0 B6R0.3 CC(C)[C@@H](F)CO AT16234 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CC(C)[C@@H](N)CF AC4773 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)[C@@H](N)CF AC5313 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(C)[C@@H](N)CF AC7091 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CC(C)[C@@H](N)CO AT21568 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 COC(=O)[C@H](C)Br AT21844 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 C[C@H](O)C(=N)NO AT25257 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 O=C(CO)CBr AC6051 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.5 CC(=O)[C@H](C)N 91521 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.5 CC(C)[C@H](C)N AC5874 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.10 COC(=O)[C@@H](F)CN 94838 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.10 CON(C)C(=O)CF 78564 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.14 CC(C)(C)C(=O)ON AT24053 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.14 [2H]C([2H])([2H])C(=O)NC D98402 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.4 C[C@H]1CONC1=O D73580 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.4 O=C1CCNC1=O AT24684 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.8 COC1CCC1N AT20027 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.17 CC1(C)CCC1=O P17178 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.17 CC1(C)CNC1=O D72852 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.17 CC1(C)OCC1=O P17179 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.22 COC(=O)[C@@H]1CN1 63808 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.22 COC(=O)[C@@H]1CN1 63810 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.22 O=CC(=O)C1CC1 D74797 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [0,0,0,1,0,0|2,0,1]=4 36 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 [2H][C@@H](C)CO D98056 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.1 COC[C@@H](F)CN P20360 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.1 COC[C@@H](N)CO 91278 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.1 COC[C@@H](N)CO D75105 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.1 COC[C@@H](N)CO D75106 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.5 CC(C)(O)CON D75282 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.8 CCS(=N)(=O)CC AT25733 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.7 CC(C)(C)B(O)O AT22191 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.7 C[C@H](Cl)C(C)(C)O D86388 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.7 O=C(O)C(F)(F)F 98164 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.7 O=C(O)C(F)(F)F AT22547 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.7 [2H][C@@](C)(N)C(=O)O D98482 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.7 [2H][C@@](C)(N)C(=O)O D99309 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.7 [2H][C@@](C)(O)C(=O)[O-] D99583 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [0,1,0,0,0,1|1,0,0]=3 52 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,1,0,0,0,1|1,0,1]=4 53 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,1,0,0,0,1|0,0,0]=2 54 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,1,0,0,0,1|0,0,0]=2 55 B8R0.3 C#CC[C@H](N)C(=O)OC AT23617 [0,2,0,0,0,0|1,0,0]=3 56 B8R0.3 C=C(CF)C(=O)OCC C91938 [0,2,0,0,0,0|0,0,2]=4 57 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [0,2,0,0,0,0|1,0,1]=4 58 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,2,0,0,0,0|0,0,0]=2 59 B8R0.13 COC(=O)C(F)(F)CN AT15559 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.13 COC(=O)[C@@](C)(N)CN F51570 [0,2,0,0,0,0|0,0,0]=2 61 B8R0.13 COC(=O)[C@@](C)(N)CN F51937 [0,2,0,0,0,0|0,0,0]=2 62 B8R0.13 COC(=O)[C@@](C)(N)CO AT18253 [0,2,0,0,0,0|0,0,0]=2 63 B8R0.27 CN(C)C(=O)C(C)(C)N D77110 [0,2,0,0,0,0|1,0,0]=3 64 B6R1.8 COC1CC1N 92032 [1,0,0,1,0,0|1,0,1]=4 65 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [1,0,0,1,0,0|1,0,1]=4 66 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [1,0,0,1,0,0|1,0,1]=4 67 B6R1.10 CC1(C)CCN1 AT11216 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [1,0,0,1,0,0|0,0,1]=3 69 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [1,0,0,1,0,0|0,0,1]=3 70 B6R1.4 NN1CCC1=O 33382 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.4 N[C@H]1CCC1=O AT24523 [1,0,0,1,0,0|2,0,0]=4 72 B6R1.4 N[C@H]1CNC1=O P16451 [1,0,0,1,0,0|2,0,0]=4 73 B6R1.4 N[C@H]1CNC1=O P18336 [1,0,0,1,0,0|2,0,0]=4 74 B6R1.4 O=C1CC[C@@H]1O 94997 [1,0,0,1,0,0|2,0,0]=4 75 B6R1.4 O=C1NC[C@@H]1O D77141 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,1,0,1|2,0,0]=4 77 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [0,0,0,1,0,1|2,0,0]=4 78 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [0,0,0,1,0,1|2,0,0]=4 79 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [0,0,0,1,0,1|2,0,0]=4 80 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [0,0,0,1,0,1|2,0,0]=4 81 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,0,0,1,0,1|2,0,0]=4 82 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,0,0,1,0,1|2,0,0]=4 83 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,0,0,1,0,1|2,0,0]=4 84 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [0,0,0,1,0,1|2,0,0]=4 85 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,0,0,1,0,1|2,0,0]=4 86 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,0,0,1,0,1|0,0,1]=3 87 B8R1.40 NCC(=O)NC1CC1 D76973 [0,0,0,1,0,1|2,0,0]=4 88 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,0,0,1,0,1|2,0,0]=4 89 B8R1.51 CC1(C)CN=C(N)N1 AT25105 [0,0,0,1,0,1|2,0,0]=4 90 B8R1.51 CC1(C)CSC(=O)N1 AT20223 [0,0,0,1,0,1|0,1,0]=3 91 B8R1.51 CC1(C)NCC(=O)N1 F31287 [0,0,0,1,0,1|2,0,0]=4 92 B8R1.5 C[C@@H]1OCCN[C@@H]1C 90059 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.5 C[C@@H]1OCCN[C@@H]1C W15992 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.5 N[C@H]1COCCC1=O E73090 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.5 O=C1NCCOC1=O P10038 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.19 C[C@H]1CCNS1(=O)=O AT12412 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.19 C[C@]1(N)CCNC1=O AT19090 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.19 C[C@]1(N)CONC1=O D73598 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.19 C[C@]1(O)CCNC1=O 94941 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.37 O=C(OCCl)C1CC1 D85989 [0,1,0,1,0,0|0,0,0]=2 103 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.11 O=C1CCCN1CO D86008 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.12 CNC1CCC1OC AT11411 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,1,0,0|0,0,1]=3 109 B8R1.39 CC1(C(=O)CBr)CC1 AT13305 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.50 CN1CC[C@H](N)C1=O P18866 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.50 CN1CC[C@H](O)C1=O AT18767 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.50 CN1CC[C@H](O)C1=O D76675 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.58 C[C@]1(CN)CNC1=O P14354 [0,1,0,1,0,0|1,0,0]=3 121 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|1,0,0]=3 122 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|1,0,0]=3 123 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|1,0,0]=3 124 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|0,0,0]=2 125 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,0,0,0,0,2|1,0,0]=3 126 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,0,0,0,0,2|0,0,0]=2