0 B6R0.4 C#CCNC(C)=O P36776 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 C#CCOC(C)C O29863 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 C#CCOC(N)=O O30954 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 CC(C)NCCCl O34399 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 CCNCC(=O)O P37534 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CCNCC(N)=O P36580 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 CN(C)CCCBr O34500 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 CNCCC(=O)O P36779 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CNCCC(=O)O P39205 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CNCCC(C)O P38146 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 CNCCC(N)=O P37896 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 O=C(O)\C=C\CBr P41388 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C=C(C)CON P51484 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CC(N)CCO P39048 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 COCC(=N)N O34478 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 COCC(C)Br O32164 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 C[C@@H](N)CCO F-4752 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 C[C@H](N)CCO F-4570 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.2 C#CCOCC O29883 [1,0,0,0,0,0|0,0,3]=4 25 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 CNCCSC M23087 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 NCC(O)CC(=O)O P35068 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.3 CCCNC(=O)CN P36648 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.3 CNC(=O)CCCN P40550 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 CNCCC(=O)NC P37767 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.3 CNCCC(=O)OC P36826 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.4 C#CCOCC(=O)O O29707 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.4 C=CCOCC(=O)O P39548 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.4 CC(=O)NCCCN P38199 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.4 CNCCNC(C)=O P41559 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.4 COCCCC(=O)O P39031 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.4 NCCNCC(=O)O O28634 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.4 NCCOCC(=O)O P35961 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.5 C#CCN(C)C(C)=O P40328 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.5 CC(=O)N(C)CCN P35211 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.5 CCCC(C)C(C)N L19280 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.5 CCNC(C)C(=O)O P36832 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.6 CC(=O)OCC(C)O P36972 [0,1,0,0,0,0|0,0,0]=1 65 B7R0.6 CC(C)OCC(=O)O P38749 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.6 O=C(O)CCC(F)F S72753 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.8 CCCCS(=O)(=O)O O30093 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.8 CNCCS(C)(=O)=O P39970 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.8 CS(=O)(=O)NCCN P35901 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.8 C[Si](C)(C)OCCBr P38651 [0,1,0,0,0,0|2,1,0]=4 71 B7R0.8 C[Si](C)(C)OCCI P39245 [0,1,0,0,0,0|2,1,0]=4 72 B7R1.2 CC1=NC(C)CO1 M15289 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,1,0,0|1,0,0]=2 75 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,1,0,0|1,0,0]=2 85 B7R1.2 NC1CNC(=O)C1 G-6478 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.2 NC1CNC(=O)C1 L13560 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.2 O=C1C=CC(O)C1 O30118 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 O=C1CNC(=O)C1 L18257 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 C=C1CCCOC1 Q54979 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 C=C1CCNCC1 H-8338 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 C=C1CCNCC1 Q55164 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 C=C1CCOCC1 L13714 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 N=C1NCCCO1 L19177 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 NC1=NCCCN1 M15172 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.3 O=C1CCCOC1 G-6070 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.3 O=C1CCCSC1 G-5937 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.3 O=C1COCCN1 B-1038 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.3 O=C1OCCCO1 P43743 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.7 CCCNC1CC1 P36383 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.7 CCCNC1CC1 P41552 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.10 C=C1CC(CBr)C1 P49895 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.10 C=C1CC(CO)C1 P49896 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.10 C=CC1CC(=O)C1 P45344 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.10 CCC1CC(=O)C1 P44071 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.10 CCC1CC(N)C1 P48761 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.10 COC1CC(=O)C1 F-4668 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.10 N#CC1CC(=O)C1 F-4231 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.10 NCC1CC(=O)C1 C-2921 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.10 O=C1CC(CCl)C1 L13121 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.10 O=C1CC(CF)C1 P44872 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.10 O=C1CC(CO)C1 D-2565 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.10 O=C1CC(CO)N1 P45245 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.14 CC1(C)CCCN1 A-592 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.14 CC1(C)CCCN1 Q51927 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.14 CC1(N)CCCC1 Q57352 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.14 O=S1(=O)NCCO1 G-7898 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.17 CC1(C)OCC1Br Q52792 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.17 CC1(C)OCC1I Q52793 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.17 CC1(C)OCC1N Q52791 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.17 CC1(C)OCC1O Q52790 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.18 CC(=O)C1CNC1 P44065 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.18 CC(=O)C1CNC1 P48871 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.18 CC(=O)C1CNC1 P48872 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.18 CC(=O)C1COC1 Q56096 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.18 CC(=O)N1CCC1 P45596 [0,0,0,1,0,0|1,0,0]=2 173 B7R1.18 CC(N)C1CCC1 L22474 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.18 CC(N)C1CCC1 P45412 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.18 CC(O)C1CCC1 P45236 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.18 CS(=O)C1CNC1 P40256 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.18 C[C@@H](N)C1CCC1 P45187 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.18 C[C@@H](N)C1CCC1 P45332 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.18 C[C@H](N)C1CCC1 P48628 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,0,0,1,0,0|1,0,2]=4 181 B7R1.18 N=C(N)C1CCC1 G-7205 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.18 N=C(N)N1CCC1 P49826 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.18 NC(=O)C1CNC1 C-2241 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.18 NC(=O)C1CNC1 L21539 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.18 NC(=O)N1CCC1 P45464 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.18 NC(=S)C1CCC1 P47843 [0,0,0,1,0,0|2,1,0]=4 189 B7R1.18 NC(=S)N1CCC1 P45469 [0,0,0,1,0,0|2,1,0]=4 190 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.18 O=C(O)C1COC1 A-970 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.18 O=C([O-])C1=CCC1 P50045 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.20 CC(C)NC1CC1 M23094 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.20 CC(O)CC1CC1 O29763 [0,0,0,1,0,0|1,0,2]=4 205 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.20 O=C(O)CC1CC1 F-4292 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.20 O=C(O)CC1CO1 P45743 [0,0,0,1,0,0|3,0,0]=4 208 B4R0.1 C#CC(C)=O P41295 [2,0,0,0,0,0|0,0,2]=4 209 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,0]=3 211 B4R0.2 C#COCC P35055 [2,0,0,0,0,0|0,0,2]=4 212 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|1,0,1]=4 213 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,0]=3 216 B4R0.2 COCCI O28025 [2,0,0,0,0,0|1,0,0]=3 217 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|1,1,0]=4 218 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|1,1,0]=4 219 B6R0.1 CCC(=O)CC#N P38761 [1,1,0,0,0,0|1,0,1]=4 220 B6R0.1 CCC[C@@H](N)CO P35977 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.1 CCC[C@H](N)CO P39535 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.1 CCNC(=O)CN P39222 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.1 CCNC(=O)NC M15284 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.1 CCOC(=N)CCl P38507 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.1 CNC(=O)CCCl P38167 [1,1,0,0,0,0|1,0,0]=3 227 B6R0.1 CNC(=O)CCN P37692 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.1 CNCC(=O)NC P37691 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.1 CNCC(=O)NC P38046 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.2 CC(=O)NC(C)C P50955 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,1,0,0,0,0|0,0,2]=4 232 B6R0.2 CC(N)CN(C)C P42731 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.2 CN(C)CC(N)=O P36935 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.2 C[C@@H](N)CN(C)C P38236 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.2 C[C@H](N)CN(C)C P35926 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|1,0,0]=3 242 B6R0.3 CCC(C)C(C)N O31127 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.3 CCC(N)C(C)O L20519 [1,1,0,0,0,0|0,0,2]=4 244 B6R0.3 CCC(N)C(N)=O P35312 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.3 CNC(C)C(N)=O P41317 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.3 C[C@H](CN)C(=O)O Q69061 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.3 C[C@H](CN)C(=O)O Q69064 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.3 C[C@H](CO)C(=O)O 10021 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.3 NCC(N)C(=O)O P37494 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.3 NCC(O)C(=O)O O28965 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 NC[C@@H](O)C(=O)O 10685 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.3 NC[C@H](N)C(=O)O P40075 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.5 CCCS(N)(=O)=O O34092 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.5 CS(=O)(=O)CCBr H-8028 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.5 CS(=O)(=O)CCCl O31078 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.5 CS(=O)(=O)CCN P43261 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.6 CNCCCCN L19491 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.6 CNCCCOC P37437 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.6 COCCCCN O29739 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.6 NCCOCCN P39125 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.6 OCCOCCBr P37296 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.6 OCCOCCI P41754 [1,1,0,0,0,0|1,0,1]=4 270 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,2,0,0,0,0|1,0,0]=3 273 B8R0.5 COCC(O)CC(=O)O F-4460 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl H-8722 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.24 CCC(C)OS(C)(=O)=O L13589 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.1 C=CCOC(=O)CCC Q69608 [0,2,0,0,0,0|0,0,2]=4 285 B8R0.1 CCC#CC(=O)OCC Q56870 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.1 CCCNC(=O)CCN P42190 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.1 CCCNC(=O)CNC P35278 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.1 CCCNC(=O)CNC P42832 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.6 CNCCCC(=O)OC H-8710 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.6 COC(=O)CCCCN P38983 [0,2,0,0,0,0|1,0,0]=3 292 B8R0.8 CC(=O)N(C)CCCN P35843 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.8 CC(C)C(=O)NCCN P37576 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.8 CNCCC(=O)N(C)C P40566 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,2,0,0,0,0|1,0,0]=3 298 B8R0.9 CCC(C)OCC(=O)O P34749 [0,2,0,0,0,0|1,0,0]=3 299 B8R0.9 COC(=O)CNC(C)=O P42621 [0,2,0,0,0,0|1,0,1]=4 300 B8R0.9 NCC(=O)NCC(F)F P51197 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.7 C#CCCCCC(=O)O P38906 [0,2,0,0,0,0|2,0,0]=4 302 B8R0.7 CNCCCCC(=O)O P35932 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.7 CNCCCNC(C)=O P37409 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.7 NCCCCNC(N)=O L20055 [0,2,0,0,0,0|2,0,0]=4 305 B8R0.7 NCCOCCC(=O)O P41214 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.21 C#CCCOS(C)(=O)=O P36412 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.21 CS(=O)(=O)NCCCN P35493 [0,2,0,0,0,0|2,0,0]=4 308 B8R0.21 C[Si](C)(C)OCCCN L20530 [0,2,0,0,0,0|1,1,0]=4 309 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.28 CC(C)CNCC(=O)O P38861 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.29 CC(=O)CCC(F)(F)F F-4856 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.29 CC(=O)OC[B-](F)(F)F 10107 [0,2,0,0,0,0|2,0,0]=4 315 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|1,0,1]=4 316 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|1,0,1]=4 317 B6R1.2 IC1CCCC1 I-9679 [1,0,0,1,0,0|1,0,1]=4 318 B6R1.2 NN1CCCC1 M23462 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|1,0,0]=3 323 B6R1.2 S=C1NCCO1 O31137 [1,0,0,1,0,0|1,1,0]=4 324 B6R1.5 C=C1CC(N)C1 P48610 [1,0,0,1,0,0|2,0,0]=4 325 B6R1.5 C=C1CC(O)C1 P45320 [1,0,0,1,0,0|2,0,0]=4 326 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|0,0,0]=2 327 B6R1.5 CC1CC(C)N1 P47027 [1,0,0,1,0,0|1,0,1]=4 328 B6R1.5 CC1CC(C)N1 P48835 [1,0,0,1,0,0|1,0,1]=4 329 B6R1.5 CC1CC(N)C1 P44935 [1,0,0,1,0,0|1,0,1]=4 330 B6R1.5 CC1CC(N)C1 P44936 [1,0,0,1,0,0|1,0,1]=4 331 B6R1.5 CC1CC(O)C1 P44316 [1,0,0,1,0,0|0,0,2]=4 332 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|1,0,0]=3 333 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|1,0,0]=3 334 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [1,0,0,1,0,0|1,0,1]=4 335 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [1,0,0,1,0,0|1,0,1]=4 336 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [1,0,0,1,0,0|1,0,1]=4 337 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [1,0,0,1,0,0|1,0,1]=4 338 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [1,0,0,1,0,0|0,0,2]=4 339 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [1,0,0,1,0,0|1,0,1]=4 340 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [1,0,0,1,0,0|1,0,1]=4 341 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [1,0,0,1,0,0|1,0,1]=4 342 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [1,0,0,1,0,0|0,0,2]=4 343 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|1,0,0]=3 344 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|1,0,0]=3 347 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|1,0,0]=3 348 B6R1.10 CC1(Br)CCC1 P45156 [1,0,0,1,0,0|1,0,1]=4 349 B6R1.10 CC1(I)CCC1 P44701 [1,0,0,1,0,0|1,0,1]=4 350 B6R1.10 CC1(N)CCC1 L13595 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.10 CC1(N)CCC1 P45646 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.10 CC1(O)CCC1 P39996 [1,0,0,1,0,0|0,0,2]=4 353 B6R1.11 CC(N)C1CC1 A-640 [1,0,0,1,0,0|1,0,1]=4 354 B6R1.11 CC(N)C1CC1 A-640-HCL [1,0,0,1,0,0|1,0,1]=4 355 B6R1.11 C[C@@H](N)C1CC1 P46530 [1,0,0,1,0,0|1,0,1]=4 356 B6R1.11 C[C@H](N)C1CC1 L14639 [1,0,0,1,0,0|1,0,1]=4 357 B6R1.11 C[C@H](O)C1CC1 K13410 [1,0,0,1,0,0|0,0,2]=4 358 B6R1.1 C1=CCNCC1 C-2421 [1,0,0,1,0,0|2,0,0]=4 359 B6R1.1 C1=CCOCC1 G-7030 [1,0,0,1,0,0|2,0,0]=4 360 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|1,0,0]=3 361 B6R1.4 CC1CNC1C P45190 [1,0,0,1,0,0|1,0,1]=4 362 B6R1.4 CC1CNC1C P46961 [1,0,0,1,0,0|1,0,1]=4 363 B6R1.4 CC1OCC1=O L18036 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.4 CC1OCC1Br Q56171 [1,0,0,1,0,0|1,0,1]=4 365 B6R1.4 CC1OCC1I Q56172 [1,0,0,1,0,0|1,0,1]=4 366 B6R1.4 CC1OCC1N Q56170 [1,0,0,1,0,0|1,0,1]=4 367 B6R1.4 CC1OCC1O L18037 [1,0,0,1,0,0|1,0,1]=4 368 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [1,0,0,1,0,0|1,0,1]=4 370 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|2,0,0]=4 372 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|2,0,0]=4 374 B6R1.4 O=C1CCC1Br P49445 [1,0,0,1,0,0|2,0,0]=4 375 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.4 O=C1NCC1O P45440 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.6 BrCC1CCO1 F-4066 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.6 CCC1CNC1 P45196 [1,0,0,1,0,0|2,0,0]=4 381 B6R1.6 CCC1CNC1 P47098 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.6 CNC1CCC1 O34360 [1,0,0,1,0,0|2,0,0]=4 383 B6R1.6 CNC1CCC1 P45733 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.6 ICC1CCO1 G-7249 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.6 NCC1CCO1 F-4044 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.6 NC[C@@H]1CCO1 Q56226 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.6 NC[C@H]1CCO1 Q64388 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.6 O=CC1COC1 L21547 [1,0,0,1,0,0|2,0,0]=4 389 B6R1.6 OCC1CCO1 F-4043 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.6 OC[C@@H]1CCO1 Q56225 [1,0,0,1,0,0|1,0,1]=4 391 B6R1.6 OC[C@H]1CCO1 Q53294 [1,0,0,1,0,0|1,0,1]=4 392 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,1,0,1,0,0|0,0,1]=3 394 B8R1.1 CNC1CNC(=O)C1 L19088 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.1 NCC1CNC(=O)O1 L13152 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.1 NCC1COC(=O)N1 L13942 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.1 O=C1CC(CO)CN1 M22864 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|0,0,0]=2 415 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,1,0,1,0,0|1,1,0]=4 430 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,1,0,1,0,0|1,1,0]=4 432 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.4 CC1CC(N)CCO1 A-878 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.4 CC1CC(O)CCO1 A-877 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|0,0,0]=2 442 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.4 NC1COCC(=O)C1 P46448 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.4 NC1COCC(=O)C1 Q61511 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,1,0,0|0,0,1]=3 468 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.4 O=C1COCC(F)C1 Q54617 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.18 CN1CC(N)CC1=O I-9643 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.18 CN1CC(O)CC1=O Q59318 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.20 CC1CC1CC(=O)O O29360 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.31 CC1CCC1C(=O)O P45629 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.31 CC1NCC1C(=O)O L22133 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.31 CN1CCC1C(=O)O P49637 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.31 NC(=O)C1CCC1N F-4228 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.31 NC1CCC1C(=O)O P47809 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.31 NC1COC1C(=O)O Q56135 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.31 O=C(O)C1CCC1F P47126 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.31 O=C(O)C1CCC1O P49194 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.34 CC(=O)C=C1CNC1 P46729 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.34 CC(=O)CC1CCC1 P48892 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.34 CC(=O)NC1CNC1 P44173 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.34 CC(=O)OC1CNC1 P42388 [0,1,0,1,0,0|0,0,0]=2 509 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,1,0,1,0,0|0,1,0]=3 510 B8R1.34 CC(=O)SC1CNC1 P50614 [0,1,0,1,0,0|0,1,0]=3 511 B8R1.34 CC(C)=CN1CCC1 P45148 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.34 CC(C)OC1CNC1 I-9143 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.34 NC(=O)CC1CNC1 P47102 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.34 NC(=O)CC1CNC1 P48716 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.34 NC(=O)NC1CCC1 P45216 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.34 O=C(O)CC1CCC1 P44572 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.34 O=C(O)CC1CCN1 P44826 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.34 O=C(O)CC1CNC1 M22650 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.34 O=C(O)CC1CNC1 P46867 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.34 O=C(O)CC1COC1 F-4181 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.40 COC(=O)CC1CC1 G-7131 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.40 NCC(=O)NC1CC1 P36714 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.51 CC1(C)COC(=S)N1 O31778 [0,1,0,1,0,0|1,1,0]=4 539 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.51 C[C@@H]1COS(=O)(=O)O1 O34489 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.51 C[C@H]1COS(=O)(=O)O1 O34412 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.62 CC1(CO)CC(=O)C1 G-7478 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.2 BrCC1=CCCCC1 G-7545 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.2 C#CC1CCCCO1 Q62780 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,1,0,0|0,0,1]=3 552 B8R1.2 OCC1=CCCCO1 Q54672 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,1,0,1,0,0|0,0,2]=4 554 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,1,0,1,0,0|0,0,2]=4 555 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.3 CC1CCC(=O)NC1 L13409 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.3 CC1CNC(=O)CN1 P35228 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.3 CC1COC(C)CN1 P42779 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,1,0,1,0,0|0,0,1]=3 581 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.5 NN1CCCCC1=O B-1138 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|0,0,0]=2 613 B8R1.10 CCCOC1CNC1 O30745 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.10 CCCOC1CNC1 P44923 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.22 O=C1CCCNCC1 A-576 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.22 O=C1CCNCCN1 Q52595 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.22 O=C1CNCCCN1 O34379 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.22 O=C1CNCCNC1 P46870 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.38 C=CC(=O)N1CCC1 P44698 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.38 CCC(=O)C1CCC1 P45339 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.38 CCC(=O)C1COC1 Q56142 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.38 CNC(=O)C1CCC1 P49094 [0,1,0,1,0,0|1,0,0]=3 623 B8R1.38 CNC(=O)C1CNC1 P45048 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.38 CNC(=O)C1CNC1 P45049 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.38 NCC(=O)C1CCC1 L19863 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.38 NCC(=O)N1CCC1 P42497 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.38 NNC(=O)C1CCC1 P44614 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.38 O=C(CBr)N1CCC1 P44519 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.38 O=C(CCl)N1CCC1 P34713 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.50 CC1=C(O)COC1=O O32297 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.50 CC1CCN(C)C1=O O30589 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.52 CC1(C=O)CCCC1 Q57127 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.52 CC1(CN)CCCO1 G-6526 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.52 CC1(CN)CCCO1 O33458 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.6 CCCC1CC(=O)C1 P45457 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.6 CCOC1CC(=O)C1 P45782 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.6 COCC1CC(=O)C1 P42770 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.6 N#CCC1CC(=O)C1 L18034 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.7 CC(=O)C1CCCN1 P37169 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.7 CC(=O)C1CCNC1 O31491 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.7 CC(=O)C1NCCS1 M15825 [0,1,0,1,0,0|1,1,0]=4 657 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.7 NC(=O)C1CCCC1 P38833 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.7 NC(=O)C1CCCN1 P39079 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.7 NC(=O)C1CCCN1 P42514 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.35 O=C(O)CCC1CC1 P37405 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.48 CC1(C)OCC1CO Q52794 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.72 CC1(C)CNCCO1 H-8786 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.72 CC1(C)CNCCO1 L14122 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.72 CC1(N)CCCOC1 H-8277 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.72 CC1(N)CCCOC1 H-8277-1 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.72 CC1(O)CCCOC1 Q65022 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.23 CC(=O)N1CC(=O)C1 P47097 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.23 CC(=O)N1CC(N)C1 G-6033 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.23 CC(=O)N1CC(N)C1 P44093 [0,1,0,1,0,0|1,0,0]=3 692 B8R1.23 CC(=O)N1CC(O)C1 L21515 [0,1,0,1,0,0|1,0,0]=3 693 B8R1.23 CC(C)C1CC(=O)N1 P45240 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.23 CC(F)C1CC(=O)C1 P46360 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.23 CC(O)C1CC(=O)C1 P46310 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.23 CN(C)C1CC(=O)C1 P48380 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.23 NC(=O)C1CC(N)C1 P48836 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|2,0,0]=4 710 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.23 O=C1CC(C(F)F)C1 P48065 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.78 CC(=O)C1(C)COC1 C-2927 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.78 CC(=O)C1(F)CNC1 P50378 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.78 NC(=O)C1(Br)CCC1 P45535 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.78 NC(=O)C1(N)CCC1 L20709 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.78 NC(=O)C1(N)CCC1 P44318 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.78 NC(=O)C1(O)CCC1 P49176 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.78 NC1(C(=O)F)CCC1 P46353 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.78 NC1(C(=O)O)CCC1 L13534 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.78 O=C(O)C1(F)CCC1 P46428 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.78 O=C(O)C1(O)CCC1 L14796 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.78 O=C(O)C1(S)CCC1 P47778 [0,1,0,1,0,0|2,0,0]=4 735 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|1,0,0]=3 736 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|1,0,0]=3 737 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|1,0,0]=3 738 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,2,0,0|2,0,0]=4 739 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,2,0,0|1,0,0]=3 740 B8R2.53 O=C1CC2(CC2)C1 P46452 [0,0,0,2,0,0|1,0,0]=3 741 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|2,0,0]=4