0 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 S11070 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [0,0,0,0,0,0|0,1,0]=1 6 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 CC1CCC(CO)C1 72724 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.1 FC[C@@H]1C[C@H](F)CN1 73101 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 OC[C@H]1C[C@H](F)CN1 73103 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.1 OC[C@H]1C[C@H](F)CN1 D79543 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.7 FC(F)[C@@H]1CCCN1 P13393 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 FC(F)[C@@H]1CCCN1 P14708 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.7 O=C(O)C1CSSC1 D82957 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.14 COC(=O)C1CCC(Br)C1 P10074 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 C77356 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 P18209 [0,1,0,0,0,0|0,1,0]=2 21 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 E70292 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13550 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F P21044 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.59 CN1C[C@H](F)C[C@H]1C(=O)O 93284 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 P15809 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 61319 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13554 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13555 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,0,1,0,0,0|2,0,0]=3 32 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19556 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.28 NC(=O)CNCC(=O)O A10558 [0,0,1,0,0,0|1,0,2]=4 38 B10R2.178 O=C1NCC2CCC1C2 C73267 [0,0,0,1,0,0|3,0,0]=4 39 B10R2.348 O=C(O)C12CC(CO1)C2 AT20089 [0,0,0,1,0,0|2,0,0]=3 40 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P15778 [0,0,0,1,0,0|1,0,0]=2 41 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 P15783 [0,0,0,1,0,0|1,0,0]=2 42 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P16397 [0,0,0,1,0,0|1,0,0]=2 43 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 P20232 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,0,0,0,1,0|1,0,0]=2 45 B8R1.23 CN(C)[C@H]1C[C@@H](O)C1 D79570 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.23 CN(C)[C@H]1C[C@H](O)C1 D84895 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,0,1,0|1,0,0]=2 48 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,0,1,0|1,0,0]=2 49 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,0,0,1,0|1,0,0]=2 50 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,0,0,1,0|1,0,0]=2 51 B8R1.23 OC1CC(C(F)F)C1 P18339 [0,0,0,0,1,0|2,0,1]=4 52 B8R1.31 CC1CCC1C(=O)O D96793 [0,0,0,0,1,0|2,0,0]=3 53 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,0,0,0,1,0|2,0,0]=3 54 B8R1.31 O=C(O)C1CCC1F P19066 [0,0,0,0,1,0|2,0,0]=3 55 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 CC1CCC(C(=O)O)CO1 W16296 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.13 NC(=O)[C@@H]1CC[C@@H](N)CO1 D97069 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 P19536 [0,0,0,0,0,1|1,0,0]=2 60 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [0,0,0,0,0,1|1,0,0]=2 61 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,0,0,0,0,1|1,0,0]=2 62 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,0,0,0,0,1|1,0,0]=2 63 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,0,0,0,0,1|1,0,0]=2 64 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,0,0,0,0,1|1,0,0]=2 65 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 C72340 [0,0,0,0,0,1|0,0,0]=1 66 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,0,0,0,0,1|1,0,0]=2 67 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [1,0,1,0,0,0|0,1,0]=3 68 B7R1.1 C#C[C@@H]1CCCN1 86321 [2,0,0,0,0,0|1,0,1]=4 69 B7R1.1 C#C[C@@H]1CCCN1 C90741 [2,0,0,0,0,0|1,0,1]=4 70 B7R1.1 CC[C@H]1CCCN1 Y11636 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [2,0,0,0,0,0|0,0,1]=3 72 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [2,0,0,0,0,0|1,0,1]=4 73 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [2,0,0,0,0,0|0,0,1]=3 74 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [2,0,0,0,0,0|0,0,1]=3 75 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [2,0,0,0,0,0|1,0,1]=4 76 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81510 [0,1,1,0,0,0|1,0,0]=3 81 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26519 [0,1,1,0,0,0|1,1,0]=4 82 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,1,1,0,0,0|1,0,0]=3 83 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,1,1,0,0,0|2,0,0]=4 84 B9R1.19 CC(C)(O)[C@@H]1CCCN1 C76614 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.41 C[C@H](O)[C@@H]1CCCN1C P20727 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,1,0,0,0,0|0,0,0]=2 87 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [1,1,0,0,0,0|0,0,0]=2 89 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [1,1,0,0,0,0|0,0,0]=2 92 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [1,1,0,0,0,0|0,0,0]=2 93 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [1,1,0,0,0,0|0,0,0]=2 94 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [1,1,0,0,0,0|0,0,0]=2 95 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [1,1,0,0,0,0|0,0,0]=2 96 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20957 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.163 N[C@@]1(C(=O)O)CCOC1 C12093 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.95 N#CC1CC(C(=O)O)C1 86884 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 D77011 [0,1,0,0,1,0|1,0,0]=3 100 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P14629 [0,1,0,0,1,0|1,0,0]=3 101 B9R1.152 NC1(C(=O)O)CC(O)C1 P17228 [0,1,0,0,1,0|0,0,0]=2 102 B9R1.152 NC1CC(F)(C(=O)O)C1 D79210 [0,1,0,0,1,0|1,0,0]=3 103 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P13808 [0,1,0,0,1,0|1,0,0]=3 104 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 P18177 [0,1,0,0,1,0|0,0,0]=2 105 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 38906 [0,1,0,0,1,0|0,0,0]=2 106 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 P18532 [0,1,0,0,1,0|0,0,1]=3 107 B9R1.164 O=C(O)C1CS(=O)(=O)C1 20475 [0,1,0,0,1,0|1,0,1]=4 108 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P15218 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,1,0,0,1,0|1,0,0]=3 111 B9R1.166 O=C(O)[C@H]1CCC1(F)F P10782 [0,1,0,0,1,0|2,0,0]=4 112 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 C13702 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P16384 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.220 C[C@]1(C(=O)O)CC[C@H](O)CC1 P19563 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60615 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)C1 P16256 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AC2343 [0,1,0,0,0,1|0,0,0]=2 118 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P19718 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.266 O=C(O)C1CCCC(CO)C1 P19364 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.44 C#CC1CCC(C(=O)OC)C1 58316 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.44 COC(=O)[C@H]1CC[C@@H](CO)C1 P16294 [0,2,0,0,0,0|1,0,0]=3 122 B11R1.885 COC(=O)[C@@]1(C)CC[C@H](N)C1 P20081 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.488 CN1CC(C)(C)C[C@H]1C(=O)O P15898 [0,2,0,0,0,0|1,0,0]=3 124 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,0,1,1,0,0|2,0,0]=4 125 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,0,1,1,0,0|1,0,0]=3 126 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,0,1,1,0,0|1,0,0]=3 127 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,0,1,1,0,0|2,0,0]=4 128 B9R1.119 COC1(C(=O)O)CCC1 D96819 [0,0,1,1,0,0|2,0,0]=4 129 B9R2.39 OC1CC2CNC1C2 P15968 [1,0,0,1,0,0|1,0,1]=4 130 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P15209 [1,0,0,1,0,0|1,0,1]=4 131 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 P15722 [1,0,0,1,0,0|1,0,1]=4 132 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P11774 [1,0,0,1,0,0|1,0,1]=4 133 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P13087 [1,0,0,1,0,0|1,0,1]=4 134 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P15747 [1,0,0,1,0,0|1,0,1]=4 135 B9R2.70 OC[C@@H]1NC[C@H]2C[C@H]21 P15792 [1,0,0,1,0,0|1,0,1]=4 136 B9R2.7 O=C1NC2CCCC12 D70003 [1,0,0,1,0,0|2,0,0]=4 137 B9R2.19 O=C1NCC2CC1C2 86845 [0,0,0,1,1,0|2,0,0]=4 138 B11R2.1839 O=C(O)C12CCC(CC1)C2 AT22106 [0,0,0,1,0,1|2,0,0]=4 139 B11R2.1839 O=C(O)C12CCC(CC1)O2 D96759 [0,0,0,1,0,1|1,0,0]=3 140 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18994 [0,0,0,1,0,1|2,0,0]=4 141 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18995 [0,0,0,1,0,1|2,0,0]=4 142 B11R2.845 O=C(O)C1CC2CNC1C2 P18969 [0,0,0,1,0,1|1,0,0]=3 143 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 AT24389 [0,0,0,1,0,1|2,0,0]=4 144 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P12563 [0,0,0,1,0,1|2,0,0]=4 145 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P19062 [0,0,0,1,0,1|2,0,0]=4 146 B11R2.1826 O=C(O)C12CC(CCN1)C2 P13673 [0,0,0,1,0,1|1,0,0]=3 147 B11R2.1826 O=C(O)C12CNCC(C1)C2 86847 [0,0,0,1,0,1|1,0,0]=3 148 B11R2.1837 O=C(O)C1NCCC2CC21 P18662 [0,0,0,1,0,1|1,0,0]=3 149 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2C[C@@H]12 P18668 [0,0,0,1,0,1|1,0,0]=3 150 B11R2.911 COC(=O)[C@H]1NC[C@@H]2C[C@H]12 P15066 [0,1,0,1,0,0|1,0,0]=3 151 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 P13394 [0,1,0,1,0,0|1,0,0]=3 152 B11R2.914 COC(=O)[C@H]1C[C@@H]2O[C@@H]2C1 33784 [0,1,0,1,0,0|1,0,0]=3 153 B11R2.822 O=C(O)[C@H]1NC[C@@H]2CC[C@H]12 P18292 [0,1,0,1,0,0|1,0,0]=3 154 B11R2.822 O=C(O)[C@H]1NC[C@H]2CC[C@H]21 P18187 [0,1,0,1,0,0|1,0,0]=3 155 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 P14934 [0,1,0,1,0,0|1,0,0]=3 156 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 P15848 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.8 OCC1CCC1O P20965 [1,0,0,0,1,0|1,0,1]=4 158 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [1,0,0,0,1,0|2,0,0]=4 159 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [1,0,0,0,1,0|2,0,0]=4 160 B7R1.10 N#C[C@H]1C[C@H](O)C1 P18493 [1,0,0,0,1,0|1,0,1]=4 161 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,0,1,0|1,0,0]=3 162 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,0,1,0|1,0,0]=3 163 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,0,2,0|1,0,0]=3 164 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,0,2,0|1,0,0]=3 165 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,0,2,0|1,0,0]=3 166 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,0,2,0|1,0,0]=3 167 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,0,2,0|1,0,0]=3 168 B11R1.20 C[C@H]1CC[C@H](CC(=O)O)CC1 50017 [0,0,0,0,0,2|2,0,0]=4