0 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 12890 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.23 COC(=O)[C@@H](C)CN(C)C C80074 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.23 COC(=O)[C@@H](N)CC(N)=O F53379 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.23 COC(=O)[C@@H](N)CN(C)C AT25503 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.9 CC(C)CNC(=O)CN F21149 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.23 N[C@@H](CC(F)F)C(=O)O F53560 [1,0,0,0,0,0|3,0,0]=4 16 B10R0.32 CCOC(=O)C(=O)CC(C)C 25233 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.37 COC(=O)C(=O)OC(C)(C)C S10647 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.46 COC(=O)C[C@H](C)C(=O)OC 65404 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.56 COC(=O)[C@@H](C)C(=O)C(C)C AC6438 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 D80706 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.14 COC(=O)C1C=CC(N)C1 AT12408 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.14 COC(=O)C1C=CC(N)C1 AT26068 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.14 COC(=O)N1CC[C@H](O)C1 AT22495 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 F50103 [0,0,0,1,0,0|1,0,0]=2 26 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11714 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11808 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.413 COC(=O)C1=CC(C)(C)C1 P12476 [0,0,0,1,0,0|1,0,1]=3 31 B7R0.3 CNOCC(=O)OC AT14517 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.3 COC(=N)CCCCl C76486 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.3 COC(=O)CCCN 32601 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.3 COC(=O)NCCN AT13709 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 CNC[C@H](N)C(=O)O 88602 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 NCC[C@H](F)C(=O)O F19724 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.5 NCC[C@H](N)C(=O)O F10323 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.10 C=C(CC)C(=O)OC 82635 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.10 COC(=O)[C@@H](F)CN 94842 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.10 COC(=O)[C@@H](N)CO D87908 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.10 COC(=O)[C@@H](O)CN A11345 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.10 COC(=O)[C@H](C)OC 29231 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.6 CC(C)CC[C@H](C)N C11213 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.27 CCC(=O)[C@H](Cl)C(=O)OC D86386 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.60 COC[C@](C)(N)C(=O)OC AT12795 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.7 CC(C)COC(=O)[C@H](C)N F52315 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.7 CC(C)COC(=O)[C@H](C)N F52321 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.21 COC(=O)\C=C\C(C)(C)N E72573 [1,1,0,0,0,0|0,0,2]=4 55 B9R0.24 COC(=O)CC[S@](=O)OC CS2994 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21917 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.11 CC(C)C[C@](C)(O)C(=O)O C15677 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 28116 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.39 CN[C@@H](CC(C)C)C(=O)O AT23631 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C W16415 [0,1,0,0,1,0|2,0,0]=4 62 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69607 [0,1,0,0,1,0|1,0,0]=3 63 B9R0.28 COC(=O)C(C)(C)[C@H](C)N AT25926 [0,1,0,0,1,0|2,0,0]=4 64 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14617 [0,1,0,0,1,0|2,0,0]=4 65 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14618 [0,1,0,0,1,0|2,0,0]=4 66 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14619 [0,1,0,0,1,0|2,0,0]=4 67 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C O11887 [0,1,0,0,0,1|1,0,0]=3 68 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C V10266 [0,1,0,0,0,1|1,0,0]=3 69 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC W17109 [0,1,0,0,0,1|1,0,1]=4 70 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C 96973 [0,1,0,0,0,1|1,0,0]=3 71 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.11 CCC(=O)C1CCCC1 F53464 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.82 COC(=O)C1CC(N)C1 D78846 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 38015 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P12407 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.88 COC(=O)C1CC1CO D73969 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.101 COC(=O)[C@@H](N)C1CC1 D77035 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.186 COC(=O)C1(C)CCC1 57445 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.186 COC(=O)C1(O)CNC1 AC2419 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.10 CC1(C)CCC(=O)NC1 55120 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.35 CC(C)[C@@H]1CC(=O)CN1 94320 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.36 C[C@H]1CC(C)(C)NC1=O AT26047 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.164 CC1(O)CC(C(=O)O)C1 27418 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.169 CC1(C)C[C@@]1(Br)C(=O)O AT12983 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.169 CC1(C)C[C@@]1(F)C(=O)O AT12982 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.169 CC1(C)C[C@]1(C)C(=O)O AT12979 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.81 COC(=O)C1CCC1N P20420 [0,0,0,1,1,0|2,0,0]=4 98 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [0,0,0,1,1,0|2,0,0]=4 99 B11R1.39 COC(=O)C[C@@H]1C[C@H](O)CN1 F51547 [0,0,0,1,0,1|2,0,0]=4 100 B11R1.22 COC(=O)C1CCC(O)CN1 F30865 [0,0,0,1,0,1|2,0,0]=4 101 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 70015 [0,0,0,1,0,1|1,0,0]=3 102 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P14642 [0,0,0,1,0,1|1,0,0]=3 103 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P19193 [0,0,0,1,0,1|1,0,0]=3 104 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 W19558 [0,0,0,1,0,1|1,0,0]=3 105 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 AT21817 [0,0,0,1,0,1|1,0,0]=3 106 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 F12601 [0,0,0,1,0,1|1,0,0]=3 107 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 F12602 [0,0,0,1,0,1|1,0,0]=3 108 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.86 CN(C)C[C@H]1COCCC1=O F13488 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.351 CCOC(=O)C(=O)CC1CC1 P11469 [0,1,0,1,0,0|0,0,2]=4 113 B11R1.351 CCOC(=O)[C@@H](N)CC1CC1 F53735 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O AC6265 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.23 COC(=O)C1CC(O)CCN1 F30520 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.23 COC(=O)C1CCNC(C)C1 92946 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.23 COC(=O)C1CCNC(C)C1 F20889 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.23 COC(=O)C1CNCC(F)C1 92537 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 55807 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 D96778 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.23 COC(=O)[C@@H]1CN(C)CCO1 F14193 [0,1,0,1,0,0|1,0,0]=3 122 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AT22151 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 E72332 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P17832 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.44 COC(=O)C1CCC(C=O)C1 AT13554 [0,1,0,1,0,0|1,0,1]=4 126 B11R1.44 COC(=O)C1CCC(CO)C1 AT13550 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56604 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56611 [0,1,0,1,0,0|1,0,0]=3 129 B11R1.44 COC(=O)[C@@H]1C[C@H](OC)CN1 56607 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.44 COC(=O)[C@H]1CC[C@@H](CBr)C1 D95216 [0,1,0,1,0,0|1,0,0]=3 131 B11R1.293 COC(=O)[C@@H](O)CC1CCC1 69649 [0,1,0,1,0,0|0,0,0]=2 132 B11R1.385 COC(=O)[C@@H](C)C(=O)C1CC1 D75150 [0,1,0,1,0,0|1,0,1]=4 133 B11R2.914 COC(=O)[C@@H]1C[C@@H]2O[C@@H]2C1 F16318 [0,0,0,2,0,0|2,0,0]=4 134 B11R2.1939 COC(=O)C1CC2(CO2)C1 P20640 [0,0,0,2,0,0|2,0,0]=4 135 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [1,0,0,0,1,0|1,0,0]=3