0 B6R0.3 C=C[C@H](N)C(=O)O F31036 [1,0,0,0,0,0|1,0,2]=4 1 B6R0.3 C[C@@H](CN)C(=O)O 31999 [1,0,0,0,0,0|1,0,0]=2 2 B6R0.3 N[C@H](CS)S(=O)O D72263 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.4 O=C(O)\C=C\CF AT12709 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 O=C(O)\C=C\CO AT11505 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,1,0,0,0,0|2,0,0]=3 6 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,1,0,0,0,0|0,0,2]=3 8 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19556 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.7 O=C(O)C1CSSC1 D82957 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.43 O=C(O)C1CC1CF P19356 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.78 O=C(O)C1(F)CCC1 85747 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.78 O=C(O)C1(F)CNC1 38639 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.78 O=C(O)C1(O)COC1 P17225 [0,0,0,1,0,0|2,0,0]=3 28 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,0,0,0,0,1|1,0,0]=2 29 B5R0.2 N#CCCC=O F20778 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.3 C=C[C@@H](N)CC 68012 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.11 CCC[C@](C)(N)CO D75112 [1,1,0,0,0,0|0,0,1]=3 32 B7R0.11 C[C@@](O)(CO)CCO A11223 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.13 NCC(F)(F)C(=O)O AC6133 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.4 CC(=O)OCCCO Y14698 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.6 O=C(O)COC(F)F 89985 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,1,0,0,0,1|1,0,0]=3 39 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,1,0,0,0,1|1,0,0]=3 40 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,1,0,0,0,1|1,0,0]=3 41 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,2,0,0,0,0|1,0,0]=3 42 B9R0.11 CN(C)CC(F)(F)C(=O)O F53141 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31361 [0,2,0,0,0,0|0,0,0]=2 44 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31362 [0,2,0,0,0,0|0,0,0]=2 45 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 32003 [0,2,0,0,0,0|0,0,0]=2 46 B9R0.39 CC(C)C[C@@H](CN)C(=O)O F15243 [0,2,0,0,0,0|0,0,0]=2 47 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81510 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26519 [0,2,0,0,0,0|1,1,0]=4 49 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.4 C[C@H]1CCNC1=O D72754 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.25 C[C@]1(CO)CCO1 CS1015 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|0,0,0]=2 56 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|0,0,0]=2 57 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 P12608 [0,0,0,1,0,1|2,0,0]=4 63 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,0,0,1,0,1|1,0,0]=3 64 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,0,0,1,0,1|1,0,0]=3 65 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,0,0,1,0,1|2,0,0]=4 66 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,0,0,1,0,1|1,0,0]=3 67 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,0,0,1,0,1|1,0,0]=3 68 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,0,0,1,0,1|2,0,0]=4 69 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,0,0,1,0,1|2,0,0]=4 70 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,0,0,1,0,1|2,0,0]=4 71 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,0,0,1,0,1|2,0,0]=4 72 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,0,0,1,0,1|2,0,0]=4 73 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [0,0,0,1,0,1|1,0,0]=3 74 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.3 C[C@@H]1NCCN(C)C1=O F53781 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.55 CN1C[C@@H](C(=O)O)C1=O P20405 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3555 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P14104 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19391 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.5 CC1CNCCCC1O 73109 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.69 C[C@@H]1OC(=O)COC1=O D75679 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,1,0,1,0,0|0,0,0]=2 94 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,1,0,1,0,0|0,0,0]=2 95 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 S11070 [0,1,0,1,0,0|0,0,2]=4 97 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,1,0,1,0,0|0,0,0]=2 98 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,1,0,1,0,0|0,0,0]=2 99 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,1,0,1,0,0|0,0,0]=2 100 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.40 CC1CNCCC1(C)O 73158 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.40 [BH3-]C1=CCCCC1(C)C AC8579 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.95 N#CC1CC(C(=O)O)C1 86884 [0,1,0,1,0,0|0,0,1]=3 105 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 D77011 [0,1,0,1,0,0|0,0,0]=2 106 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20957 [0,1,0,1,0,0|0,0,0]=2 109 B9R1.163 N[C@@]1(C(=O)O)CCOC1 C12093 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P14629 [0,1,0,1,0,0|0,0,0]=2 111 B9R1.152 NC1(C(=O)O)CC(O)C1 P17228 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.152 NC1CC(F)(C(=O)O)C1 D79210 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P13808 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 P18177 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.165 O=C(O)C(F)(F)C1CC1 F30353 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.119 COC1(C(=O)O)CCC1 D96819 [0,1,0,1,0,0|0,0,0]=2 117 B9R1.119 O=C(O)C1(CF)COC1 D79154 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.161 O=C(O)C1CC1C(F)F P19011 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F P19173 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F P20099 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 38906 [0,1,0,1,0,0|0,0,0]=2 122 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 P18532 [0,1,0,1,0,0|0,0,1]=3 123 B9R1.164 O=C(O)C1CS(=O)(=O)C1 20475 [0,1,0,1,0,0|2,0,0]=4 124 B9R2.19 O=C1NCC2CC1C2 86845 [0,0,0,2,0,0|1,0,0]=3 125 B9R2.53 O=C1C2CNCC1C2 86846 [0,0,0,2,0,0|2,0,0]=4 126 B9R2.7 O=C1NC2CCCC12 D70003 [0,0,0,2,0,0|1,0,0]=3 127 B9R2.36 OC1CCC1C2CC2 84015 [0,0,0,2,0,0|1,0,1]=4 128 B9R2.140 O=C1CCC12CNC2 D79142 [0,0,0,2,0,0|2,0,0]=4 129 B9R2.140 O=C1CCC12COC2 84056 [0,0,0,2,0,0|2,0,0]=4 130 B9R2.140 O=C1COC12CCC2 D96666 [0,0,0,2,0,0|2,0,0]=4