0 B7R0.7 CCCN(C)CCO Q66069 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.7 CCNC(=O)CC#N P41076 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.7 CCNC(=O)CCN P36830 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCNC(=O)CNC P35209 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 CCNC(=O)CNC P39556 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCOC(=O)CCI P36879 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.7 CCOC(=O)NCO Q69358 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCC(=O)CC#N P38761 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.1 CCC(S)CCO O29430 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.1 CCC[C@@H](N)CO P35977 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCC[C@H](N)CO P39535 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCN(C)CCO Q66070 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCNC(=O)CN P39222 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCNC(=O)CO O31312 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CCNC(=O)NC M15284 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCOC(=N)CCl P38507 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CNC(=O)CCCl P38167 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CNC(=O)CCN P37692 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNCC(=O)NC P37691 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CNCC(=O)NC P38046 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 BrCCNCCBr M15186 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 CNCCCCN L19491 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 CNCCCOC P37437 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 COCCCCN O29739 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 NCCOCCN P39125 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 OCCOCCBr P37296 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 OCCOCCI P41754 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.1 C=CCOC(=O)CCC Q69608 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.1 CCC#CC(=O)OCC Q56870 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.1 CCCCN(C)CCO Q66068 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.1 CCCNC(=O)CCN P42190 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.1 CCCNC(=O)CNC P35278 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.1 CCCNC(=O)CNC P42832 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.3 C=C(CO)C(=O)OCC F-4649 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.3 CCOC(=O)C(C)CN P40244 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.3 CCOC(=O)C(N)CC P37453 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.3 CCOC(=O)C(O)CC P37661 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.3 COCC(=O)N(C)OC P41688 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.5 CC(C)NC(=O)CC#N P37631 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,1,0,0,0,0|0,0,1]=2 45 B8R0.5 CCOC(=O)CC(C)N P42993 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.5 CNCC(=O)NC(C)C P37714 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.5 CNCC(=O)NC(C)C P42287 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.22 CCCC(CBr)CCC O29610 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,1,0,0|0,0,2]=3 53 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,1,0,0|1,0,0]=2 55 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 CC1CC(N)CCO1 A-878 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.4 CC1CC(O)CCN1 G-7300 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.4 CC1CC(O)CCN1 L21311 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.4 CC1CC(O)CCO1 A-877 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.4 CC1CNCC(F)C1 Q54411 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.4 CN1CCCC(N)C1 C-3293 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 CN1CCCC(O)C1 C-3297 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,0,0,1,0,0|1,0,1]=3 77 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,0,0,1,0,0|0,0,2]=3 78 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,0,0,1,0,0|0,0,2]=3 79 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,0,0,1,0,0|0,0,2]=3 82 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,0,0,1,0,0|0,0,2]=3 83 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,1,0,0|1,0,0]=2 93 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,1,0,0|1,0,0]=2 94 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,0,0,1,0,0|0,0,2]=3 97 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,0,0,1,0,0|0,0,2]=3 101 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,0,0,1,0,0|1,0,2]=4 107 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,0|1,0,0]=2 108 B8R1.4 NC1CCCC(F)C1 P48941 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.4 NC1CCCC(O)C1 F-4485 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.4 NC1CCCC(O)C1 P51354 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,0,0,1,0,0|1,0,2]=4 126 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,1,0,0|1,0,1]=3 134 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,1,0,0|1,0,0]=2 135 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,1,0,0|1,0,0]=2 136 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.4 O=C1CSCC(=O)C1 O33436 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.6 CC1CN(CCO)C1 P47859 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.6 CCCN1CC(O)C1 P48468 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.6 CCCN1CC(O)C1 P48737 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.8 BrCCC1CCCC1 P40215 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.8 CNCC1CCCC1 P38031 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.8 COCC1CCCN1 O28849 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.8 COC[C@H]1CCCN1 P35868 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.8 NCCC1CCCC1 P37297 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.8 OCCC1CCCC1 P36182 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.8 OCCC1CCCN1 G-5919 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.11 CC1CCCC1CN L20508 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.11 CCC1CNCC1O Q59343 [0,0,0,1,0,0|1,0,2]=4 160 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q56055 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q61812 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.11 CN1CCCC1CN P39264 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.11 CN1CCC[C@@H]1CO P44684 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.11 CNC1CCNC1=O L20781 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.11 CN[C@@H]1CCC[C@H]1O Q55268 [0,0,0,1,0,0|1,0,2]=4 168 B8R1.11 CN[C@@H]1CCC[C@H]1O Q61729 [0,0,0,1,0,0|1,0,2]=4 169 B8R1.11 COC1CCCC1N Q59137 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.11 COC1CCCC1N Q59138 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.11 CSC1CCCC1N Q59163 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.11 N#CC1COCC1=O L22433 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.11 N#CC1CSCC1=O L13982 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.11 NCC1CCCC1N Q59144 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.11 NCC1CCCC1O Q59145 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,0,0,1,0,0|1,0,2]=4 182 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.11 O=C1NCCC1CO L13115 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,0,0,1,0,0|2,0,1]=4 185 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|1,0,1]=3 186 B8R1.22 FC1CCCNCC1 L18431 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.37 CCCC(=O)C1CC1 P45338 [0,0,0,1,0,0|0,0,0]=1 192 B8R1.66 CCCC1(O)CNC1 H-8422 [0,0,0,1,0,0|1,0,2]=4 193 B8R1.66 COCC1(N)CCC1 P49294 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.66 COCC1(N)CCC1 P49768 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.66 NC1(CCO)CCC1 L21423 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.66 NC1(CCO)CCC1 P48533 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.66 NCCC1(F)CCC1 P47050 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.66 NCCC1(O)CCC1 P43162 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.66 NCCC1(O)CCC1 P48910 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.66 OCCC1(O)CCC1 P45126 [0,0,0,1,0,0|1,0,2]=4 201 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 202 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.2 CNCCSC M23087 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 CSCCCN P39434 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 NCCCCS L19142 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.3 CNC(=O)CBr P38653 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.3 CNC(=O)CN P37877 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.3 CNC(=O)CO P37539 [2,0,0,0,0,0|2,0,0]=4 210 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|0,0,2]=4 211 B7R0.2 CC(C)NC(=O)CBr P36229 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.2 CC(C)NC(=O)CN P36647 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.2 CC(C)NC(=O)CN P37073 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|0,0,1]=3 216 B7R0.2 COC(=O)CC(C)N P41489 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.3 CCCNC(=O)CN P36648 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.3 CNC(=O)CCCN P40550 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.3 CNCCC(=O)NC P37767 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.3 CNCCC(=O)OC P36826 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.5 CN(C)C(=O)CCCl P40567 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.5 CN(C)C(=O)CCN O33598 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.5 CNCC(=O)N(C)C P40286 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.10 CCC(=O)N(C)OC P42839 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.10 CCN(C)C(=O)CN P36486 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.10 COC(=O)C(C)CN P35475 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.10 COC(=O)[C@@H](N)CN P41137 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.1 NCCCOCCO P34738 [1,1,0,0,0,0|2,0,0]=4 236 B9R0.5 CCCCNC(=O)CC#N P38337 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.5 COCCNC(=O)CC#N P41073 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.18 CCCCC(N)CCCC M15282 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.18 O=C(NCCCl)NCCCl P43328 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.35 C#CCC(N)C(=O)OCC P40977 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.6 CCNC(=O)C(N)C(C)C P42121 [0,2,0,0,0,0|1,0,0]=3 244 B9R0.6 CCOC(=O)C(Br)C(C)=O O32531 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.19 CCOC(=O)C(C)(C)NC O31582 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.19 CCOC(=O)C(F)(F)CN M23453 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.37 CCN(CC)C(=O)CCN P38701 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.44 CC(C)(C)OC(=O)CCBr P37435 [0,2,0,0,0,0|2,0,0]=4 249 B9R0.44 CC(C)(C)OC(=O)CCN O34403 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.58 CCCS(=O)(=O)CC(C)=O O29371 [0,2,0,0,0,0|1,0,1]=4 251 B7R1.1 BrCC1=CCCC1 G-5335 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.2 O=C1CCC(=O)C1 I-9301 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.3 C=C1CCCNC1 Q59836 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.3 C=C1CCCOC1 Q54979 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 C=C1CCNCC1 H-8338 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.3 C=C1CCNCC1 Q55164 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 O=C1CC=CCC1 Q53604 [1,0,0,1,0,0|0,0,2]=4 277 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.4 CN1CCCC1=N Q59266 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.4 NC1CCNC1=O F-4440 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.4 NN1CCCC1=O P51102 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.4 N[C@H]1CCNC1=O L14236 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.4 O=C1CCCC1=O L19145 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.4 O=C1NCCC1Br O31241 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.4 O=C1NCCC1F Q62170 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.4 O=C1NCCC1O D-2532 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.4 O=C1NCC[C@H]1O O30124 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|1,0,0]=3 308 B7R1.8 NCC1CNC1=O P46897 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.22 CCC(=O)C1CC1 I-9941 [1,0,0,1,0,0|0,0,0]=2 313 B7R1.22 CCC(N)C1CC1 L14734 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.22 CCC(O)C1CC1 L14172 [1,0,0,1,0,0|0,0,2]=4 315 B7R1.22 NNC(=O)C1CC1 G-5359 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.25 CCC1(N)CCC1 P45271 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.25 CCC1(N)CCC1 P45837 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.7 CCCNC1CC1 P36383 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.7 CCCNC1CC1 P41552 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.7 CNCCC1CC1 P40835 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.7 NCCNC1CC1 O30035 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.7 OCCNC1CC1 P38598 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,1,0,0|0,0,1]=3 325 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,1,0,0|0,0,1]=3 326 B9R1.2 CC1CCCC(CBr)C1 Q59544 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.2 CC1CCCC(CO)C1 Q59549 [0,1,0,1,0,0|0,0,2]=4 328 B9R1.2 CC1CCCC(NN)C1 L20937 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.2 CC1CCCC(NN)C1 Q59504 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.2 CCN1CCCC(N)C1 P36640 [0,1,0,1,0,0|1,0,1]=4 332 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.2 CN1CCCC(C=O)C1 S72464 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.2 CN1CCCC(CN)C1 C-2762 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.2 CN1CCC[C@@H](CN)C1 G-5005 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.2 CN1CCC[C@@H](CN)C1 G-5267 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.2 CN1CCC[C@@H](CO)C1 L14188 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.2 CN1CCC[C@H](CN)C1 G-5006 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.2 CN1CCC[C@H](CN)C1 Q51837 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.2 CN1CCC[C@H](CO)C1 Q54917 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|0,0,0]=2 342 B9R1.2 COC1CCCC(O)C1 L21478 [0,1,0,1,0,0|0,0,2]=4 343 B9R1.2 CO[C@@H]1CCC[C@@H](N)C1 P49873 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,1,0,1,0,0|0,0,2]=4 345 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,1,0,1,0,0|0,0,2]=4 346 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,1,0,1,0,0|0,0,2]=4 347 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,1,0,1,0,0|0,0,2]=4 349 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,1,0,1,0,0|0,0,2]=4 350 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.2 NCC1CCCC(O)C1 P49691 [0,1,0,1,0,0|0,0,2]=4 353 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|1,0,0]=3 355 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 P48428 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|1,0,0]=3 358 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.8 CCCC1CCCNC1 Q59858 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.8 CCCC1CCNCC1 M22635 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.12 BrCCCC1CCCC1 P38703 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.12 CNCCC1CCCC1 P35273 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.12 CNCCC1CCCC1 P35770 [0,1,0,1,0,0|1,0,1]=4 367 B9R1.12 CNCCN1CCCC1 L19572 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.12 COCCC1CCCN1 G-7743 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.12 ClCCCN1CCCC1 G-7779 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.12 ICCCC1CCCC1 P42787 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.12 NCCCC1CCCC1 O33622 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.12 NCCCC1CCCC1 P37126 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.12 OCCCC1CCCC1 P36172 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.12 OCCC[C@@H]1CCCN1 Q57415 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.15 CCN1CCNCC1=O A-474 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.15 CNC1CCCCC1=O O32079 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.15 COC1CCCCC1=O P44670 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.15 COC1COCCC1=O C-3417 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.15 COC1OCCCC1=O L19674 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.15 N#CC1CCCCC1=O P44647 [0,1,0,1,0,0|1,0,1]=4 383 B9R1.15 N#CC1CCNCC1=O Q65263 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.15 N#CC1CNCCC1=O G-6732 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.15 O=C1COCCC1CO Q64449 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.15 O=CC1CCCCC1=O P49435 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.22 CCN1CC(O)CC1=O Q59306 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.33 CN1CCCC1CCBr Q59209 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.33 CN1CCC[C@@H]1CCN L14303 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.33 CN1CCC[C@@H]1CCN P44362 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.33 CN1CCC[C@@H]1CCO Q54913 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.33 CN1CCC[C@H]1CCN L14623 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.33 CN1CCC[C@H]1CCN Q52448 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.33 CN1CCC[C@H]1CCO Q54914 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.33 CNCC1CCCN1C L18260 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.33 CNCC1CCCN1C Q61641 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.33 COCC1CCCC1=O O31995 [0,1,0,1,0,0|0,0,0]=2 399 B9R1.33 COC[C@@H]1CCCN1N 10743 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.33 NC1CCCC1CCO L19791 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.33 NCCN1CCCC1=O P39375 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.33 NCCN1CCOC1=O M22885 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.33 O=C1CCCN1CCBr M23139 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.33 O=C1OCCC1CCBr Q69615 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.49 CN1CCCC(N)CC1 C-2203 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|0,0,0]=2 411 B9R1.69 CN1CCC(=O)CC1=O H-8214 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|0,0,0]=2 414 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P50478 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C Q63684 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.69 C[C@@H]1C[C@H](N)CCN1C Q63683 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,1,0,1,0,0|0,0,0]=2 420 B9R1.73 CCCC(N)C1CCC1 P48950 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.73 CCNC(=O)C1CNC1 P48513 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.73 CCNC(=O)C1CNC1 P48516 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.73 CCOC(=O)C1CCN1 P40788 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.73 CCOC(=O)C1CNC1 C-2881 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.73 N#CCC(=O)C1CCC1 C-3303 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.73 N#CCC(=O)C1COC1 Q62938 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.73 O=C(CCCl)N1CCC1 P42685 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.75 N#CCC(=O)NC1CC1 P41075 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.100 NCCNC(=O)C1CC1 O28367 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.117 COCCC1(O)CCC1 P48344 [0,1,0,1,0,0|0,0,2]=4 434 B9R1.117 OCCCC1(F)CCC1 P47833 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.117 OCCCC1(O)CCC1 O33564 [0,1,0,1,0,0|0,0,2]=4 436 B9R1.134 CCCC1(C)CCNC1 Q61655 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.134 CCC[C@]1(C)CCNC1 Q61656 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.183 CCOC(=O)C1N=C1C K16119 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|0,0,0]=2 440 B9R1.3 CC1CCCC(C)C1N P44629 [0,1,0,1,0,0|1,0,1]=4 441 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,1,0,0|1,0,1]=4 443 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.74 CC1(C(=O)CC#N)CC1 P35477 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.74 CCOC(=O)C1(N)CC1 P38137 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.74 CCOC(=O)C1(O)CC1 Q52263 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.101 CON(C)C(=O)C1CC1 L13795 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.132 CCN1CCC(N)C1=O Q59433 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.13 CC(N)CN1CCCC1 P37759 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,1,0,1,0,0|1,0,1]=4 455 B9R1.34 CC1CC(=O)CC(=O)N1 O29819 [0,1,0,1,0,0|1,0,1]=4 456 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,1,0,1,0,0|0,0,0]=2 458 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,1,0,1,0,0|0,0,0]=2 459 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,1,0,1,0,0|0,0,0]=2 462 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,1,0,1,0,0|0,0,0]=2 463 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [0,1,0,1,0,0|0,0,2]=4 464 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,1,0,1,0,0|0,0,0]=2 465 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,1,0,1,0,0|0,0,0]=2 466 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,1,0,1,0,0|0,0,0]=2 467 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,1,0,1,0,0|0,0,0]=2 468 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.34 C[C@H]1CC(O)C[C@H](C)N1 Q61338 [0,1,0,1,0,0|0,0,2]=4 471 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](C)N1 Q61337 [0,1,0,1,0,0|0,0,2]=4 472 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.66 C=C1CCOC(C)(C)C1 Q54981 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.66 CC1(C)CCCC(N)C1 P44411 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.66 CC1(C)CCCC(N)C1 Q52202 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.66 CC1(C)CCC[C@@H](N)C1 P44800 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.66 CC1(C)CCC[C@H](N)C1 P44801 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.66 CN1CCCC(C)(N)C1 H-8147 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.66 NC1CCCS(=O)(=O)C1 Q54882 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.66 O=S1(=O)CCCC(Br)C1 Q57963 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.66 O=S1(=O)CCCC(O)C1 Q57891 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.137 O=C(O)CC(=O)C1CC1 F-4421 [0,1,0,1,0,0|1,0,1]=4 487 B9R1.171 CC(O)CC1(O)CCC1 P46731 [0,1,0,1,0,0|0,0,2]=4 488 B9R1.175 CCCC1(C#N)CCC1 P48283 [0,1,0,1,0,0|1,0,1]=4 489 B9R1.175 CCCC1(C=O)CCC1 P43832 [0,1,0,1,0,0|0,0,1]=3 490 B9R1.175 CCCC1(CN)CCC1 P44712 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.175 CCCC1(CN)CCC1 P48443 [0,1,0,1,0,0|1,0,1]=4 492 B9R2.8 NC1CC2CC(C1)C2 P49248 [0,0,0,2,0,0|1,0,1]=4 493 B9R2.8 O=C1CC2CC(C1)C2 P47305 [0,0,0,2,0,0|0,0,0]=2 494 B9R2.8 OC1CC2CC(C1)C2 P48685 [0,0,0,2,0,0|0,0,2]=4 495 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 496 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 497 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,2,0,0|0,0,0]=2 498 B9R2.39 BrC1CC2CCC1C2 P45805 [0,0,0,2,0,0|1,0,1]=4 499 B9R2.39 NC1CC2CCC1C2 P41250 [0,0,0,2,0,0|1,0,1]=4 500 B9R2.39 NC1CC2CCC1C2 P45140 [0,0,0,2,0,0|1,0,1]=4 501 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 P45110 [0,0,0,2,0,0|1,0,1]=4 502 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 P48888 [0,0,0,2,0,0|1,0,1]=4 503 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 P45111 [0,0,0,2,0,0|1,0,1]=4 504 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P44165 [0,0,0,2,0,0|1,0,1]=4 505 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P49356 [0,0,0,2,0,0|1,0,1]=4 506 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|1,0,0]=3 507 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|1,0,0]=3 508 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|1,0,0]=3 509 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|1,0,0]=3 510 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|1,0,0]=3 511 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|0,0,0]=2 512 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|0,0,0]=2 513 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|1,0,0]=3 514 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|1,0,0]=3 515 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|1,0,0]=3 516 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,2,0,0|2,0,0]=4 517 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,2,0,0|2,0,0]=4 518 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,2,0,0|0,0,2]=4 519 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,2,0,0|0,0,2]=4 520 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,2,0,0|0,0,2]=4 521 B9R2.68 C1CC2CCC(C1)N2 G-5152 [0,0,0,2,0,0|1,0,1]=4 522 B9R2.68 C1CC2CCC(C1)N2 P44257 [0,0,0,2,0,0|1,0,1]=4 523 B9R2.96 NC12CCCC(C1)C2 P46279 [0,0,0,2,0,0|1,0,1]=4 524 B9R2.96 OC12CCCC(C1)C2 P48879 [0,0,0,2,0,0|0,0,2]=4 525 B9R2.109 NC1CCCC2CC12 Q63668 [0,0,0,2,0,0|1,0,1]=4 526 B9R2.109 NC1CCCC2CC12 Q63669 [0,0,0,2,0,0|1,0,1]=4 527 B9R2.109 N[C@@H]1CCC[C@H]2C[C@H]21 Q63670 [0,0,0,2,0,0|1,0,1]=4 528 B9R2.109 N[C@H]1CCC[C@H]2C[C@@H]12 Q63671 [0,0,0,2,0,0|1,0,1]=4 529 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|0,0,0]=2 530 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|1,0,0]=3 531 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|1,0,0]=3 532 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 533 B9R2.109 OC1CCCC2CC12 Q63664 [0,0,0,2,0,0|0,0,2]=4 534 B9R2.109 O[C@@H]1CCC[C@@H]2C[C@H]12 Q63667 [0,0,0,2,0,0|0,0,2]=4 535 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63665 [0,0,0,2,0,0|0,0,2]=4 536 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63666 [0,0,0,2,0,0|0,0,2]=4 537 B9R2.7 O=C1CC2CC=CC12 Q56018 [0,0,0,2,0,0|0,0,2]=4 538 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|1,0,0]=3 539 B9R2.3 C1CC2CCNC2C1 Q57326 [0,0,0,2,0,0|1,0,1]=4 540 B9R2.173 C1CNC2(C1)CCC2 G-5104 [0,0,0,2,0,0|1,0,1]=4 541 B9R2.173 C1CNC2(C1)CCC2 Q62225 [0,0,0,2,0,0|1,0,1]=4 542 B9R2.173 C1CNC2(C1)CCC2 Q62226 [0,0,0,2,0,0|1,0,1]=4 543 B9R2.5 NC1CCCC12CC2 Q62618 [0,0,0,2,0,0|1,0,1]=4 544 B9R2.5 O=C1NCCC12CC2 Q52783 [0,0,0,2,0,0|1,0,0]=3 545 B9R2.5 OC1CCCC12CC2 Q62617 [0,0,0,2,0,0|0,0,2]=4 546 B9R2.24 NC1C2CCC1CC2 P45717 [0,0,0,2,0,0|1,0,1]=4 547 B9R2.24 O=C1C2C=CC1CC2 P45308 [0,0,0,2,0,0|0,0,2]=4 548 B9R2.24 O=C1C2CCC1CC2 P49961 [0,0,0,2,0,0|0,0,0]=2 549 B9R2.24 OC1C2CCC1CC2 P45884 [0,0,0,2,0,0|0,0,2]=4 550 B9R2.123 NC1C2CCCCC12 P44913 [0,0,0,2,0,0|1,0,1]=4 551 B9R2.123 NC1C2CCCCC12 Q53099 [0,0,0,2,0,0|1,0,1]=4 552 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|0,0,0]=2 553 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|2,0,0]=4 554 B9R2.6 NC12CCCCC1C2 P46405 [0,0,0,2,0,0|1,0,1]=4 555 B9R2.6 NC12CCCCC1C2 Q65216 [0,0,0,2,0,0|1,0,1]=4 556 B9R2.118 NC1(C2CC2)CCC1 Q53497 [0,0,0,2,0,0|1,0,1]=4