)CNN 2459 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.7 O=C(CCCl)CCCl 2482 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.10 CCC(Br)C(=O)OC 20191 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.10 COC(=O)C(Cl)CCl 24797 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.10 COC(=O)C(N)CO 10908 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.10 COC(=O)C(O)OC 17980 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.10 COC(=O)[C@@H](N)CO 10895 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.10 COC(=O)[C@@H](N)CS 10881 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.10 COC(=O)[C@H](N)CO 10896 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.4 C#CCCCC(=O)O 35033 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.4 CC(=O)CCCCCl 29051 [1,1,0,0,0,0|0,0,0]=2 254 B7R0.4 CC(C)CCCCBr 35107 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.4 CCCCCC(=O)Cl 21359 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.4 CCCCCC(C)O 3094 [1,1,0,0,0,0|0,0,2]=4 257 B7R0.4 CCCCC[C@@H](C)O 6739 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.4 CCCCC[C@H](C)O 6736 [1,1,0,0,0,0|0,0,2]=4 259 B7R0.4 CCC\C=C\C(C)=O 18920 [1,1,0,0,0,0|0,0,1]=3 260 B7R0.4 COCCOC(=O)Cl 12774 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.4 NCCCCC(=O)O 18964 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.4 NCCCCC(=O)O 31880 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.4 O=C(Cl)CCCCBr 36169 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.4 O=C(Cl)CCCCCl 10919 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.4 O=C(O)CCCCBr 3843 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.6 C=C(C)CCC(C)=O 25282 [1,1,0,0,0,0|0,0,1]=3 267 B7R0.6 CC(=O)CCC(=O)O 11206 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.6 CC(=O)CNC(C)=O 16497 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.6 CC(C)CCC(=O)Cl 20015 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.6 C[C@H](O)CC[C@H](C)O 6345 [1,1,0,0,0,0|0,0,2]=4 271 B7R0.6 C[S+](C)CCC(=O)O 35248 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.8 CCCCS(=O)(=O)[O-] 25545 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.1 BrCCCCCCBr 3894 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.1 C#CCCCCCC 13059 [1,1,0,0,0,0|0,0,2]=4 275 B7R0.1 CCCCC#CCO 13065 [1,1,0,0,0,0|0,0,2]=4 276 B7R0.1 CCCCCCCBr 3775 [1,1,0,0,0,0|0,0,1]=3 277 B7R0.1 CCCCCCCI 3944 [1,1,0,0,0,0|0,0,1]=3 278 B7R0.1 CCCC\C=C\CO 18918 [1,1,0,0,0,0|0,0,1]=3 279 B7R0.1 CCOCCCCCl 1933 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.1 ICCCCCCI 3846 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.1 NCCCCCCO 13750 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.1 OCCCCCCCl 16921 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.5 CCCCCC(=O)OCC 15737 [0,2,0,0,0,0|0,0,0]=2 284 B9R0.5 CCOC(=O)CCCCBr 3955 [0,2,0,0,0,0|0,0,0]=2 285 B9R0.5 CCOC(=O)CCCCN 31885 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.5 CCOC(=O)CCN=C=O 30451 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.5 CCO\C=C\C(=O)OCC 12909 [0,2,0,0,0,0|0,0,2]=4 288 B9R0.5 CCO\C=C\C(=O)OCC 27595 [0,2,0,0,0,0|0,0,2]=4 289 B9R0.8 COC(=O)[C@@H](N)CCCN 18996 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.18 O=C(CCCCl)CCCCl 13593 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [0,2,0,0,0,0|0,0,0]=2 294 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.34 COCC(=O)CC(=O)OC 10473 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.35 CCC[C@@H](N)C(=O)OCC 34971 [0,2,0,0,0,0|0,0,0]=2 298 B9R0.35 CCC[C@H](N)C(=O)OCC 34972 [0,2,0,0,0,0|0,0,0]=2 299 B9R0.35 CCOC(=N)C(=O)OCC 35840 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,2,0,0,0,0|0,0,1]=3 302 B9R0.48 CCOC(=O)CC[N+](=O)[O-] 27586 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.6 CCOC(=O)C(=O)C(C)C 18179 [0,2,0,0,0,0|1,0,1]=4 304 B9R0.23 CCC(=O)C(C)CN(C)C 44881 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.23 COC(=O)[C@@H](N)CC(C)C 10892 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.23 COC(=O)[C@H](N)CC(C)C 10893 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 10894 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.27 COC(=O)C(Br)C(Br)CBr 13761 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.1 COC(=O)CCCC(=O)Cl 14033 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 30308 [0,2,0,0,0,0|0,0,2]=4 311 B9R0.46 CCC(C)CCCCCBr 18977 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.46 COC(=O)CCCCCBr 16910 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.47 C=C(C)C(=O)NCCCN 23321 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.47 C=C(F)C(=O)OCCCC 32379 [0,2,0,0,0,0|0,0,2]=4 315 B9R0.47 C=CCCCC(=O)N(C)C 36182 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.47 CN(C)C(=O)CCCCBr 36181 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.3 CC(C)(C)C(=O)OCCO 22262 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.13 CCCCC(CC)C(=O)Cl 35126 [0,2,0,0,0,0|0,0,1]=3 319 B9R0.13 CCCCC(CC)C(=O)[O-] 25433 [0,2,0,0,0,0|0,0,1]=3 320 B9R0.13 CCCC[C@H](CO)C(=O)O 14233 [0,2,0,0,0,0|1,0,1]=4 321 B9R0.26 COC(=O)CC(OC)OC 20228 [0,2,0,0,0,0|2,0,0]=4 322 B7R1.1 CCC1=NCCO1 12821 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.1 CCN1CCCC1 36488 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.2 CC1=CC(=O)CC1 25608 [1,0,0,1,0,0|0,0,2]=4 325 B7R1.2 CC1COC(=O)C1 35360 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.2 CC1COC(=O)O1 27468 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.2 CN1CCC(=O)C1 20342 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.2 C[C@@H]1COC(=O)O1 6059 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.2 C[C@H]1COC(=O)O1 6716 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.2 NC1CNC(=O)C1 31656 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.2 N[C@@H]1COC(=O)C1 14757 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.2 N[C@H]1COC(=O)C1 14758 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.2 O=C1CC(O)CO1 35886 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.2 O=C1C[C@@H](O)CN1 6351 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.2 O=C1C[C@@H](O)CO1 6051 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.2 O=C1C[C@@H](S)CN1 26289 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.2 O=C1C[C@H](O)CN1 19064 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.2 O=C1C[C@H](O)CO1 6050 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.3 BrC1=CCCCC1 29716 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.3 CN1CCCCC1 7703 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.3 NN1CCCCC1 23024 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.3 NN1CCCCC1 23261 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.3 O=C1CCCCN1 16892 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.3 O=C1CCCCO1 20208 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.3 O=C1CCCNC1 24362 [1,0,0,1,0,0|1,0,0]=3 347 B7R1.3 O=C1CCCNC1 26624 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.3 O=C1CCCOC1 15125 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.3 O=C1CCCOC1 19912 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.3 O=C1CCNCC1 6789 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.3 O=C1CCNCC1 7756 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.3 O=C1CCOCC1 9557 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.3 O=C1CCSCC1 18603 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.3 O=C1CNCCN1 23093 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.3 O=C1CNCCN1 8557 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 O=C1CNCCO1 27815 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.3 O=C1COCCN1 25157 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.3 O=C1COCCO1 14989 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.3 O=C1NCCCN1 12422 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.4 CC1CCNC1=O 18075 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.4 CC1OCCC1=O 7120 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.4 CN1CCCC1=O 17618 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.4 NC1CCOC1=O 6982 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.4 NC1CCSC1=O 26584 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.4 NN1CCCC1=O 26204 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.4 N[C@@H]1CCNC1=O 24096 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.4 N[C@@H]1CCOC1=O 14743 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.4 N[C@H]1CCOC1=O 13830 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.4 O=C1NCC[C@@H]1O 26213 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.4 O=C1OCCC1Br 10714 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O 24549 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.22 COC(=O)C1CC1 11835 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.22 COC(=O)C1CO1 35239 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.22 COC(=O)[C@H]1CO1 36331 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.22 O=C(CBr)C1CC1 21100 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.14 CC1(O)CCCC1 29357 [1,0,0,1,0,0|0,0,2]=4 377 B7R1.14 C[Si]1(C)CCCC1 28986 [1,0,0,1,0,0|1,1,0]=4 378 B7R1.14 O=S1(=O)CCCC1 35244 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.18 CC(O)C1CCC1 16458 [1,0,0,1,0,0|0,0,2]=4 380 B7R1.18 NC(=O)C1CNC1 29374 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.18 NC(=O)C1CNC1 29375 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.18 O=C(O)C1CCC1 14139 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.18 O=C(O)C1CCN1 19101 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.18 O=C(O)C1CCN1 24713 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.18 O=C(O)C1CCO1 18479 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.18 O=C(O)C1CNC1 10160 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.18 O=C(O)C1CNC1 30447 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.18 O=C(O)[C@@H]1CCN1 5731 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.20 O=C(O)CC1CC1 19703 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.24 C1CNCCNC1 8556 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.24 C1CNCCOC1 25220 [1,0,0,1,0,0|2,0,0]=4 392 B9R1.2 CCN1CCCC(Cl)C1 6737 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.2 CCN1CCCC(O)C1 7716 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.8 CCC[C@@H]1CCCCN1 15600 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.8 CCC[C@H]1CCCCN1 15602 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.8 COCC1CCCCN1 17613 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.8 ClCCN1CCCCC1 6742 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.8 ClCCN1CCCCC1 7730 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.8 N#CCC1=CCCCC1 12519 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.8 NCCC1CCCCO1 17887 [0,1,0,1,0,0|0,0,2]=4 401 B9R1.8 OCCC1CCCCN1 7711 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.12 CCCCN1CCCC1 14061 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.15 CCC1CCCOC1=O 26311 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.15 CN1CCCCC1CN 8033 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.15 CN1CCCCC1CO 8873 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.15 COC1COCCC1=O 24387 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.15 N#CC1CNCCC1=O 11491 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.15 N#CC1CNCCC1=O 16825 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.15 O=C1CCCCC1CO 20380 [0,1,0,1,0,0|0,0,0]=2 410 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 20488 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 20491 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.27 CCC1=C(C)CNC1=O 12392 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.27 CCC1C(=O)CCC1=O 35624 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.33 CCCN1CCCC1=O 9160 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.33 NCCN1CCNC1=O 23960 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.33 O=C1NCCN1CCCl 23441 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.33 O=C1NCCN1CCO 45197 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,1,0,1,0,0|0,0,1]=3 419 B9R1.49 CN1CCCC(=O)CC1 2442 [0,1,0,1,0,0|0,0,0]=2 420 B9R1.49 CN1CCCC(=O)CC1 2443 [0,1,0,1,0,0|0,0,0]=2 421 B9R1.49 CN1CCCC(N)CC1 35580 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.49 CN1CCCC(O)CC1 2444 [0,1,0,1,0,0|0,0,2]=4 423 B9R1.69 CC1CN(C)CCC1=O 14069 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.3 CC1C(=O)CCCC1=O 15384 [0,1,0,1,0,0|0,0,1]=3 425 B9R1.3 CN1CCCN(C)C1=O 16903 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.5 CN1CCCCCC1=O 36383 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.5 NC1CCCCNC1=O 20137 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.5 N[C@H]1CCCCNC1=O 14097 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.11 COC(=O)C1=CCCC1 2487 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.11 COC(=O)C1CCCO1 2380 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.11 COC(=O)C1CCNC1 18897 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.11 COC(=O)[C@@H]1CCCN1 10887 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.11 COC(=O)[C@@H]1CCNC1 20164 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.11 COC(=O)[C@H]1CCCN1 10888 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.11 NCC(=O)N1CCCC1 26419 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.11 NCC(=S)N1CCCC1 11506 [0,1,0,1,0,0|1,1,0]=4 438 B9R1.82 COC(=O)C1CC(=O)C1 27149 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.101 COC(=O)C(N)C1CC1 14421 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.1 CCN1CCC(=O)CC1 6784 [0,1,0,1,0,0|0,0,0]=2 441 B9R1.1 CCN1CCC(N)CC1 8027 [0,1,0,1,0,0|1,0,1]=4 442 B9R1.1 CCN1CCC(O)CC1 7715 [0,1,0,1,0,0|0,0,2]=4 443 B9R1.1 CN1CCC(CN)CC1 16879 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.1 CN1CCC(CO)CC1 8875 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 23334 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.1 CO[C@H]1CC[C@H](N)CC1 23335 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.1 O=C1CCC(CO)CC1 20341 [0,1,0,1,0,0|0,0,0]=2 448 B9R1.1 O=CC1CCC(=O)CC1 2083 [0,1,0,1,0,0|0,0,1]=3 449 B9R1.80 COC(=O)CNC1CC1 30154 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.89 O=CC1CCCCCC1 16219 [0,1,0,1,0,0|0,0,1]=3 451 B9R1.89 OCC1CCCCCC1 16220 [0,1,0,1,0,0|0,0,2]=4 452 B9R1.118 CCC1(C)CCNCC1 8039 [0,1,0,1,0,0|1,0,1]=4 453 B9R1.118 CCC1(O)CCCCC1 20382 [0,1,0,1,0,0|0,0,2]=4 454 B9R1.118 CCC1(O)CCCCC1 35497 [0,1,0,1,0,0|0,0,2]=4 455 B9R1.6 CC(N)C1=CCCCC1 36006 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.35 CC(C)[C@@H]1COC(=O)N1 8176 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.35 CC(C)[C@H]1COC(=O)N1 2450 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.35 O=C1CCC(C(=O)O)C1 11090 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.10 CC1(C)C=CC(=O)CC1 17152 [0,1,0,1,0,0|0,0,2]=4 460 B9R1.10 CC1(C)CCC(=O)CC1 30356 [0,1,0,1,0,0|0,0,0]=2 461 B9R1.10 CC1(C)CCC(N)CC1 17658 [0,1,0,1,0,0|1,0,1]=4 462 B9R1.10 NC1CCS(=O)(=O)CC1 18750 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.10 O=C1CCC(F)(F)CC1 29382 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.10 O=C1CCS(=O)(=O)CC1 18746 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.138 CC1(C)COC(=O)[C@@H]1O 35059 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.138 CC1(C)COC(=O)[C@H]1O 15870 [0,1,0,1,0,0|2,0,0]=4 467 B9R2.39 OC1CC2CCC1C2 21607 [0,0,0,2,0,0|0,0,2]=4 468 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 21608 [0,0,0,2,0,0|0,0,2]=4 469 B9R2.110 OC12CCC(CC1)C2 21609 [0,0,0,2,0,0|0,0,2]=4 470 B9R2.139 O=C1CCC2(CC2)N1 25552 [0,0,0,2,0,0|1,0,0]=3