0 B5R0.5 CC(N)C(C)O Y13729 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 C[C@H](N)[C@H](C)O F16993 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=C[C@H](C)N N11431 [1,0,0,0,0,0|1,0,0]=2 3 B4R0.1 C[C@H](N)C#N 96735 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 C[C@H](N)CF AC1331 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 NC(=S)CF E70025 [1,0,0,0,0,0|2,1,0]=4 6 B6R0.3 C=CC(=O)C(=O)O AC9460 [0,1,0,0,0,0|1,0,2]=4 7 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,1,0,0,0,0|0,0,1]=2 8 B6R0.3 CC(C)C(=O)CN AT23528 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,1,0,0,0,0|0,0,0]=1 11 B6R0.3 N[C@H](CS)S(=O)O D72263 [0,1,0,0,0,0|1,0,0]=2 12 B6R0.3 O=C(CBr)C(F)F AT12824 [0,1,0,0,0,0|3,0,0]=4 13 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,0,0,1,0,0|1,0,1]=3 15 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,0,0,1,0,0|1,0,1]=3 16 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,0,0,1,0,0|1,0,1]=3 17 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,0,0,1,0,0|1,0,1]=3 18 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,0,0,1,0,0|1,0,1]=3 19 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,0,0,1,0,0|1,0,1]=3 20 B6R1.4 N[C@H]1CNC1=O P11921 [0,0,0,1,0,0|1,0,0]=2 21 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.9 N[C@H]1CC1(F)F AT11299 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.9 N[C@H]1CC1(F)F P21069 [0,0,0,1,0,0|2,0,1]=4 24 B6R0.2 O=C(O)CC(F)F P18472 [0,0,0,0,0,1|2,0,0]=3 25 B5R0.1 C=CC[C@H](C)N D84793 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.1 CN(C)NC=O 20013 [1,1,0,0,0,0|2,0,0]=4 27 B5R0.1 C[C@H](N)CC#N 83614 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.3 C#C[C@@H](N)CO F30988 [1,1,0,0,0,0|0,0,2]=4 29 B5R0.3 C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|1,0,0]=3 30 B5R0.3 C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|1,0,0]=3 31 B5R0.3 NC(CF)CF 83730 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.10 C=C(OC)C(=O)OC 78623 [0,2,0,0,0,0|1,0,1]=4 33 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [0,2,0,0,0,0|0,0,0]=2 34 B7R0.13 NCC(F)(F)C(=O)O AC6133 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [0,2,0,0,0,0|0,0,0]=2 36 B5R1.4 N[C@H]1C[C@@H]1F D78842 [1,0,0,1,0,0|1,0,1]=4 37 B5R1.4 N[C@H]1C[C@@H]1O C93527 [1,0,0,1,0,0|0,0,1]=3 38 B5R1.4 N[C@H]1C[C@H]1N P19582 [1,0,0,1,0,0|1,0,1]=4 39 B5R1.5 NC1(O)CC1 92034 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,1|1,0,0]=3 41 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,1|1,0,0]=3 42 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,1,0,1|1,0,1]=4 43 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,1,0,1|1,0,1]=4 44 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,1,0,1|1,0,1]=4 45 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,0,0,1,0,1|1,0,0]=3 46 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,0,0,1,0,1|1,0,0]=3 47 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,0,0,1,0,1|1,0,1]=4 48 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,0,0,1,0,1|1,0,1]=4 49 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,0,0,1,0,1|1,0,1]=4 50 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,1,0,1|1,0,0]=3 51 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,1,0,1|1,0,0]=3 52 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,1,0,1|1,0,0]=3 53 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,1,0,1|1,0,0]=3 54 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,1,0,1|1,0,0]=3 55 B7R1.16 CC1(O)CC(N)C1 P19045 [0,0,0,1,0,1|1,0,1]=4 56 B7R1.16 C[C@]1(O)C[C@@H](N)C1 P13179 [0,0,0,1,0,1|1,0,1]=4 57 B7R1.16 C[C@]1(O)C[C@H](N)C1 38619 [0,0,0,1,0,1|1,0,1]=4 58 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,1,0,1,0,0|0,0,2]=4 65 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.17 C[C@H]1CNS1(=O)=O AT12683 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.18 C[C@H](N)C1COC1 79835 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.18 C[C@H](N)C1COC1 79836 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.18 C[C@H](N)C1COC1 83718 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.18 C[C@H](O)C1CNC1 P15030 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,1,0,1,0,0|1,0,0]=3 74 B7R0.6 O=C(O)COC(F)F 89985 [0,0,0,0,0,2|2,0,0]=4