0 B6R0.2 CC(=O)NC(C)C P50955 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.2 CC(N)CN(C)C P42731 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.2 CC(O)CC(=O)O P38963 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CN(C)CC(N)=O P36935 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 C[C@@H](N)CN(C)C P38236 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 C[C@H](N)CN(C)C P35926 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C=C(C)CON P51484 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(O)CON M15150 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CNCC(F)F P41399 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 COCC(=N)N O34478 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.2 C#CC(=O)OC(C)C S86242 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.2 C=CC(=O)CC(C)C L19279 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.2 CC(C)NC(=O)CBr P36229 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.2 CC(C)NC(=O)CN P36647 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.2 CC(C)NC(=O)CN P37073 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.2 CNC(=O)CC(=O)O P38150 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 COC(=O)CC(C)N P41489 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.2 COC(=O)CN(C)C P36457 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 NCC(O)CC(=O)O P35068 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.9 CS(=O)(=O)CC(=N)N L20954 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.16 CC(N)C(=O)N(C)C P42081 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.16 CC(N)C(=O)N(C)C P42198 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.16 C[C@@H](N)C(=O)N(C)C P39515 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.16 C[C@@H](N)C(=O)N(C)C P41438 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.16 C[C@H](N)C(=O)N(C)C P36061 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.16 C[C@H](N)C(=O)N(C)C P42054 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.2 CC1=NC(=O)NN1 O30153 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 CN1C=C(N)C=N1 A-868 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.2 CN1C=CC(=O)N1 Q61559 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.2 CN1C=CC(N)=N1 I-9167 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 CN1CCC(Br)C1 Q53645 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 CN1CCC(N)C1 C-2205 [0,0,0,1,0,0|1,0,1]=3 61 B7R1.2 CN1CCC(N)C1 O28463 [0,0,0,1,0,0|1,0,1]=3 62 B7R1.2 CN1CCC(O)C1 C-3294 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,0,0,1,0,0|1,0,1]=3 64 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,0,0,1,0,0|1,0,1]=3 65 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,0,0,1,0,0|1,0,1]=3 67 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,0,0,1,0,0|1,0,1]=3 68 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,0,0,1,0,0|1,0,1]=3 69 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.2 NC1CNC(=O)C1 G-6478 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.2 NC1CNC(=O)C1 L13560 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 O=C1CNC(=O)C1 L18257 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.16 CC1(C)CC(N)C1 L21546 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.16 CC1(C)CC(N)C1 P44151 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.16 CC1CC(C)(C)N1 P45491 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.16 CC1CC(C)(C)N1 P49429 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.16 CN1CC(C)(N)C1 P47105 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.16 CN1CC(C)(N)C1 P48008 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.20 O=C(O)CC1CC1 F-4292 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.20 O=C(O)CC1CO1 P45743 [0,0,0,1,0,0|3,0,0]=4 110 B5R0.5 CC(C)S(N)=O O29745 [0,0,0,0,1,0|2,0,0]=3 111 B5R0.5 CC(Cl)C(=N)N L21176 [0,0,0,0,1,0|3,0,0]=4 112 B5R0.5 CC(N)C(N)=O P37963 [0,0,0,0,1,0|2,0,0]=3 113 B5R0.5 CC(O)C(N)=O P39940 [0,0,0,0,1,0|2,0,0]=3 114 B5R0.5 C[C@@H](O)C(=N)N P38252 [0,0,0,0,1,0|3,0,0]=4 115 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,0,0,0,1,0|2,0,0]=3 116 B5R0.5 C[C@H](O)C(=N)N P41718 [0,0,0,0,1,0|3,0,0]=4 117 B7R0.6 CC(=O)OCC(C)O P36972 [0,0,0,0,0,1|3,0,0]=4 118 B7R0.6 CC(C)=CCC(=O)O P43260 [0,0,0,0,0,1|2,0,0]=3 119 B7R0.6 CC(C)OCC(=O)O P38749 [0,0,0,0,0,1|2,0,0]=3 120 B4R0.1 C#CC(N)=O O30795 [2,0,0,0,0,0|0,0,2]=4 121 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.1 CC(S)CN L19389 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 C#CCNC P38619 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.2 C=CCNN O31326 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.1 CCN(C)CCO Q66070 [1,1,0,0,0,0|0,0,2]=4 131 B6R0.1 CCNC(=O)CN P39222 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.1 CCNC(=O)NC M15284 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.1 CNC(=O)CCCl P38167 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.1 CNC(=O)CCN P37692 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.1 CNCC(=O)NC P37691 [1,1,0,0,0,0|0,0,0]=2 136 B6R0.1 CNCC(=O)NC P38046 [1,1,0,0,0,0|0,0,0]=2 137 B6R0.3 CC(C)C(C)NN P42479 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.3 CC(C)C(O)CN P40479 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.3 CCC(N)C(N)=O P35312 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.3 CN(C)C(=O)CN P36418 [1,1,0,0,0,0|0,0,2]=4 145 B6R0.3 CNC(C)C(N)=O P41317 [1,1,0,0,0,0|0,0,0]=2 146 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 C#CCOC(N)=O O30954 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.4 CC(C)CCON L20789 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.4 CCNCC(N)=O P36580 [1,1,0,0,0,0|0,0,0]=2 151 B6R0.4 CN(C)CCCBr O34500 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|1,0,0]=3 153 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.4 CNCCC(N)=O P37896 [1,1,0,0,0,0|0,0,0]=2 155 B6R0.4 O=CNCC(=O)O P39379 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.5 CC(C)(C)CCN O30845 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.5 CC(C)(C)CNN H-8571 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.5 CC(C)(O)CCN M22892 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.5 CC(C)(O)CNN H-8573 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.5 CCCS(N)(=O)=O O34092 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.7 CC(C)(C)S(N)=O G-6674 [0,1,0,0,1,0|2,0,0]=4 162 B6R0.7 CC(C)(N)C(N)=O P40473 [0,1,0,0,1,0|1,0,0]=3 163 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,1,0,0,0,1|2,0,0]=4 164 B8R0.9 CCC(C)OCC(=O)O P34749 [0,1,0,0,0,1|2,0,0]=4 165 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,1,0,0,0,1|2,0,0]=4 166 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,1,0,0,0,1|2,0,0]=4 167 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,1,0,0,0,1|2,0,0]=4 168 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,1,0,0,0,1|2,0,0]=4 169 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,1,0,0,0,1|2,0,0]=4 170 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,1,0,0,0,1|2,0,0]=4 171 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,1,0,0,0,1|2,0,0]=4 172 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,1,0,0,0,1|1,0,0]=3 173 B8R0.29 CC(C)(C)NCC(=O)O P37230 [0,1,0,0,0,1|2,0,0]=4 174 B8R0.29 CC(C)(C)OCC(=O)O P41693 [0,1,0,0,0,1|2,0,0]=4 175 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,2,0,0,0,0|2,0,0]=4 176 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.2 CNC(=O)C(N)C(C)C P40222 [0,2,0,0,0,0|1,0,0]=3 178 B8R0.2 CNC(=O)[C@@H](N)C(C)C Q66204 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.5 CNCC(=O)NC(C)C P37714 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.5 CNCC(=O)NC(C)C P42287 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.16 CCN(CC)CC(=O)O P40850 [0,2,0,0,0,0|1,0,0]=3 182 B8R0.16 CCN(CC)C[C@@H](C)N P36009 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.16 CCN(CC)C[C@H](C)N P36511 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.16 CN(C)CC(CN)CN P44792 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.24 CC(C)(C)OC(=O)CN P36852 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.24 CNC(=O)OC(C)(C)C P40845 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.37 CN(C)C(C)(C)C(=O)O P34770 [0,2,0,0,0,0|1,0,0]=3 207 B6R1.2 CC1CCNC1 M22664 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.2 CN1CC=CC1 Q61507 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,1,0,0|1,0,1]=4 211 B6R1.2 FC1=CCNC1 Q63558 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|1,0,0]=3 213 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|1,0,0]=3 214 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.3 NCCC1CC1 G-5988 [1,0,0,1,0,0|1,0,1]=4 217 B6R1.3 NCCN1CC1 P45652 [1,0,0,1,0,0|0,0,1]=3 218 B6R1.3 NNCC1CC1 H-8575 [1,0,0,1,0,0|2,0,0]=4 219 B6R1.3 NNCC1CC1 I-9542 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.3 NNCC1CC1 K12084 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.3 NNCC1CC1 L13728 [1,0,0,1,0,0|2,0,0]=4 222 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|1,0,0]=3 223 B6R1.5 CC1CC(N)C1 P44935 [1,0,0,1,0,0|1,0,1]=4 224 B6R1.5 CC1CC(N)C1 P44936 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|0,0,0]=2 226 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|0,0,0]=2 227 B6R1.5 CN1CC(Cl)C1 P45381 [1,0,0,1,0,0|1,0,1]=4 228 B6R1.5 CN1CC(Cl)C1 Q56193 [1,0,0,1,0,0|1,0,1]=4 229 B6R1.5 CN1CC(N)C1 C-2453 [1,0,0,1,0,0|0,0,1]=3 230 B6R1.5 CN1CC(N)C1 O28765 [1,0,0,1,0,0|0,0,1]=3 231 B6R1.5 CN1CC(O)C1 C-2454 [1,0,0,1,0,0|0,0,2]=4 232 B6R1.5 CN1CC(O)C1 C-2454-1 [1,0,0,1,0,0|0,0,2]=4 233 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [1,0,0,1,0,0|1,0,1]=4 234 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [1,0,0,1,0,0|1,0,1]=4 235 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [1,0,0,1,0,0|1,0,1]=4 236 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [1,0,0,1,0,0|1,0,1]=4 237 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|2,0,0]=4 238 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|2,0,0]=4 239 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|2,0,0]=4 241 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.10 CC1(C)CCN1 P49830 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.10 CC1(C)CCN1 P49838 [1,0,0,1,0,0|1,0,1]=4 244 B6R1.10 CC1(N)CNC1 C-3560 [1,0,0,1,0,0|1,0,1]=4 245 B6R1.10 CC1(N)CNC1 P48044 [1,0,0,1,0,0|1,0,1]=4 246 B6R1.4 CC1CCC1=O P47956 [0,0,0,1,1,0|2,0,0]=4 247 B6R1.4 NN1CCC1=O P48248 [0,0,0,1,1,0|2,0,0]=4 248 B6R1.4 N[C@@H]1CNC1=O P44692 [0,0,0,1,1,0|2,0,0]=4 249 B6R1.4 N[C@@H]1CNC1=O P50494 [0,0,0,1,1,0|2,0,0]=4 250 B6R1.4 N[C@H]1CNC1=O P44185 [0,0,0,1,1,0|2,0,0]=4 251 B6R1.4 N[C@H]1CNC1=O Q52584 [0,0,0,1,1,0|2,0,0]=4 252 B6R1.4 O=C1NCC1O P45440 [0,0,0,1,1,0|2,0,0]=4 253 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,1,0,1|1,0,0]=3 254 B8R1.3 CC1CNC(=O)CN1 P35228 [0,0,0,1,0,1|1,0,0]=3 255 B8R1.3 CN1CCC(N)CC1 G-5240 [0,0,0,1,0,1|1,0,1]=4 256 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,1,0,1|2,0,0]=4 257 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,1,0,1|2,0,0]=4 258 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,0,0,1,0,1|1,0,0]=3 259 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,1,0,1|2,0,0]=4 260 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,1,0,1|2,0,0]=4 261 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,0,0,1,0,1|1,0,0]=3 262 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,0,0,1,0,1|2,0,0]=4 263 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,0,0,1,0,1|2,0,0]=4 264 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,0,0,1,0,1|2,0,0]=4 265 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,1,0,1|2,0,0]=4 266 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,0,0,1,0,1|2,0,0]=4 267 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,1,0,1|2,0,0]=4 268 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,1|2,0,0]=4 269 B8R1.23 CC(C)C1CC(=O)N1 P45240 [0,0,0,1,0,1|1,0,0]=3 270 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,0,0,1,0,1|2,0,0]=4 271 B8R1.23 CN(C)C1CC(=O)C1 P48380 [0,0,0,1,0,1|1,0,0]=3 272 B8R1.23 CN(C)C1CC(N)C1 P49254 [0,0,0,1,0,1|1,0,1]=4 273 B8R1.23 CN(C)C1CC(N)C1 P49255 [0,0,0,1,0,1|1,0,1]=4 274 B8R1.23 CN(C)[C@H]1C[C@@H](N)C1 P46927 [0,0,0,1,0,1|1,0,1]=4 275 B8R1.23 CN(C)[C@H]1C[C@H](N)C1 P46926 [0,0,0,1,0,1|1,0,1]=4 276 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,0,0,1,0,1|1,0,0]=3 277 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,0,0,1,0,1|2,0,0]=4 278 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,0,0,1,0,1|2,0,0]=4 279 B8R1.23 NC(=O)C1CC(N)C1 P48836 [0,0,0,1,0,1|2,0,0]=4 280 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,0,1,0,1|2,0,0]=4 281 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,0,0,1,0,1|2,0,0]=4 282 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,0,0,1,0,1|2,0,0]=4 283 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,0,0,1,0,1|2,0,0]=4 284 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,0,0,1,0,1|1,0,0]=3 285 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,0,0,1,0,1|2,0,0]=4 286 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,0,0,1,0,1|1,0,0]=3 287 B8R1.51 CC1(C)COC(=S)N1 O31778 [0,0,0,1,0,1|1,1,0]=4 288 B8R1.1 CCN1CCC(N)C1 L21975 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.1 CCN1CCC(N)C1 O30179 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.1 CCN1CC[C@@H](N)C1 L21955 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.1 CCN1CC[C@H](N)C1 L21974 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.1 CNC1CCN(C)C1 G-5265 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.1 CNC1CNC(=O)C1 L19088 [0,1,0,1,0,0|1,0,0]=3 297 B8R1.1 CN[C@@H]1CCN(C)C1 I-9892 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.1 CN[C@H]1CCN(C)C1 I-9891 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.1 NCC1CNC(=O)O1 L13152 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.1 O=C1CC(CO)CN1 M22864 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.4 CN1CCCC(N)C1 C-3293 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.18 CC1=CC(N)=NN1C Q61545 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.18 CN1CC(N)CC1=O I-9643 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.18 CN1CC(O)CC1=O Q59318 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.18 CN1C[C@H](N)[C@H](O)C1 L22266 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.31 CC1CCC1C(=O)O P45629 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.31 CC1NCC1C(=O)O L22133 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.31 CN1CCC1C(=O)O P49637 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.31 NC(=O)C1CCC1N F-4228 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.34 CC(=O)CC1CCC1 P48892 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.34 CN(C)CC1CNC1 F-4178 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.34 CN(C)CC1CNC1 P45257 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.34 CN(C)CC1CNC1 P45757 [0,1,0,1,0,0|1,0,1]=4 367 B8R1.34 CN(C)C[C@@H]1CCN1 P46633 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.34 CN(C)C[C@H]1CCN1 P46672 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.34 N=C(N)CC1CCC1 P48135 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.34 NC(=O)CC1CNC1 P47102 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.34 NC(=O)CC1CNC1 P48716 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.34 NC(=O)NC1CCC1 P45216 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.34 O=C(O)CC1CCC1 P44572 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.34 O=C(O)CC1CCN1 P44826 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.34 O=C(O)CC1CNC1 M22650 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.34 O=C(O)CC1CNC1 P46867 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.34 O=C(O)CC1COC1 F-4181 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.40 COC(=O)CC1CC1 G-7131 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.40 NCC(=O)NC1CC1 P36714 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.62 CC1(CO)CC(=O)C1 G-7478 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.62 CN1CC(F)(CN)C1 P46274 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.62 CN1CC(O)(CN)C1 P50279 [0,1,0,1,0,0|0,0,2]=4 389 B8R1.56 NS(=O)(=O)CC1CC1 H-8361 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|2,0,0]=4 398 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|2,0,0]=4 399 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|2,0,0]=4 400 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|2,0,0]=4 401 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,2,0,0|1,0,0]=3 402 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|2,0,0]=4 403 B8R2.53 O=C1CC2(CC2)C1 P46452 [0,0,0,2,0,0|2,0,0]=4 404 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,0,0,0,0,2|2,0,0]=4 405 B8R0.28 CC(C)CNCC(=O)O P38861 [0,0,0,0,0,2|2,0,0]=4 406 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [0,0,0,0,0,2|1,0,0]=3