0 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CN1CCC[C@H](CCN)C1 P15064 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.10 CN1CCC[C@H](CCN)C1 P15065 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 NCC[C@H]1CNCCO1 AT15449 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 NCC[C@H]1COCCO1 AT10082 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 NCC[C@H]1COCCO1 AT10083 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 NCC[C@H]1COCCO1 AT10084 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.23 CCC(=O)[C@H]1CCCC(=O)C1 F53409 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.24 CNCCN1CCNC(=O)C1 AT12836 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 E72879 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.2 CNCCOCCC(=O)O C70436 [0,0,1,0,0,0|2,0,0]=3 18 B9R0.2 NCCSSCCC(=O)O C70411 [0,0,1,0,0,0|3,0,0]=4 19 B11R2.35 O=C1CCO[C@H](C2CC2)C1 92418 [0,0,0,1,0,0|2,0,0]=3 20 B11R2.36 O=C1CCC2CNCC2C1 D72834 [0,0,0,1,0,0|2,0,0]=3 21 B11R2.36 O=C1CN2CCC[C@H]2CN1 62946 [0,0,0,1,0,0|3,0,0]=4 22 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 E71066 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 W14425 [0,0,0,1,0,0|3,0,0]=4 24 B11R2.434 O=C1CC2CC(O)C(C1)N2 AT24538 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.678 NN1CC2CCCC(C2)C1 E73221 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.1478 O=C1CCCC2(COC2)C1 AT10528 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.1478 O=C1CNCC2(CCC2)N1 P17078 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,0,0,0,1,0|2,0,0]=3 29 B9R1.7 NCC[C@@H]1CNC(=O)C1 AT19064 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,0,0,0,1,0|2,0,0]=3 32 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,0,0,0,1,0|2,0,0]=3 33 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.7 O=C1C[C@H](CCO)CN1 AT19057 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,0,0,0,1,0|2,0,0]=3 37 B9R1.33 CN1CCC[C@@H]1CCN D96505 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.33 CN1CCC[C@@H]1CCN O10200 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.33 CNC[C@H]1CCCN1C D76214 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.33 O=C1NCCN1CCBr AC9134 [0,0,0,0,1,0|3,0,0]=4 42 B8R0.6 CCCCOC(=O)C=O 39366 [1,0,1,0,0,0|1,0,1]=4 43 B8R1.2 CC[C@H]1CCCCN1 I11451 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.2 OC[C@H]1CCC=CO1 AC9028 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [2,0,0,0,0,0|2,0,0]=4 46 B10R0.22 O=P(O)(O)CCCCCCBr C70022 [0,1,1,0,0,0|2,0,0]=4 47 B10R0.74 C#CCCCCCC(=O)OC AT21753 [0,1,1,0,0,0|0,0,2]=4 48 B10R0.74 COC(=O)COCCCCO AT19930 [0,1,1,0,0,0|2,0,0]=4 49 B10R0.75 CSCCCC[C@H](N)C(=O)O 70962 [0,1,1,0,0,0|1,0,0]=3 50 B10R0.75 NCCCCC[C@H](N)C(=O)O AT25880 [0,1,1,0,0,0|1,0,0]=3 51 B10R0.97 CC(C)=CCCCCC(=O)O AC8774 [0,1,1,0,0,0|0,0,2]=4 52 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.113 O=C1CCC[C@H](C(F)F)C1 C77401 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.17 NCCO[C@@H]1CCCCO1 D86038 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.18 CC(C)C[C@H]1CCCNC1 D72183 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.14 CCC(=O)[C@H]1CCC(=O)C1 F53408 [0,1,0,0,1,0|1,0,1]=4 57 B10R1.54 CC(C)C[C@H]1CCC(=O)C1 33492 [0,1,0,0,1,0|1,0,0]=3 58 B10R1.133 CNC[C@H]1CCCS1(=O)=O AT11760 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.133 NCC[C@H]1CCCS1(=O)=O E73283 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O AT24543 [0,0,1,1,0,0|1,0,0]=3 61 B10R1.61 C[C@H]1CC=CC[C@@H]1C(=O)O C90677 [0,0,1,1,0,0|0,0,2]=4 62 B10R1.61 C[C@H]1CCNC[C@@H]1C(=O)O AT24544 [0,0,1,1,0,0|1,0,0]=3 63 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O 77691 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19395 [0,0,1,1,0,0|2,0,0]=4 65 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19405 [0,0,1,1,0,0|2,0,0]=4 66 B10R1.127 O=C(O)CCOC1COC1 E73094 [0,0,1,1,0,0|2,0,0]=4 67 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98555 [0,0,1,1,0,0|1,0,0]=3 68 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98556 [0,0,1,1,0,0|1,0,0]=3 69 B10R1.348 O=C(O)[C@@H]1CNCCCO1 AT24150 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.348 O=C(O)[C@@H]1CNCCCO1 AT24151 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.348 O=C(O)[C@H]1CCCCNC1 F16355 [0,0,1,1,0,0|1,0,0]=3 72 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [0,0,1,1,0,0|1,0,0]=3 73 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [0,0,1,1,0,0|1,0,0]=3 74 B10R1.27 O=C(NO)OC1CCCC1 AT18212 [0,0,1,1,0,0|2,0,0]=4 75 B10R2.31 O=C1CNC2CCC2N1 AT24536 [1,0,0,1,0,0|2,0,0]=4 76 B10R2.62 O=C1CC2CCC1CN2 P19482 [1,0,0,1,0,0|2,0,0]=4 77 B10R2.62 O=C1CC2CCN1CC2 F52211 [1,0,0,1,0,0|2,0,0]=4 78 B10R2.71 O=C1CC2CCN(C1)C2 AT25954 [1,0,0,1,0,0|2,0,0]=4 79 B10R2.534 O=C1CCOC2(CC2)C1 AT24691 [1,0,0,1,0,0|2,0,0]=4 80 B10R2.7 C1CC2CCNCC2C1 D72855 [1,0,0,1,0,0|2,0,0]=4 81 B10R2.7 C1C[C@@H]2CCNC[C@@H]2C1 W14311 [1,0,0,1,0,0|2,0,0]=4 82 B10R2.484 C1CCC2(CCC2)NC1 37700 [1,0,0,1,0,0|1,0,1]=4 83 B10R2.2 O=C1CC2CCCC2C1 AT20192 [0,0,0,1,1,0|1,0,0]=3 84 B10R2.2 O=C1C[C@@H]2CCCN2C1 D74394 [0,0,0,1,1,0|2,0,0]=4 85 B10R2.2 O=C1C[C@@H]2CCC[C@@H]2C1 AT20194 [0,0,0,1,1,0|1,0,0]=3 86 B10R2.2 O=C1C[C@H]2CCO[C@H]2O1 D74252 [0,0,0,1,1,0|1,0,0]=3 87 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 D96566 [0,0,0,1,1,0|2,0,0]=4 88 B10R2.14 O=C1CC[C@@H](C2CC2)N1 AT19190 [0,0,0,1,1,0|1,0,0]=3 89 B10R2.32 O=C1CC[C@@H]2CCC[C@H]12 E73246 [0,0,0,1,1,0|1,0,0]=3 90 B10R2.32 O=C1NCC2CCCC12 AT20359 [0,0,0,1,1,0|2,0,0]=4 91 B10R2.332 O=C1CCC2(CNC2)N1 AT19168 [0,0,0,1,1,0|2,0,0]=4 92 B10R2.332 O=C1CCC2(CNC2)N1 F53716 [0,0,0,1,1,0|2,0,0]=4 93 B10R2.41 O=C1C2CCC1CNC2 38655 [0,0,0,1,1,0|1,0,0]=3 94 B10R2.41 O=C1C2CCCC1CC2 E73342 [0,0,0,1,1,0|0,0,0]=2 95 B10R2.41 O=C1C2CNCC1OC2 P13528 [0,0,0,1,1,0|2,0,0]=4 96 B10R2.41 O=C1[C@@H]2CC[C@H]1CSC2 E71101 [0,0,0,1,1,0|1,0,0]=3 97 B10R2.190 N[C@H]1CCCC12CCC2 W15795 [0,0,0,1,1,0|1,0,1]=4 98 B10R2.190 O=C1CCCC12CCC2 F52959 [0,0,0,1,1,0|0,0,0]=2 99 B10R2.190 O=C1NCCC12CNC2 P13117 [0,0,0,1,1,0|2,0,0]=4 100 B12R2.5478 O=C1CC2(CCC2)NCCN1 E73086 [0,0,0,1,0,1|2,0,0]=4 101 B12R2.455 O=C1CNC[C@H]2CCCN1C2 P12310 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.469 O=C1CCCN(C2CC2)CC1 AC4527 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.1081 O=C1CCCN2CCSC[C@@H]12 E73171 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.1081 O=C1CCNC2CCCCC12 AT25785 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.1081 O=C1COC[C@@H]2CNCCN12 P12831 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.1081 O=C1COC[C@@H]2CNCCN12 P13420 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.1081 O=C1COC[C@@H]2CNCCN12 P14194 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.1081 O=C1NCC[C@H]2CNCCN12 33733 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.1081 O=C1OCC[C@H]2CNCCN12 33778 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.2313 O=C1C[C@@H](C2CNC2)CCO1 CS2751 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.24 O=C1CCC2=C(CCCC2)O1 A11798 [0,1,0,1,0,0|0,0,2]=4 112 B12R2.24 O=C1CC[C@H]2CNCCN2C1 AT18736 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.5121 O=C1N[C@]2(CCNC2)CCO1 P13184 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.5121 O=C1N[C@]2(CCNC2)CCO1 P13630 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.5469 O=C1CCC[C@]2(C1)CC2(F)F AT23757 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.3934 CN1CCC(=O)CC12CCC2 F13851 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.4446 NC[C@H]1CCCC2(CCC2)O1 E73364 [0,1,0,1,0,0|1,0,1]=4 118 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,0,1,0,1,0|2,0,0]=4 119 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [1,0,0,0,1,0|1,0,0]=3 124 B8R1.11 CN[C@H]1CCNC1=O AT19094 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.11 O=C1CCCN1CO D86008 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.8 BrCC[C@H]1CCCN1 C77427 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.8 NCC[C@H]1CCCO1 AT11472 [1,0,0,0,1,0|1,0,0]=3 128 B8R1.6 CCOC1CC(=O)C1 D75215 [0,0,0,0,2,0|2,0,0]=4