0 B7R0.4 C#CCCCC(=O)O 35033 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C=CCNCC(=O)O 22903 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CC(=O)CCCCCl 29051 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 CC(=O)O\C=C\CBr 28187 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 CC(C)CCCCBr 35107 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CCCCCB(O)O 27260 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCCCC(=O)Cl 21359 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.4 CCCCCC(C)O 3094 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.4 CCCCC[C@@H](C)O 6739 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.4 CCCCC[C@H](C)O 6736 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.4 CCC\C=C\C(C)=O 18920 [0,0,0,0,0,0|0,0,2]=2 11 B7R0.4 CCO\C=C\C(=O)O 20958 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 COCCOC(=O)Cl 12774 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.4 NCCCCC(=O)O 18964 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.4 NCCCCC(=O)O 31880 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 O=C(Cl)CCCCBr 36169 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.4 O=C(Cl)CCCCCl 10919 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.4 O=C(O)CCCCBr 3843 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.4 C#CCCC(=O)O 32190 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 C=C(C)CNCC 10272 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 C=CCCC(=O)O 20009 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 CC(=O)CCCCl 17207 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CC(=O)NCCN 19141 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CC(=O)OCCBr 19081 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CC(Br)CCCBr 12546 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CCCCB(O)O 1765 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCCCC(=O)Cl 21358 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.4 CCCCC(=O)[O-] 27064 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.4 CCCC[C@@H](C)N 6753 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CCCC[C@@H](C)O 6730 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.4 CCCC[C@H](C)N 6750 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.4 CCCC[C@H](C)O 6732 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.4 CCNCC(=O)O 23122 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CC\C=C\C(C)=O 32068 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.4 CN(C)CCCCl 20698 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 CNCCC(C)C 16229 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CO\C=C\C(C)=O 28206 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.4 O=C(Cl)CCCCl 32347 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 O=C(O)CCCBr 3754 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 O=C(O)CCCS 36247 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 BrCCCCCBr 3909 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 C#CCCCCC 13058 [1,0,0,0,0,0|0,0,2]=3 42 B6R0.6 C#CCCCCO 13078 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 CC#CCCCO 13089 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 CCCCCC=O 3077 [1,0,0,0,0,0|0,0,0]=1 45 B6R0.6 CCCCCCBr 3776 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.6 CCCCCCI 3945 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.6 CCCCNCC 10254 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 CCCCOCC 12525 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.6 CCCOCCCl 14348 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.6 CCOCCC#N 24829 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 CCOCCCO 1937 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.6 COCCCCCl 1935 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.6 COCCCCO 1938 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.6 COCCOCCl 10093 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.6 ClCCCCCBr 15271 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 ICCCCCI 3853 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 N#CCCCCBr 26949 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 N#CCCCCCl 25473 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 O=CCCCCCl 27418 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.6 OCCCCCBr 22989 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.5 C#CC[C@@H](N)CC(=O)O 30075 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.5 C#CC[C@H](N)CC(=O)O 30067 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.5 C=CC[C@@H](N)CC(=O)O 30072 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.5 C=CC[C@H](N)CC(=O)O 30120 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.5 CCN\C(C)=C\C(C)=O 12816 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.5 COCC(C)OC(C)=O 4049 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.6 C#CC(O)CCCCC 11033 [0,1,0,0,0,0|0,0,3]=4 71 B8R0.6 C=CC(=O)OCCCC 21089 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.6 CCCSCC(=O)OC 28955 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.6 COC(=O)CCCCN 31883 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.7 CC(=O)OCCCCCl 13100 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.7 CCCCCCB(O)O 29486 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.7 CCCCCCC(C)=O 26418 [0,1,0,0,0,0|0,0,0]=1 77 B8R0.7 CCCCCCC(C)O 21480 [0,1,0,0,0,0|0,0,2]=3 78 B8R0.7 CCCCCC[C@@H](C)N 6754 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.7 CCCCCC[C@@H](C)O 6072 [0,1,0,0,0,0|0,0,2]=3 80 B8R0.7 CCCCCC[C@H](C)N 6748 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.7 CCCCCC[C@H](C)O 17259 [0,1,0,0,0,0|0,0,2]=3 82 B8R0.7 CCCCCC[C@H](C)O 6073 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.7 COCCOCC(=O)Cl 36078 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.7 COCCOCC(=O)O 31986 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.7 N=C(N)NCCCCN 15220 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.7 NCCCCCC(=O)O 35821 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.7 O=C(O)CCCCCBr 3777 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.8 CCCCC(N)B(O)O 33619 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.8 CSCCC(N)C(=O)O 20205 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.8 CSCC[C@H](N)C(=O)O 14349 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.8 CSCC[C@H](N)C(=O)O 18503 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.8 C[Se]CC[C@H](N)C(=O)O 13834 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.8 NCCCC(N)C(=O)O 36401 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.8 NCCC[C@@H](N)C(=O)O 12441 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.8 NCCC[C@H](N)C(=O)O 13024 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.8 NCCC[C@H](N)C(=O)O 21979 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.9 COC(=O)CCC(=O)Cl 13239 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] 14438 [0,1,0,0,0,0|3,0,0]=4 101 B8R0.9 NCC(=O)CCC(=O)O 29927 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.21 CCCCCS(=O)(=O)[O-] 25498 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.21 O=S(=O)(O)CCCCO 32076 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.28 CC(=O)CCC=C(C)C 35423 [0,1,0,0,0,0|0,0,2]=3 105 B8R0.28 CC(C)CCCC(=O)O 36049 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.28 CN(C)CCCC(=O)O 35953 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.28 O=C(O)CCCC(=O)O 18989 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.1 O=C1CCC(CO)N1 21689 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.1 O=C1CCC(CO)O1 21691 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.1 O=C1CC[C@@H](CBr)N1 13850 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.1 O=C1CC[C@@H](CO)N1 13847 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.1 O=C1CC[C@H](CBr)N1 13849 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.1 O=C1CC[C@H](CO)N1 13848 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.1 O=C1CC[C@H](CO)O1 21692 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.1 O=C1C[C@H](CF)CO1 29192 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.1 O=C1N[C@@H](CI)CO1 19948 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.1 O=C1N[C@H](CO)CO1 26420 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.1 O=C1OCC(CO)O1 36276 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.4 CC1CCNC(C)C1 6757 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 CC1CNCC(C)C1 7709 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.4 CC1CNCC(C)N1 8571 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 CN1CCCC(O)C1 6759 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.4 CN1CCNC(=O)C1 23318 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.4 C[C@@H]1CN(C)CCN1 35531 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 24849 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 35396 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [0,0,0,1,0,0|1,0,1]=3 129 B8R1.4 C[C@H]1CNC[C@@H](C)N1 35970 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.4 C[C@H]1CNC[C@@H](C)O1 16624 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.4 NC1=CC(=O)CCC1 14449 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.4 NC1CCCC(O)C1 12673 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.4 NC1CCNC(=O)C1 22226 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.4 N[C@@H]1CCC[C@H](O)C1 19468 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.4 N[C@H]1CCC[C@@H](N)C1 19481 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 N[C@H]1CCC[C@H](N)C1 19480 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.4 N[C@H]1CCC[C@H](O)C1 19472 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.4 O=C1CCCC(=O)C1 11104 [0,0,0,1,0,0|1,0,1]=3 139 B8R1.4 O=C1CCCC(=O)O1 36227 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.4 O=C1CCNC(=O)C1 22543 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.4 O=C1COCC(=O)C1 23922 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.4 OC1CCCC(O)C1 44853 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.7 CC(=O)C1CCCC1 16480 [0,0,0,1,0,0|0,0,0]=1 144 B8R1.7 CN(C)C1CCNC1 11210 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.7 CN(C)[C@@H]1CCNC1 24854 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.7 CN(C)[C@@H]1CCNC1 6304 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.7 CN(C)[C@H]1CCNC1 6306 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.7 O=C(Cl)C1CCCC1 13237 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.7 O=C(Cl)C1CCOC1 30317 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.7 O=C(O)C1CCCC1 14153 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.7 O=C(O)C1CCCN1 20613 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.7 O=C(O)C1CCCO1 7088 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.7 O=C(O)C1CCNC1 10439 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.7 O=C(O)C1CCNC1 16223 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.7 O=C(O)C1CCOC1 22077 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.7 O=C(O)[C@@H]1COCN1 16415 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.7 O=C(O)[C@@H]1CSCN1 8297 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.7 OB(O)C1CCCC1 7792 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.22 N[C@@H]1CCCCNC1 22272 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.22 O=C1CCCCCC1 15555 [0,0,0,1,0,0|0,0,0]=1 171 B8R1.22 O=C1CCCCCN1 32271 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.22 O=C1CCCCCO1 15924 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.22 O=C1CCCNCC1 17662 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.72 CC1(C)CCCNC1 10316 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.72 CC1(C)CCNCC1 36087 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.72 CC1(C)CCNCC1 8038 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.72 CC1(O)CCCCC1 20381 [0,0,0,1,0,0|0,0,2]=3 178 B8R1.72 CC1(O)CCCCC1 26390 [0,0,0,1,0,0|0,0,2]=3 179 B8R1.72 CC1(O)CCNCC1 17607 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.72 CC1(O)CCNCC1 30335 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.72 C[N+]1([O-])CCOCC1 16095 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.72 C[N+]1([O-])CCOCC1 16096 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.72 C[N+]1([O-])CCOCC1 18767 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.72 C[Si]1(C)CCCCC1 27252 [0,0,0,1,0,0|1,1,0]=3 185 B8R1.72 O=S1(=O)CCCCN1 33754 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.72 O=S1(=O)CCCCO1 35222 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.72 O=S1(=O)CCNCC1 10419 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.72 O=S1(=O)CCNCC1 10420 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.72 O=S1(=O)CCNCC1 30342 [0,0,0,1,0,0|3,0,0]=4 190 B5R0.1 CC(=O)NCO 11062 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 CCCC(=N)N 16315 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.1 CCCC(=O)Cl 13241 [2,0,0,0,0,0|1,0,0]=3 193 B5R0.1 CCCC(C)N 26317 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 CCC[C@@H](C)O 6721 [2,0,0,0,0,0|0,0,2]=4 195 B5R0.1 CCC[C@H](C)O 6719 [2,0,0,0,0,0|0,0,2]=4 196 B5R0.1 CCOC(C)=N 2020 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 CCSC(C)=S 12459 [2,0,0,0,0,0|1,1,0]=4 198 B5R0.1 CNCC(=O)O 10995 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 NCCC(=O)O 10996 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.1 NCCC(N)=O 18936 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.1 O=C(Cl)CCBr 31904 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.1 O=C(Cl)CCCl 13691 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.1 O=C(O)CCCl 13689 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.1 O=C(O)CCO 12598 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.1 O=C(O)CCS 36422 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 BrCCCCBr 3870 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 C#CCCCC 13057 [2,0,0,0,0,0|0,0,2]=4 208 B5R0.2 CCCCCI 3960 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.2 CCCNCC 10270 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.2 CCOCCBr 12476 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 CCOCCCl 1932 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.2 CNCCCN 26279 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.2 CNCCCO 30456 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.2 CNCCNC 31976 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.2 COCCC=O 24309 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.2 COCCCBr 11240 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.2 COCCCCl 18632 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.2 COCCCN 16804 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.2 COCCCO 1936 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.2 COCCOC 18652 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.2 ClCCCCBr 36136 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.2 ICCCCI 3842 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.2 NCCCCN 25424 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.2 OCCCCCl 17292 [2,0,0,0,0,0|1,0,1]=4 225 B5R0.2 OCCCCCl 23235 [2,0,0,0,0,0|1,0,1]=4 226 B7R0.2 CCC(=O)CC(C)=O 24813 [1,1,0,0,0,0|0,0,1]=3 227 B7R0.2 CCC(C)CC(=O)O 11272 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.2 CCC(N)CC(=O)O 13448 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.2 CC[C@H](C)CC(=O)O 11273 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.2 COC(=O)CC(C)=O 24182 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.2 NC[C@@H](O)CC(=O)O 5723 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.2 NC[C@H](O)CC(=O)O 5722 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.2 N[C@H](CO)CC(=O)O 30050 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.2 N[C@H](CO)CC(=O)O 30146 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.3 CCCCC(Br)CBr 3891 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.3 COC(=O)CCC#N 12831 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.3 COC(=O)CCC=O 29717 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.5 CCCC(C)C(=O)Cl 21794 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.5 CCCC(C)C(=O)O 2465 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.5 CCC[C@H](C)C(=O)O 5642 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.5 CCC[C@H](N)C(=O)O 5727 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.5 NC(CCO)C(=O)O 13833 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.5 NC(CCS)C(=O)O 19432 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.5 NCCC(N)C(=O)O 13824 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.5 NCCC(N)C(=O)O 14752 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.5 NCCC(O)C(=O)O 23215 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.5 NCC[C@@H](N)C(=O)O 14751 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.5 NCC[C@H](N)C(=O)O 35110 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.5 NCC[C@H](O)C(=O)O 5719 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.5 N[C@@H](CCBr)C(=O)O 13813 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.5 N[C@@H](CCO)C(=O)O 11050 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.5 N[C@@H](CCS)C(=O)O 26604 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.5 N[C@H](CCO)C(=O)O 13826 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.5 O=C(Cl)C(Br)CCBr 22805 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.5 O=C(O)[C@@H](O)CCO 16051 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.6 C=C(C)CCC(C)=O 25282 [1,1,0,0,0,0|0,0,1]=3 258 B7R0.6 CC(=O)CCC(=O)O 11206 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.6 CC(=O)CNC(C)=O 16497 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.6 CC(C)CCC(=O)Cl 20015 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.6 C[C@H](O)CC[C@H](C)O 6345 [1,1,0,0,0,0|0,0,2]=4 262 B7R0.6 C[S+](C)CCC(=O)O 35248 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.8 CCCCS(=O)(=O)[O-] 25545 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.1 BrCCCCCCBr 3894 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.1 C#CCCCCCC 13059 [1,1,0,0,0,0|0,0,2]=4 266 B7R0.1 C#CCCCCCO 13080 [1,1,0,0,0,0|0,0,2]=4 267 B7R0.1 C=CCCCCC=C 36540 [1,1,0,0,0,0|0,0,2]=4 268 B7R0.1 C=CCCCCCBr 26398 [1,1,0,0,0,0|0,0,1]=3 269 B7R0.1 C=CCCCCCCl 25249 [1,1,0,0,0,0|0,0,1]=3 270 B7R0.1 CCCCC#CCO 13065 [1,1,0,0,0,0|0,0,2]=4 271 B7R0.1 CCCCCCCBr 3775 [1,1,0,0,0,0|0,0,1]=3 272 B7R0.1 CCCCCCCI 3944 [1,1,0,0,0,0|0,0,1]=3 273 B7R0.1 CCCC\C=C\CO 18918 [1,1,0,0,0,0|0,0,1]=3 274 B7R0.1 CCOCCCCCl 1933 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.1 ICCCCCCI 3846 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.1 N#CCCCCCBr 12505 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.1 NCCCCCCO 13750 [1,1,0,0,0,0|0,0,2]=4 278 B7R0.1 O=CCCCCC=O 21301 [1,1,0,0,0,0|0,0,1]=3 279 B7R0.1 OCCCCCCCl 16921 [1,1,0,0,0,0|0,0,2]=4 280 B7R0.7 CCCC(N)CCC 12594 [1,1,0,0,0,0|0,0,1]=3 281 B7R0.7 COCC(N)COC 23938 [1,1,0,0,0,0|2,0,0]=4 282 B9R0.4 CSCC[C@H](N)CC(=O)O 30081 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.6 CCCC(N)C(O)C(=O)O 9691 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.6 CCC[C@H](N)[C@H](O)C(=O)O 24508 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.6 CCOC(=O)C(C)C(C)=O 15839 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.6 CCOC(=O)C(F)C(C)=O 25422 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.23 CC[C@@H](O)[C@@H](N)CC(=O)O 24539 [0,2,0,0,0,0|1,0,0]=3 288 B9R0.23 CC[C@@H](O)[C@H](N)CC(=O)O 24537 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O 30096 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.23 CC[C@H](O)[C@@H](N)CC(=O)O 24538 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.23 CC[C@H](O)[C@H](N)CC(=O)O 24536 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.34 COCC(=O)CC(=O)OC 10473 [0,2,0,0,0,0|1,0,1]=4 293 B9R0.53 CC(C)C[C@H](N)CC(=O)O 25245 [0,2,0,0,0,0|1,0,0]=3 294 B9R0.53 CC(C)C[C@H](N)CC(=O)O 30107 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.1 COC(=O)CCCC(=O)Cl 14033 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.5 CCCCCC(=O)OCC 15737 [0,2,0,0,0,0|0,0,0]=2 297 B9R0.5 CCOC(=O)CCCCBr 3955 [0,2,0,0,0,0|1,0,0]=3 298 B9R0.5 CCOC(=O)CCCCN 31885 [0,2,0,0,0,0|1,0,0]=3 299 B9R0.8 COC(=O)[C@@H](N)CCCN 18996 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [0,2,0,0,0,0|1,0,0]=3 301 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 30308 [0,2,0,0,0,0|0,0,2]=4 302 B9R0.46 CCC(C)CCCCCBr 18977 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.46 CCCCCCC(C)CBr 18952 [0,2,0,0,0,0|1,0,1]=4 304 B9R0.46 CCCCCCC(O)CO 36051 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.46 COC(=O)CCCCCBr 16910 [0,2,0,0,0,0|0,0,0]=2 306 B9R0.47 C=C(C)C(=O)NCCCN 23321 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.47 C=C(F)C(=O)OCCCC 32379 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.47 C=CCCCC(=O)N(C)C 36182 [0,2,0,0,0,0|0,0,2]=4 309 B9R0.47 CN(C)C(=O)CCCCBr 36181 [0,2,0,0,0,0|1,0,0]=3 310 B9R0.47 NCCCCC(N)C(=O)O 12390 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.47 NCCCCC(N)C(=O)O 12448 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.47 NCCCC[C@@H](N)C(=O)O 13028 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.47 NCCCC[C@@H](N)C(=O)O 17982 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.47 NCCCC[C@@H](N)C(=O)O 6286 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.47 NCCCC[C@@H](N)C(N)=O 35109 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.47 NCCCC[C@H](N)C(=O)O 23203 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.47 NCCCC[C@H](N)C(=O)O 36140 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.47 NCCCC[C@H](N)C(=O)O 36361 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.47 NCCCC[C@H](N)C(=O)O 7967 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.47 N[C@@H](CCCCO)C(=O)O 29947 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.2 CC(=O)OCCCCCCl 3676 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.2 CC(C)CCCCCCBr 18956 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.2 CCCCCCCC(=O)[O-] 12870 [0,2,0,0,0,0|1,0,0]=3 324 B9R0.38 CCCCCCS(=O)(=O)[O-] 25499 [0,2,0,0,0,0|2,0,0]=4 325 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,2,0,0,0,0|0,0,1]=3 327 B9R0.55 O=C(Cl)CCCCC(=O)Cl 13242 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.55 O=C([O-])CCCCC(=O)[O-] 35724 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 29929 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.7 CC(C)CC[C@H](N)C(=O)O 29928 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.13 CCCCC(CC)C(=O)Cl 35126 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.13 CCCCC(CC)C(=O)[O-] 25433 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.13 CCCC[C@H](CO)C(=O)O 14233 [0,2,0,0,0,0|1,0,0]=3 334 B9R0.51 CCCCC(F)(F)C(=O)O 14260 [0,2,0,0,0,0|1,0,0]=3 335 B9R0.56 CC(=O)OCC[N+](C)(C)C 30313 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.56 C[N+](C)(C)CCCC(=O)O 25116 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.56 O=C(O)CCCC(F)(F)F 24752 [0,2,0,0,0,0|2,0,0]=4 338 B7R1.2 CC1=CC(=O)CC1 25608 [1,0,0,1,0,0|0,0,2]=4 339 B7R1.2 CC1COC(=O)C1 35360 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.2 CC1COC(=O)O1 27468 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.2 CN1CCC(=O)C1 20342 [1,0,0,1,0,0|1,0,0]=3 342 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.2 C[C@@H]1COC(=O)O1 6059 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.2 C[C@H]1COC(=O)O1 6716 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.2 NC1CNC(=O)C1 31656 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.2 N[C@@H]1COC(=O)C1 14757 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.2 N[C@H]1COC(=O)C1 14758 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.2 O=C1CC(O)CO1 35886 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.2 O=C1C[C@@H](O)CN1 6351 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.2 O=C1C[C@@H](O)CO1 6051 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.2 O=C1C[C@@H](S)CN1 26289 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.2 O=C1C[C@H](O)CN1 19064 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.2 O=C1C[C@H](O)CO1 6050 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.3 BrC1=CCCCC1 29716 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.3 CC1CCCCN1 7704 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.3 CN1CCCCC1 7703 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.3 C[C@@H]1CCCCN1 14248 [1,0,0,1,0,0|1,0,1]=4 358 B7R1.3 C[C@H]1CCCCN1 15597 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.3 NN1CCCCC1 23024 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.3 NN1CCCCC1 23261 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.3 O=C1CCCCN1 16892 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.3 O=C1CCCCO1 20208 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.3 O=C1CCCNC1 24362 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.3 O=C1CCCNC1 26624 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.3 O=C1CCCOC1 15125 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.3 O=C1CCCOC1 19912 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.3 O=C1CCNCC1 6789 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.3 O=C1CCNCC1 7756 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.3 O=C1CCOCC1 9557 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.3 O=C1CCSCC1 18603 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.3 O=C1CNCCN1 23093 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.3 O=C1CNCCN1 8557 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.3 O=C1CNCCO1 27815 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.3 O=C1COCCN1 25157 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.3 O=C1COCCO1 14989 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.3 O=C1NCCCN1 12422 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.14 CC1(O)CCCC1 29357 [1,0,0,1,0,0|0,0,2]=4 378 B7R1.14 C[Si]1(C)CCCC1 28986 [1,0,0,1,0,0|1,1,0]=4 379 B7R1.14 O=S1(=O)CCCC1 35244 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.18 CC(O)C1CCC1 16458 [1,0,0,1,0,0|0,0,2]=4 381 B7R1.18 NC(=O)C1CNC1 29374 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.18 NC(=O)C1CNC1 29375 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.18 O=C(O)C1CCC1 14139 [1,0,0,1,0,0|1,0,0]=3 384 B7R1.18 O=C(O)C1CCN1 19101 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.18 O=C(O)C1CCN1 24713 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.18 O=C(O)C1CCO1 18479 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.18 O=C(O)C1CNC1 10160 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.18 O=C(O)C1CNC1 30447 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.18 O=C(O)[C@@H]1CCN1 5731 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.20 O=C(O)CC1CC1 19703 [1,0,0,1,0,0|1,0,0]=3 391 B7R1.1 BrCC1CCCC1 3104 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.1 BrCC1CCOC1 24395 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.1 CCN1CCCC1 36488 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.1 CNC1CCNC1 11207 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.1 CNC1CCOC1 15123 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.1 CNC1CCOC1 24384 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.1 CN[C@@H]1CCNC1 11209 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.1 CN[C@@H]1CCOC1 24382 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.1 CN[C@@H]1CCOC1 24386 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.1 CN[C@H]1CCNC1 11208 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.1 CN[C@H]1CCOC1 24380 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.1 CN[C@H]1CCOC1 24385 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.1 COC1CCNC1 19858 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.1 CO[C@@H]1CCNC1 14802 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.1 CO[C@H]1CCNC1 14801 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.1 N#CC1CCCC1 28731 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.1 NCC1CCNC1 11185 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.1 NC[C@@H]1CCNC1 11186 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.1 NC[C@@H]1CCOC1 20493 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.1 NC[C@H]1CCNC1 11187 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.1 NC[C@H]1CCOC1 20502 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.1 NNC1CCCC1 16307 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.1 O=CC1CCCC1 27475 [1,0,0,1,0,0|0,0,0]=2 414 B7R1.1 O=CC1CCCO1 27177 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.1 OCC1CCCC1 3097 [1,0,0,1,0,0|0,0,2]=4 416 B7R1.1 OCC1CCNC1 15733 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.1 OCC1CCNC1 15883 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.1 OCC1CCOC1 20510 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.1 OC[C@@H]1CCNC1 18724 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.1 OC[C@H]1CCNC1 18723 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.4 CC1CCNC1=O 18075 [1,0,0,1,0,0|1,0,0]=3 422 B7R1.4 CC1OCCC1=O 7120 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.4 CN1CCCC1=O 17618 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.4 NC1CCOC1=O 6982 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.4 NC1CCSC1=O 26584 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.4 NN1CCCC1=O 26204 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.4 N[C@@H]1CCNC1=O 24096 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.4 N[C@@H]1CCOC1=O 14743 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 N[C@H]1CCOC1=O 13830 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.4 O=C1NCC[C@@H]1O 26213 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.4 O=C1OCCC1Br 10714 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.6 COCC1CNC1 26682 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.24 C1CNCCNC1 8556 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.24 C1CNCCOC1 25220 [1,0,0,1,0,0|2,0,0]=4 435 B9R1.13 O=C(Cl)OC1CCCC1 25250 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.13 O=C(O)CC1C=CCC1 31950 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.13 O=C(O)CC1CCCO1 15380 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 20488 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 20491 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.34 CC1CC(=O)CC(=O)C1 14279 [0,1,0,1,0,0|0,0,1]=3 442 B9R1.34 CC1CC(=O)CC(C)C1 35048 [0,1,0,1,0,0|0,0,0]=2 443 B9R1.41 CC(=O)C1CCOC1=O 6957 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 23256 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 19520 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 23258 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 23259 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 27193 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 23257 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,1,0,1,0,0|0,0,1]=3 451 B9R1.66 CC1(C)CC(=O)CCO1 24423 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.66 CC1(C)CCCC(=O)C1 27316 [0,1,0,1,0,0|0,0,0]=2 453 B9R1.137 CC(=O)CC(=O)C1CC1 21009 [0,1,0,1,0,0|0,0,1]=3 454 B9R1.1 CCN1CCC(=O)CC1 6784 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.1 O=C1CCC(CO)CC1 20341 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.1 O=CC1CCC(=O)CC1 2083 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.2 CCN1CCCC(Cl)C1 6737 [0,1,0,1,0,0|1,0,1]=4 458 B9R1.2 CCN1CCCC(O)C1 7716 [0,1,0,1,0,0|0,0,2]=4 459 B9R1.2 CN1CCCC(CO)C1 8874 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.3 CC1C(=O)CCCC1=O 15384 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.3 CN1CCCN(C)C1=O 16903 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.5 CN1CCCCCC1=O 36383 [0,1,0,1,0,0|0,0,0]=2 463 B9R1.5 NC1CCCCNC1=O 20137 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.5 N[C@H]1CCCCNC1=O 14097 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.11 COC(=O)C1=CCCC1 2487 [0,1,0,1,0,0|0,0,2]=4 467 B9R1.11 COC(=O)C1CCCO1 2380 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.11 COC(=O)C1CCNC1 18897 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.11 COC(=O)[C@@H]1CCCN1 10887 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.11 COC(=O)[C@@H]1CCNC1 20164 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.11 COC(=O)[C@H]1CCCN1 10888 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.11 NCC(=O)N1CCCC1 26419 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.11 NCC(=S)N1CCCC1 11506 [0,1,0,1,0,0|1,1,0]=4 474 B9R1.49 CN1CCCC(=O)CC1 2442 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.49 CN1CCCC(=O)CC1 2443 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.49 CN1CCCC(N)CC1 35580 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.49 CN1CCCC(O)CC1 2444 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.80 COC(=O)CNC1CC1 30154 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.89 O=CC1CCCCCC1 16219 [0,1,0,1,0,0|0,0,1]=3 480 B9R1.89 OCC1CCCCCC1 16220 [0,1,0,1,0,0|0,0,2]=4 481 B9R1.118 CCC1(O)CCCCC1 20382 [0,1,0,1,0,0|0,0,2]=4 482 B9R1.118 CCC1(O)CCCCC1 35497 [0,1,0,1,0,0|0,0,2]=4 483 B9R1.6 CC(=O)C1CCNCC1 23348 [0,1,0,1,0,0|0,0,0]=2 484 B9R1.6 CC(=O)C1CCOCC1 23581 [0,1,0,1,0,0|0,0,0]=2 485 B9R1.6 CC(=O)N1CCCCC1 7729 [0,1,0,1,0,0|0,0,0]=2 486 B9R1.6 CC(=O)N1CCNCC1 8565 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.6 CC(=O)N1CCOCC1 35160 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.6 CN(C)C1CCCNC1 6751 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.6 CN(C)C1CCNCC1 19773 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.6 CN(C)C1CCNCC1 6749 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.6 CN(C)C1CCOCC1 26061 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.6 NC(=O)C1CCCCN1 11795 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.6 NC(=O)C1CCCNC1 11797 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.6 NC(=O)C1CCNCC1 9754 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.6 NC(=O)C1CCOCC1 9735 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.6 O=C(Cl)C1CCCCC1 35229 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.6 O=C(Cl)C1CCOCC1 12437 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.6 O=C(Cl)N1CCOCC1 36111 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.6 O=C(O)C1CC=CCC1 11032 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.6 O=C(O)C1CCCCC1 10570 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.6 O=C(O)C1CCCCN1 7628 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.6 O=C(O)C1CCCCN1 7717 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.6 O=C(O)C1CCCCO1 19589 [0,1,0,1,0,0|1,0,0]=3 504 B9R1.6 O=C(O)C1CCCNC1 6793 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.6 O=C(O)C1CCCOC1 19540 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.6 O=C(O)C1CCNCC1 7718 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.6 O=C(O)C1CCOCC1 9730 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.6 O=C(O)C1CNCCN1 8582 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.6 O=C(O)C1CSCCN1 11027 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.6 O=C(O)N1CCCCC1 6791 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.6 O=C(O)[C@@H]1CC=CCC1 24718 [0,1,0,1,0,0|1,0,1]=4 512 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.6 O=C(O)[C@@H]1CCCNC1 5658 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.6 O=C(O)[C@@H]1CNCCN1 13115 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.6 O=C(O)[C@@H]1CNCCN1 15229 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.6 O=C(O)[C@H]1CCCNC1 5657 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.6 O=C(O)[C@H]1CNCCN1 13117 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.6 O=C(O)[C@H]1CNCCN1 6078 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.6 O=C(O)[C@H]1COCCN1 27275 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.35 CC(C)[C@@H]1COC(=O)N1 8176 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.35 CC(C)[C@H]1COC(=O)N1 2450 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 18730 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 18731 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 18392 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 21927 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 10982 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 26320 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 18395 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 12571 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 26283 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 12607 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 19691 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 8292 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 13973 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 9966 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.35 O=C1CCC(C(=O)O)C1 11090 [0,1,0,1,0,0|1,0,1]=4 538 B9R1.112 N[C@@H](CC1CC1)C(=O)O 17439 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.112 N[C@H](CC1CC1)C(=O)O 29893 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.163 CC(=O)C1(O)CCCC1 17644 [0,1,0,1,0,0|0,0,0]=2 541 B9R1.163 C[C@@]1(C(=O)O)CCCN1 22259 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.163 C[C@@]1(C(=O)O)CCCN1 29353 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.163 NC1(C(=O)O)CCCC1 13875 [0,1,0,1,0,0|1,0,0]=3 544 B9R1.163 NC1(C(=O)O)CCOC1 15117 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.163 N[C@@]1(C(=O)O)CCOC1 24358 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.163 N[C@]1(C(=O)O)CCOC1 24359 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.163 O=C(O)C1(F)CCCC1 34790 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.10 CC1(C)CCC(N)CC1 17658 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.10 NC1CCS(=O)(=O)CC1 18750 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.82 COC(=O)C1CC(=O)C1 27149 [0,1,0,1,0,0|1,0,1]=4 551 B9R2.39 OC1CC2CCC1C2 21607 [0,0,0,2,0,0|0,0,2]=4 552 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 21608 [0,0,0,2,0,0|0,0,2]=4 553 B9R2.110 OC12CCC(CC1)C2 21609 [0,0,0,2,0,0|0,0,2]=4 554 B9R2.139 O=C1CCC2(CC2)N1 25552 [0,0,0,2,0,0|1,0,0]=3