0 B7R0.7 CCCN(C)CCO Q66069 [0,0,0,0,0,0|4,0,0]=4 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|1,0,0]=1 6 B7R0.7 CCOC(=O)NCO Q69358 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [0,0,0,0,0,0|1,0,2]=3 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|2,0,0]=3 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 B8R0.1 C=CCOC(=O)CCC Q69608 [0,1,0,0,0,0|0,0,1]=2 22 B8R0.1 CCC#CC(=O)OCC Q56870 [0,1,0,0,0,0|0,0,1]=2 23 B8R0.1 CCCNC(=O)CCN P42190 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.1 CCCNC(=O)CNC P35278 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.1 CCCNC(=O)CNC P42832 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.3 C=C(CO)C(=O)OCC F-4649 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.3 CCOC(=O)C(C)CN P40244 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.3 CCOC(=O)C(N)CC P37453 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.3 CCOC(=O)C(O)CC P37661 [0,1,0,0,0,0|0,0,0]=1 31 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,1,0,0,0,0|0,0,0]=1 32 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.3 COCC(=O)N(C)OC P41688 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.5 CC(C)NC(=O)CC#N P37631 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.5 CCOC(=O)CC(C)N P42993 [0,1,0,0,0,0|0,0,0]=1 38 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,1,0,0,0,0|0,0,0]=1 40 B8R0.5 CNCC(=O)NC(C)C P37714 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.5 CNCC(=O)NC(C)C P42287 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.22 CCCC(CBr)CCC O29610 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.4 CC1CC(N)CCO1 A-878 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.4 CC1CC(O)CCO1 A-877 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.6 CCOC1CC(N)C1 L18168 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.6 CCO[C@H]1C[C@@H](N)C1 L18169 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.6 CCO[C@H]1C[C@H](N)C1 P43887 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.6 CCO[C@H]1C[C@H](N)C1 P46453 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.8 CCOC1CCNC1 P42418 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.8 CCO[C@@H]1CCNC1 L14178 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.8 CCO[C@H]1CCNC1 L14118 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.8 CCO[C@H]1CCNC1 P40747 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.8 ICCC1OCCO1 P35885 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.11 CNC1CCNC1=O L20781 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.11 O=C1NCCC1CO L13115 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.37 CCCC(=O)C1CC1 P45338 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.66 CCOC1(C)CNC1 P40382 [0,0,0,1,0,0|2,0,1]=4 115 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.2 C#CCOCC O29883 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.3 CNC(=O)CBr P38653 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.3 CNC(=O)CN P37877 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.3 CNC(=O)CO P37539 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.3 COC(=N)CCl P36514 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.2 C#CC(=O)OC(C)C S86242 [1,1,0,0,0,0|0,0,2]=4 124 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|0,0,2]=4 125 B7R0.2 CC(C)NC(=O)CBr P36229 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.2 CC(C)NC(=O)CN P36647 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.2 CC(C)NC(=O)CN P37073 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|0,0,1]=3 130 B7R0.2 COC(=O)CC(C)N P41489 [1,1,0,0,0,0|0,0,0]=2 131 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.3 CCCNC(=O)CN P36648 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,1,0,0,0,0|0,0,1]=3 136 B7R0.3 CNC(=O)CCCN P40550 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.3 CNCCC(=O)NC P37767 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.3 CNCCC(=O)OC P36826 [1,1,0,0,0,0|0,0,0]=2 139 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.5 CCOC(=O)C(=O)O P37044 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.5 CN(C)C(=O)CCCl P40567 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.5 CN(C)C(=O)CCN O33598 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.5 CNCC(=O)N(C)C P40286 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.10 CCC(=O)N(C)OC P42839 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.10 CCN(C)C(=O)CN P36486 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.10 COC(=O)C(C)CN P35475 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.10 COC(=O)[C@@H](N)CN P41137 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|0,0,1]=3 151 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.1 NCCCOCCO P34738 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.18 O=C(NCCCl)NCCCl P43328 [0,2,0,0,0,0|2,0,0]=4 154 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,2,0,0,0,0|0,0,0]=2 155 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,2,0,0,0,0|0,0,0]=2 156 B9R0.35 C#CCC(N)C(=O)OCC P40977 [0,2,0,0,0,0|0,0,1]=3 157 B9R0.35 CCOC(=O)C(=O)CC#N H-8899 [0,2,0,0,0,0|0,0,2]=4 158 B9R0.6 CCNC(=O)C(N)C(C)C P42121 [0,2,0,0,0,0|1,0,0]=3 159 B9R0.6 CCOC(=O)C(Br)C(C)=O O32531 [0,2,0,0,0,0|0,0,1]=3 160 B9R0.19 CCOC(=O)C(C)(C)NC O31582 [0,2,0,0,0,0|1,0,0]=3 161 B9R0.19 CCOC(=O)C(F)(F)CN M23453 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.37 CCN(CC)C(=O)CCN P38701 [0,2,0,0,0,0|2,0,0]=4 163 B9R0.37 CCOC(=O)C(C=O)C=O G-6673 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.44 CC(C)(C)OC(=O)CCBr P37435 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.44 CC(C)(C)OC(=O)CCN O34403 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.44 CC(C)(C)OC(=O)CNN H-8555 [0,2,0,0,0,0|2,0,0]=4 167 B9R0.44 CONC(=O)OC(C)(C)C P37240 [0,2,0,0,0,0|2,0,0]=4 168 B7R1.1 BrCC1=CCCC1 G-5335 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.2 O=C1CCC(=O)C1 I-9301 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|1,0,0]=3 186 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.3 C=C1CCCNC1 Q59836 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.3 C=C1CCCOC1 Q54979 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.3 C=C1CCNCC1 H-8338 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.3 C=C1CCNCC1 Q55164 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.3 N=C1NCCCO1 L19177 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.3 O=C1CC=CCC1 Q53604 [1,0,0,1,0,0|0,0,2]=4 196 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.4 CN1CCCC1=N Q59266 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.4 NC1CCNC1=O F-4440 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.4 NN1CCCC1=O P51102 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.4 N[C@H]1CCNC1=O L14236 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.4 O=C1CCCC1=O L19145 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.4 O=C1NCCC1Br O31241 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.4 O=C1NCCC1F Q62170 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 O=C1NCCC1O D-2532 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.4 O=C1NCC[C@H]1O O30124 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.8 NCC1CNC1=O P46897 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|1,0,0]=3 229 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.22 CCC(=O)C1CC1 I-9941 [1,0,0,1,0,0|0,0,0]=2 232 B7R1.22 CCC(N)C1CC1 L14734 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.22 CCC(O)C1CC1 L14172 [1,0,0,1,0,0|0,0,2]=4 234 B7R1.22 NNC(=O)C1CC1 G-5359 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.25 CCC1(N)CCC1 P45271 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.25 CCC1(N)CCC1 P45837 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.7 CCCNC1CC1 P36383 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.7 CCCNC1CC1 P41552 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|0,0,1]=3 249 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|1,0,0]=3 254 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|1,0,0]=3 255 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.8 CCOC1CCCNC1 P42499 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.8 CCOC1CCNCC1 P42609 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.15 CCN1CCNCC1=O A-474 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.15 CNC1CCCCC1=O O32079 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.15 COC1CCCCC1=O P44670 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.15 COC1COCCC1=O C-3417 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.15 COC1OCCCC1=O L19674 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.15 O=C1COCCC1CO Q64449 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.22 CCN1CC(O)CC1=O Q59306 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.33 COCC1CCCC1=O O31995 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.33 NCCN1CCCC1=O P39375 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.33 NCCN1CCOC1=O M22885 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.33 O=C1CCCN1CCBr M23139 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.33 O=C1OCCC1CCBr Q69615 [0,1,0,1,0,0|0,0,0]=2 274 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.73 CCNC(=O)C1CNC1 P48513 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.73 CCNC(=O)C1CNC1 P48516 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.73 CCOC(=O)C1CCN1 P40788 [0,1,0,1,0,0|0,0,0]=2 288 B9R1.73 CCOC(=O)C1CNC1 C-2881 [0,1,0,1,0,0|0,0,0]=2 289 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [0,1,0,1,0,0|0,0,0]=2 290 B9R1.73 O=C(CCCl)N1CCC1 P42685 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,1,0,1,0,0|0,0,0]=2 292 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.100 NCCNC(=O)C1CC1 O28367 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.117 CC1(OCCN)CCC1 P48266 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.117 CC1(OCCN)CCC1 P48287 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.183 CCOC(=O)C1N=C1C K16119 [0,1,0,1,0,0|0,0,1]=3 297 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|1,0,0]=3 298 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.74 CCOC(=O)C1(N)CC1 P38137 [0,1,0,1,0,0|0,0,0]=2 306 B9R1.74 CCOC(=O)C1(O)CC1 Q52263 [0,1,0,1,0,0|0,0,0]=2 307 B9R1.101 CON(C)C(=O)C1CC1 L13795 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.132 CCN1CCC(N)C1=O Q59433 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.34 CC1CC(=O)CC(=O)N1 O29819 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,1,0,1,0,0|0,0,1]=3 311 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.34 CN1CC(=O)OC(=O)C1 Q70106 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.175 CCCC1(C=O)CCC1 P43832 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.175 CCOC1(CN)CCC1 L20821 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.24 CCN1CCOS1(=O)=O G-5852 [0,1,0,1,0,0|2,0,0]=4 332 B9R2.8 O=C1CC2CC(C1)C2 P47305 [0,0,0,2,0,0|1,0,0]=3 333 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 334 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 335 B9R2.25 O=C1OC(=O)C2CC12 D-2718 [0,0,0,2,0,0|1,0,1]=4 336 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,2,0,0|1,0,0]=3 337 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|2,0,0]=4 338 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|2,0,0]=4 340 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|2,0,0]=4 341 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|2,0,0]=4 342 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|1,0,0]=3 343 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|1,0,0]=3 344 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|2,0,0]=4 345 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|1,0,0]=3 346 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|0,0,0]=2 347 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,2,0,0|1,0,0]=3 348 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,2,0,0|1,0,0]=3 349 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|1,0,0]=3 350 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|2,0,0]=4 351 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|2,0,0]=4 352 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 353 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|2,0,0]=4 354 B9R2.5 O=C1NCCC12CC2 Q52783 [0,0,0,2,0,0|1,0,0]=3 355 B9R2.24 O=C1C2CCC1CC2 P49961 [0,0,0,2,0,0|1,0,0]=3 356 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|1,0,0]=3 357 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|1,0,0]=3