0 B4R0.1 C=C[C@H](C)N N11431 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C[C@H](N)C#N 96735 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C[C@H](N)CF AC1331 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 NC(=S)CF E70025 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.1 C=CC[C@H](C)N D84793 [0,1,0,0,0,0|2,0,1]=4 5 B5R0.1 C[C@H](N)CC#N 83614 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.3 C#C[C@@H](N)CO F30988 [0,1,0,0,0,0|1,0,2]=4 7 B5R0.3 C=C[C@@H](N)CO Y14326 [0,1,0,0,0,0|1,0,2]=4 8 B5R0.3 NC(CF)CF 83730 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.4 CC(C)(F)CI AC1604 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.4 CC(C)(F)CN 85780 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.4 O=S(=O)(Cl)CBr AT12635 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.5 CC(N)C(C)O Y13729 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.5 C[C@H](N)[C@H](C)O F16993 [0,1,0,0,0,0|1,0,1]=3 14 B5R1.4 N[C@H]1C[C@@H]1F D78842 [0,0,0,1,0,0|2,0,1]=4 15 B5R1.4 N[C@H]1C[C@@H]1O C93527 [0,0,0,1,0,0|1,0,1]=3 16 B5R1.4 N[C@H]1C[C@H]1N P19582 [0,0,0,1,0,0|2,0,1]=4 17 B4R0.2 CNCCF AC6046 [1,1,0,0,0,0|1,0,1]=4 18 B6R0.1 N#CC[C@H](N)CO Y14487 [0,2,0,0,0,0|1,0,1]=4 19 B6R0.2 C[C@H](O)CN(C)C AT22519 [0,2,0,0,0,0|2,0,0]=4 20 B6R0.2 O=C(O)CC(F)F P18472 [0,2,0,0,0,0|2,0,0]=4 21 B6R0.3 C=CC(=O)C(=O)O AC9460 [0,2,0,0,0,0|0,0,2]=4 22 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,2,0,0,0,0|2,0,0]=4 23 B6R0.3 CC(C)C(=O)CN AT23528 [0,2,0,0,0,0|1,0,0]=3 24 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,2,0,0,0,0|1,0,1]=4 25 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,2,0,0,0,0|1,0,1]=4 26 B6R0.3 O=C(CBr)C(F)F AT12824 [0,2,0,0,0,0|1,0,0]=3 27 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.4 O=C(O)\C=C\CF AT12709 [0,2,0,0,0,0|2,0,0]=4 29 B6R0.4 O=C(O)\C=C\CO AT11505 [0,2,0,0,0,0|1,0,0]=3 30 B6R0.5 C[N+](C)(C)CCO C16169 [0,2,0,0,0,0|2,0,0]=4 31 B6R0.9 C\C=C(\C=O)CC AC9866 [0,2,0,0,0,0|1,0,0]=3 32 B6R1.5 CC1CC(O)C1 P19103 [0,1,0,1,0,0|1,0,1]=4 33 B6R1.5 O=C1CC(F)C1 P13807 [0,1,0,1,0,0|1,0,0]=3 34 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [0,1,0,1,0,0|0,0,2]=4 35 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [0,1,0,1,0,0|1,0,1]=4 36 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [0,1,0,1,0,0|1,0,1]=4 37 B6R1.8 CO[C@H]1C[C@H]1N P20154 [0,1,0,1,0,0|1,0,1]=4 38 B6R1.8 CO[C@H]1C[C@H]1N P20156 [0,1,0,1,0,0|1,0,1]=4 39 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,1,0,1,0,0|1,0,1]=4 40 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,1,0,1,0,0|1,0,1]=4 41 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,1,0,1,0,0|1,0,1]=4 42 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,1,0,1,0,0|1,0,1]=4 43 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,1,0,1,0,0|1,0,1]=4 44 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,1,0,1,0,0|1,0,1]=4 45 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,1,0,1,0,0|1,0,1]=4 46 B6R1.4 N[C@H]1CNC1=O P11921 [0,1,0,1,0,0|1,0,0]=3 47 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,1,0,1,0,0|0,0,2]=4 48 B6R1.6 C#CC1COC1 94349 [0,1,0,1,0,0|1,0,1]=4 49 B6R1.7 OCC1(Cl)CC1 96433 [0,1,0,1,0,0|1,0,1]=4