0 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,0,0,0|2,0,0]=3 2 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,0,1,0,0,0|1,0,0]=2 10 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.7 NCCOCCC(=O)O C72750 [0,0,1,0,0,0|2,0,0]=3 12 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 P21060 [0,0,0,1,0,0|2,0,0]=3 13 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 P19920 [0,0,0,1,0,0|2,0,0]=3 14 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 H11466 [0,0,0,1,0,0|3,0,0]=4 15 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P14928 [0,0,0,1,0,0|3,0,0]=4 16 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P20361 [0,0,0,1,0,0|3,0,0]=4 17 B10R2.71 NC1CC2CCC(C1)O2 P13959 [0,0,0,1,0,0|2,0,1]=4 18 B10R2.71 NC1CC2CCC(C1)O2 P14620 [0,0,0,1,0,0|2,0,1]=4 19 B10R2.71 NC1C[C@@H]2CC[C@H](C1)O2 D78830 [0,0,0,1,0,0|2,0,1]=4 20 B10R2.71 OC1CC2CCC(C1)O2 P10814 [0,0,0,1,0,0|2,0,1]=4 21 B10R2.332 C=C1CNC2(CCC2)C1 50319 [0,0,0,1,0,0|3,0,0]=4 22 B10R2.332 O=C1CCC2(CCC2)N1 91437 [0,0,0,1,0,0|1,0,0]=2 23 B10R2.332 O=C1CCC2(CNC2)N1 P14552 [0,0,0,1,0,0|2,0,0]=3 24 B10R2.332 O=C1CCC2(COC2)C1 AT10514 [0,0,0,1,0,0|2,0,0]=3 25 B10R2.332 O=C1COC2(CNC2)C1 D96719 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [0,0,0,0,1,0|2,0,1]=4 27 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [0,0,0,0,1,0|2,0,1]=4 28 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [0,0,0,0,1,0|2,0,1]=4 29 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.3 CNC(=O)CCCO F10217 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.4 CC(=O)OCCCO Y14698 [1,0,1,0,0,0|1,0,0]=3 32 B7R1.1 CC[C@H]1CCCN1 Y11636 [2,0,0,0,0,0|1,0,1]=4 33 B7R1.1 CC[C@H]1CCNC1 P14868 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.1 OC[C@@H]1C=CCC1 74782 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.2 C[C@@H]1COC(=O)C1 64712 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.2 C[C@@H]1COC(=O)C1 69011 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.2 NC(=O)CCCCCCO AC4329 [0,1,1,0,0,0|1,0,0]=3 39 B9R1.35 O=C1CC[C@H](C(F)F)C1 W19610 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.24 CCCCC1=CC(=O)CCC1 D94147 [0,1,0,0,0,1|1,0,1]=4 43 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,0,1,1,0,0|2,0,0]=4 44 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,0,1,1,0,0|2,0,0]=4 45 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,0,1,1,0,0|2,0,0]=4 46 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 P12608 [0,0,1,1,0,0|2,0,0]=4 47 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,0,1,1,0,0|2,0,0]=4 48 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,0,1,1,0,0|2,0,0]=4 49 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,0,1,1,0,0|1,0,0]=3 50 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,0,1,1,0,0|1,0,0]=3 51 B9R2.139 O=C1CC2(CC2)CN1 87107 [1,0,0,1,0,0|2,0,0]=4 52 B9R2.139 O=C1CCC2(CC2)C1 P20949 [1,0,0,1,0,0|1,0,0]=3 53 B9R2.139 O=C1NC2(CC2)CO1 F30496 [1,0,0,1,0,0|2,0,0]=4 54 B9R2.2 C1CN[C@H](C2CC2)C1 Y14781 [1,0,0,1,0,0|1,0,1]=4 55 B9R2.2 C1CN[C@H](C2CC2)C1 Y14782 [1,0,0,1,0,0|1,0,1]=4 56 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 D79340 [1,0,0,1,0,0|1,0,1]=4 57 B9R2.173 C1COC2(C1)CNC2 38554 [1,0,0,1,0,0|1,0,1]=4 58 B9R2.173 C1COC2(C1)CNC2 A11655 [1,0,0,1,0,0|1,0,1]=4 59 B9R2.138 O=C1CC2(CSC2)C1 38218 [0,0,0,1,1,0|2,0,0]=4 60 B9R2.36 OC1CCC1C2CC2 84015 [0,0,0,1,1,0|0,0,2]=4 61 B9R2.53 O=C1C2CNCC1C2 86846 [0,0,0,1,1,0|1,0,0]=3 62 B9R2.140 O=C1CCC12CNC2 D79142 [0,0,0,1,1,0|1,0,0]=3 63 B9R2.140 O=C1CCC12COC2 84056 [0,0,0,1,1,0|1,0,0]=3 64 B9R2.140 O=C1COC12CCC2 D96666 [0,0,0,1,1,0|1,0,0]=3 65 B11R2.742 O=C1CCC2(CC1)CSC2 D73453 [0,0,0,1,0,1|2,0,0]=4 66 B11R2.1478 O=C1CCCC2(CCC2)C1 W18293 [0,0,0,1,0,1|1,0,0]=3 67 B11R2.1478 O=C1CCNC2(CCC2)C1 F31207 [0,0,0,1,0,1|1,0,0]=3 68 B11R2.1478 O=C1CNCC2(CCC2)N1 P13827 [0,0,0,1,0,1|1,0,0]=3 69 B11R2.1478 O=C1COCC2(CCC2)N1 W15706 [0,0,0,1,0,1|1,0,0]=3 70 B11R2.1 O=C1CC[C@H]2CNCCN12 37768 [0,1,0,1,0,0|1,0,0]=3 71 B11R2.1 O=C1CC[C@H]2CNCCN12 P11138 [0,1,0,1,0,0|1,0,0]=3 72 B11R2.10 O=C1NC2CCNCC2O1 P14510 [0,1,0,1,0,0|1,0,0]=3 73 B11R2.16 NCC1CC2CCC(C1)O2 P12539 [0,1,0,1,0,0|1,0,1]=4 74 B11R2.16 OCC1CC2CCC(C1)O2 P19924 [0,1,0,1,0,0|1,0,1]=4 75 B11R2.748 O=C1CCC2(C1)OCCO2 97648 [0,1,0,1,0,0|2,0,0]=4 76 B11R2.748 O=C1CC[C@@]2(CCNC2)N1 38006 [0,1,0,1,0,0|1,0,0]=3 77 B11R2.698 CN1CC2(CNC2)OC1=O D96805 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.10 O=C1C[C@H](CI)N1 W18669 [1,0,0,0,1,0|2,0,0]=4 79 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [1,0,0,0,1,0|2,0,0]=4 80 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [1,0,0,0,1,0|2,0,0]=4 81 B7R1.6 BrCC[C@H]1CCO1 D79156 [1,0,0,0,1,0|1,0,0]=3 82 B7R1.6 ICC[C@H]1CCO1 D79155 [1,0,0,0,1,0|1,0,0]=3 83 B7R1.6 NCC[C@H]1CCO1 D79157 [1,0,0,0,1,0|1,0,0]=3 84 B7R1.6 NCC[C@H]1CCO1 P17247 [1,0,0,0,1,0|1,0,0]=3 85 B7R1.6 OCC[C@H]1CCO1 D84844 [1,0,0,0,1,0|1,0,0]=3 86 B7R1.6 OCC[C@H]1CCO1 P19429 [1,0,0,0,1,0|1,0,0]=3