0 B5R0.5 CC(N)C(C)O Y13729 [0,0,0,0,0,0|1,1,0]=2 1 B5R0.5 C[C@H](N)[C@H](C)O F16993 [0,0,0,0,0,0|1,1,0]=2 2 B4R0.1 C=C[C@H](C)N N11431 [1,0,0,0,0,0|1,0,2]=4 3 B4R0.1 C[C@H](N)C#N 96735 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 C[C@H](N)CF AC1331 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.3 CC(C)C(=O)CN AT23528 [0,1,0,0,0,0|0,1,1]=3 6 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,1,0,0,0,0|1,0,0]=2 7 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,1,0,0,0,0|1,1,1]=4 8 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,0,0,1,0,0|2,0,0]=3 9 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,0,0,1,0,0|1,1,0]=3 10 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,0,0,1,0,0|1,1,0]=3 11 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,0,0,1,0,0|1,1,0]=3 12 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,0,0,1,0,0|1,1,0]=3 13 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,0,0,1,0,0|1,1,0]=3 14 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,0,0,1,0,0|1,1,0]=3 15 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,0,0,1,0,0|1,1,0]=3 16 B6R1.9 CC1(C)C[C@@H]1Br P17575 [0,0,0,1,0,0|1,0,0]=2 17 B6R1.9 N[C@H]1CC1(F)F AT11299 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.9 N[C@H]1CC1(F)F P21069 [0,0,0,1,0,0|3,0,0]=4 19 B6R0.2 C[C@H](O)CN(C)C AT22519 [0,0,0,0,0,1|1,1,0]=3 20 B5R0.1 C=CC[C@H](C)N D84793 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.1 C[C@H](N)CC#N 83614 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.3 C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.3 NC(CF)CF 83730 [1,1,0,0,0,0|2,0,0]=4 24 B5R0.4 CC(C)(F)CI AC1604 [1,1,0,0,0,0|1,0,0]=3 25 B5R0.4 CC(C)(F)CN 85780 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.5 CC(C)[C@@H](N)CC#N Y14204 [0,2,0,0,0,0|1,0,0]=3 27 B7R0.14 CC(C)(O)[C@@H](F)CN 89813 [0,2,0,0,0,0|1,0,0]=3 28 B5R1.4 N[C@H]1C[C@@H]1F D78842 [1,0,0,1,0,0|2,0,0]=4 29 B5R1.4 N[C@H]1C[C@@H]1O C93527 [1,0,0,1,0,0|1,1,0]=4 30 B5R1.4 N[C@H]1C[C@H]1N P19582 [1,0,0,1,0,0|2,0,0]=4 31 B5R1.5 NC1(O)CC1 92034 [1,0,0,1,0,0|1,1,0]=4 32 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,1,0,1|1,1,0]=4 33 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,0,0,1,0,1|1,0,0]=3 34 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,0,0,1,0,1|1,0,0]=3 35 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,0,0,1,0,1|2,0,0]=4 36 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,1,0,1|1,1,0]=4 37 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,1,0,1|1,1,0]=4 38 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,0,0,1,0,1|2,0,0]=4 39 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,0,0,1,0,1|2,0,0]=4 40 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,0,0,1,0,1|2,0,0]=4 41 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,0,0,1,0,1|2,0,0]=4 42 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,0,0,1,0,1|1,1,0]=4 43 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,0,0,1,0,1|1,1,0]=4 44 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,0,0,1,0,1|1,1,0]=4 45 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,0,0,1,0,1|1,1,0]=4 46 B7R1.16 CC1(O)CC(N)C1 P19045 [0,0,0,1,0,1|1,1,0]=4 47 B7R1.16 CN1CC(C)(N)C1 D96804 [0,0,0,1,0,1|2,0,0]=4 48 B7R1.16 C[C@]1(F)C[C@@H](N)C1 91899 [0,0,0,1,0,1|2,0,0]=4 49 B7R1.16 C[C@]1(F)C[C@H](N)C1 91900 [0,0,0,1,0,1|2,0,0]=4 50 B7R1.16 C[C@]1(N)C[C@@H](N)C1 D79664 [0,0,0,1,0,1|2,0,0]=4 51 B7R1.16 C[C@]1(O)C[C@@H](N)C1 P13179 [0,0,0,1,0,1|1,1,0]=4 52 B7R1.16 C[C@]1(O)C[C@H](N)C1 38619 [0,0,0,1,0,1|1,1,0]=4 53 B7R1.4 BrC1CCCC1Br D96921 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,1,0,0|0,1,0]=3 55 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,1,0,0|0,1,1]=4 57 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,1,0,0|0,1,0]=3 58 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,1,0,0|0,1,0]=3 59 B7R1.4 F[C@H]1CNC[C@@H]1F 57973 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.4 F[C@H]1CNC[C@@H]1F 72989 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.4 F[C@H]1CNC[C@@H]1F P19008 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,1,0,1,0,0|1,1,0]=4 64 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,1,0,1,0,0|1,1,0]=4 66 B7R1.8 CN1CC[C@@H]1CN P13166 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.8 NCC1CCC1F P18462 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.8 OCC1CCC1F P19725 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.8 OCC1CCC1O P20965 [0,1,0,1,0,0|0,1,0]=3 71 B7R1.17 CC1(C)CC[C@@H]1O P17222 [0,1,0,1,0,0|0,1,0]=3 72 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.18 C[C@H](N)C1CCC1 P15298 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.18 C[C@H](N)C1COC1 79835 [0,1,0,1,0,0|1,0,0]=3 75 B7R1.18 C[C@H](N)C1COC1 79836 [0,1,0,1,0,0|1,0,0]=3 76 B7R1.18 C[C@H](N)C1COC1 83718 [0,1,0,1,0,0|1,0,0]=3 77 B7R1.18 C[C@H](O)C1CNC1 P15030 [0,1,0,1,0,0|0,1,0]=3 78 B7R1.18 C[C@H](O)C1COC1 AT20599 [0,1,0,1,0,0|0,1,0]=3 79 B7R1.18 C[C@H](O)C1COC1 AT20601 [0,1,0,1,0,0|0,1,0]=3 80 B7R1.22 NC[C@H](N)C1CC1 Y14018 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.23 OC[C@H]1CC1(F)F D97114 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.23 OC[C@H]1CC1(F)F P18897 [0,1,0,1,0,0|2,0,0]=4