0 B7R0.7 CCC[C@H](O)COC D77523 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCC[C@H](N)CF AC5307 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.1 CCC[C@H](N)CF AC7092 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.1 CC[C@H](N)CCO AT14304 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.1 CC[C@H](N)CCO AT22343 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CC[C@H](N)CCO AT22346 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.5 C[C@@H](CCN)OC(F)F AT14897 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.4 C[C@H]1CNC[C@H](C)N1 C15745 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.4 C[C@H]1CNC[C@H](C)N1 P10621 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.6 CCOC1CC(=O)C1 D75215 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.6 CCO[C@H]1C[C@H](N)C1 P13634 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.8 BrCC[C@H]1CCCN1 C77427 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.8 NCC[C@H]1CCCO1 AT11472 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,0,0,1,0,0|1,1,1]=4 22 B8R1.22 C[C@H]1CCNCCN1 91998 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.22 C[C@H]1CCNCCN1 91999 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.22 C[C@H]1CCOCCN1 33399 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.22 C[C@H]1CNCCCN1 D76103 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.80 CCO[C@@]1(C)C[C@H]1N AT11450 [0,0,0,1,0,0|2,0,0]=3 30 B5R0.1 CNC[C@H](C)O C77457 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 C[C@H](O)CCN D77178 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.2 CCOCC=O AT18655 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.3 CC[C@H](F)CN D76437 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CC[C@H](N)CF AC5314 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.3 CC[C@H](O)CN D72871 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 C[C@@H](CN)CO 70250 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.2 C[C@@H](CN)OC(F)F AT14877 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.3 C[C@H](CN)CCCO AC9867 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.11 CCCC(C)(C)CO A10859 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.17 C#CCC(OCC)OCC AT23233 [0,2,0,0,0,0|0,0,0]=2 42 B7R1.1 C#C[C@@H]1CCCO1 AT10094 [1,0,0,1,0,0|0,0,2]=4 43 B7R1.1 C#C[C@@H]1CCCO1 AT10095 [1,0,0,1,0,0|0,0,2]=4 44 B7R1.1 C#C[C@@H]1CCCO1 AT10096 [1,0,0,1,0,0|0,0,2]=4 45 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,0]=3 46 B7R1.1 FC[C@H]1CCCN1 P12557 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.1 O=C[C@@H]1CCCO1 98506 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.1 O=C[C@@H]1CCCO1 98507 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 C[C@H]1CNCCS1 AT10752 [1,0,0,1,0,0|1,1,0]=4 53 B7R1.3 C[C@H]1CSCCN1 AT10757 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 N[C@@H]1CCCCN1 F13375 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.4 CC1NCCC1O 94946 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.4 CC1NCCC1O AT22499 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.10 CC1CC(CBr)C1 57439 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.10 CC1CC(CO)C1 57437 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.25 CC1(CN)CCC1 P11843 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.25 C[C@]1(CO)CCN1 P12582 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.27 CC[C@]1(C)ON1C C11698 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.2 CC1CNCC(CO)O1 AT18644 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18648 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.2 C[C@H]1CNC[C@H](CO)O1 AT18646 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.2 C[C@H]1CNC[C@H](CO)O1 AT18647 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.8 NCC[C@H]1CNCCO1 AT15449 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.8 NCC[C@H]1COCCO1 AT10082 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.8 NCC[C@H]1COCCO1 AT10083 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.8 NCC[C@H]1COCCO1 AT10084 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.12 COCC[C@H]1CCCN1 37988 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.48 C[C@H]1CNCC[C@@H](C)O1 E72987 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.34 CC1CC(N)CC(C)N1 D86047 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.34 CC1CC(N)CC(C)S1 89935 [0,1,0,1,0,0|1,1,0]=4 81 B9R1.34 CC1CC(N)CC(C)S1 C93279 [0,1,0,1,0,0|1,1,0]=4 82 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.53 CC(C)O[C@H]1C[C@@H](O)C1 AT25816 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.66 CC1CC(C)(O)CCN1 C77403 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.66 C[C@H]1CCCC(C)(C)N1 E73399 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.89 OC[C@H]1CCNCCO1 AT16149 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.36 C[C@@H]1OS(=O)(=O)O[C@H]1C AT25647 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.36 C[C@@H]1OS(=O)(=O)O[C@H]1C AT25648 [0,1,0,1,0,0|2,0,0]=4 89 B9R2.13 CC12CNCC1(C)O2 AT22664 [0,0,0,2,0,0|2,0,0]=4 90 B9R2.3 C1C[C@@H]2OCC[C@@H]2N1 W14310 [0,0,0,2,0,0|2,0,0]=4 91 B9R2.3 C1C[C@H]2CCN[C@H]2C1 E73393 [0,0,0,2,0,0|2,0,0]=4 92 B9R2.173 C1CNC2(C1)CCC2 E73324 [0,0,0,2,0,0|2,0,0]=4 93 B9R2.173 C1CNC2(C1)CCC2 P11719 [0,0,0,2,0,0|2,0,0]=4