0 B5R0.5 CC(N)C(C)O Y13729 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C[C@H](N)[C@H](C)O F16993 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C[C@H](C)N N11431 [1,0,0,0,0,0|2,0,0]=3 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|2,0,1]=4 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|1,0,1]=3 8 B6R0.3 CC(C)C(=O)CN AT23528 [0,1,0,0,0,0|1,0,0]=2 9 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,1,0,0,0,0|1,0,1]=3 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|2,0,0]=3 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]1O P18431 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.4 N[C@H]1CNC1=O P11921 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.9 CC1(C)C[C@@H]1Br P17575 [0,0,0,1,0,0|2,0,1]=4 22 B6R0.2 C[C@H](O)CN(C)C AT22519 [0,0,0,0,0,1|2,0,1]=4 23 B6R0.2 O=C(O)CC(F)F P18472 [0,0,0,0,0,1|2,0,0]=3 24 B5R0.1 C=CC[C@H](C)N D84793 [1,1,0,0,0,0|2,0,0]=4 25 B5R0.1 CN(C)NC=O 20013 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.3 C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|2,0,0]=4 27 B5R0.3 C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.4 CC(C)(F)CI AC1604 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.4 CC(C)(F)CN 85780 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.10 C=C(OC)C(=O)OC 78623 [0,2,0,0,0,0|0,0,2]=4 31 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [0,2,0,0,0,0|0,0,0]=2 32 B7R0.13 NCC(F)(F)C(=O)O AC6133 [0,2,0,0,0,0|1,0,0]=3 33 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [0,2,0,0,0,0|0,0,0]=2 34 B5R1.4 N[C@H]1C[C@@H]1O C93527 [1,0,0,1,0,0|1,0,1]=4 35 B5R1.5 NC1(O)CC1 92034 [1,0,0,1,0,0|1,0,1]=4 36 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,1|0,0,0]=2 37 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,1|0,0,0]=2 38 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,0,0,1,0,1|2,0,0]=4 39 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,0,0,1,0,1|2,0,0]=4 40 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,1,0,1|0,0,0]=2 41 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,1,0,1|0,0,0]=2 42 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,1,0,1|1,0,0]=3 43 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,1,0,1|1,0,0]=3 44 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,1,0,1|1,0,0]=3 45 B7R1.4 CN1CC=CC1=O N13365 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,1,0,0|1,0,1]=4 47 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,1,0,0|1,0,0]=3 48 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,1,0,0|1,0,1]=4 49 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,1,0,0|1,0,1]=4 50 B7R1.8 OCC1CCC1O P20965 [0,1,0,1,0,0|1,0,1]=4 51 B7R1.17 CC1(C)CC[C@@H]1O P17222 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.17 C[C@H]1CNS1(=O)=O AT12683 [0,1,0,1,0,0|1,0,1]=4 54 B7R1.18 C[C@H](O)C1CNC1 P15030 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.18 C[C@H](O)C1COC1 AT20599 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.18 C[C@H](O)C1COC1 AT20601 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,1,0,1,0,0|0,0,0]=2 58 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,1,0,1,0,0|0,0,0]=2 59 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [0,1,0,1,0,0|1,0,1]=4 60 B7R0.6 O=C(O)COC(F)F 89985 [0,0,0,0,0,2|2,0,0]=4