0 B6R0.2 CC(N)CC(C)O AT23544 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 C[C@H](N)CN(C)C AT11416 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CCSC(=S)[S-] 78627 [1,0,0,0,0,0|1,2,0]=4 4 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.2 C[C@@H](CN)OC(F)F AT14877 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.9 CC(F)(F)CC(=O)O H11192 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.9 CP(C)(=O)CC(=O)O D76431 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.9 [2H]C([2H])([2H])NC(C)=O D99095 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.16 CC1(O)CC(=O)C1 AT22537 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.16 C[C@H]1CC(C)(C)N1 D86024 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.20 NC(=O)CC1CC1 D72924 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.20 O=C(Cl)OC1CC1 C77415 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.20 O=C(O)C=C1CC1 AT21198 [0,0,0,1,0,0|2,0,1]=4 38 B5R0.5 CC(=O)[C@H](C)N 91521 [0,0,0,0,1,0|1,0,0]=2 39 B5R0.5 CC(C)[C@H](C)N AC5874 [0,0,0,0,1,0|1,0,1]=3 40 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [0,0,0,0,1,0|1,0,2]=4 41 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,0,0,0,1,0|2,0,0]=3 42 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,0,0,0,0,1|3,0,0]=4 43 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.5 C[N+](C)(C)CC=O C77425 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.7 C[C@H](Cl)C(C)(C)O D86388 [0,1,0,0,1,0|1,0,1]=4 48 B6R0.7 [2H][C@@](C)(N)C(=O)O D98482 [0,1,0,0,1,0|2,0,0]=4 49 B6R0.7 [2H][C@@](C)(N)C(=O)O D99309 [0,1,0,0,1,0|2,0,0]=4 50 B6R0.7 [2H][C@@](C)(O)C(=O)[O-] D99583 [0,1,0,0,1,0|2,0,0]=4 51 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,1,0,0,0,1|2,0,0]=4 52 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,1,0,0,0,1|1,0,0]=3 53 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,1,0,0,0,1|2,0,0]=4 54 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,2,0,0,0,0|2,0,0]=4 56 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.24 CS(C)(=O)=NC(=O)CN AT25745 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.34 CC(=O)OC(C)(C)CO C90621 [0,2,0,0,0,0|0,0,0]=2 62 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D99110 [0,2,0,0,0,0|2,0,0]=4 63 B6R1.5 O=C1C[C@H](F)N1 D72810 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.8 O=CC1CC1Cl C77400 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.10 CC1(C)CCN1 AT11216 [1,0,0,1,0,0|1,0,1]=4 67 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.4 CC1CCC1N AT10478 [0,0,0,1,1,0|1,0,1]=4 70 B6R1.4 CC1CCC1O AC8042 [0,0,0,1,1,0|0,0,2]=4 71 B6R1.4 CC1CNC1C E72893 [0,0,0,1,1,0|1,0,1]=4 72 B6R1.4 NN1CCC1=O 33382 [0,0,0,1,1,0|2,0,0]=4 73 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,1,1,0|1,0,0]=3 74 B6R1.4 N[C@H]1CNC1=O P16451 [0,0,0,1,1,0|2,0,0]=4 75 B6R1.4 N[C@H]1CNC1=O P18336 [0,0,0,1,1,0|2,0,0]=4 76 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,1,1,0|1,0,0]=3 77 B6R1.4 O=C1NC[C@@H]1O D77141 [0,0,0,1,1,0|2,0,0]=4 78 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,0,0,1,0,1|2,0,0]=4 79 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,0,0,1,0,1|1,0,1]=4 80 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,0,0,1,0,1|1,0,0]=3 81 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,0,0,1,0,1|1,0,0]=3 82 B8R1.20 CC1CC1CC(=O)O E72880 [0,0,0,1,0,1|2,0,0]=4 83 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,0,0,1,0,1|2,0,0]=4 84 B8R1.35 O=C(O)COC1CC1 AT13750 [0,0,0,1,0,1|1,0,0]=3 85 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,0,0,1,0,1|0,0,0]=2 86 B8R1.51 CC1(C)CSC(=O)N1 AT20223 [0,0,0,1,0,1|1,1,0]=4 87 B8R1.51 CC1(C)NCC(=O)N1 F31287 [0,0,0,1,0,1|2,0,0]=4 88 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,1,0,1,0,0|0,0,2]=4 94 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,1,0,1,0,0|1,1,0]=4 100 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.40 NCC(=O)NC1CC1 D76973 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.42 CC(=O)OC1(C)CC1 D96854 [0,1,0,1,0,0|0,0,0]=2 116 B8R1.42 CC1(CC(=O)O)CC1 D86405 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.42 NC1(CC(=O)O)CC1 F30393 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.43 COC1CC1C(=O)O C77471 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.43 NCC1CC1C(=O)O P17932 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.43 O=C(O)C1CC1CO D75978 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.53 CC1(C)C[C@H](CBr)O1 32846 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.53 CC1(C)C[C@H](CI)O1 CS2199 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.53 CC1(C)C[C@H](CO)O1 32851 [0,1,0,1,0,0|0,0,2]=4 135 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,1,0,1,0,0|2,0,0]=4 140 B8R2.18 O=C1CC2OC2C1 60055 [0,0,0,2,0,0|2,0,0]=4 141 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|1,0,0]=3 142 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|2,0,0]=4 143 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|2,0,0]=4 144 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|2,0,0]=4