0 B4R0.1 C=C[C@H](C)N N11431 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 C[C@H](N)C#N 96735 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C[C@H](N)CF AC1331 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=CC[C@H](C)N D84793 [0,1,0,0,0,0|2,0,0]=3 4 B5R0.1 CN(C)NC=O 20013 [0,1,0,0,0,0|1,0,0]=2 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|2,0,1]=4 7 B5R0.3 C=C[C@@H](N)CC 68012 [0,1,0,0,0,0|2,0,0]=3 8 B5R0.3 C=C[C@@H](N)CO Y14326 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.3 NC(CF)CF 83730 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.4 CC(C)(F)CI AC1604 [0,1,0,0,0,0|1,0,1]=3 11 B5R0.4 CC(C)(F)CN 85780 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.5 CC(N)C(C)O Y13729 [0,1,0,0,0,0|1,0,2]=4 13 B5R0.5 C[C@H](N)[C@H](C)O F16993 [0,1,0,0,0,0|1,0,2]=4 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|1,0,2]=4 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 B6R0.2 O=C(O)CC(F)F P18472 [0,2,0,0,0,0|2,0,0]=4 19 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,2,0,0,0,0|1,0,1]=4 20 B6R0.3 CC(C)C(=O)CN AT23528 [0,2,0,0,0,0|0,0,0]=2 21 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,2,0,0,0,0|0,0,2]=4 22 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,2,0,0,0,0|0,0,0]=2 23 B6R0.3 N[C@H](CS)S(=O)O D72263 [0,2,0,0,0,0|2,0,0]=4 24 B6R0.3 O=C(CBr)C(F)F AT12824 [0,2,0,0,0,0|2,0,0]=4 25 B6R0.4 CC(C)NCC#N 78909 [0,2,0,0,0,0|1,0,1]=4 26 B6R0.5 CSCC(C)(C)N D76732 [0,2,0,0,0,0|0,1,1]=4 27 B6R0.8 CC(C)(C#N)CBr AC8195 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.9 C\C=C(\C=O)CC AC9866 [0,2,0,0,0,0|0,0,1]=3 29 B6R1.5 CC1CC(O)C1 P19103 [0,1,0,1,0,0|0,0,2]=4 30 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [0,1,0,1,0,0|1,0,1]=4 31 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [0,1,0,1,0,0|1,0,1]=4 32 B6R1.5 O=C1CC(F)C1 P13807 [0,1,0,1,0,0|1,0,0]=3 33 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [0,1,0,1,0,0|1,0,1]=4 34 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [0,1,0,1,0,0|1,0,1]=4 35 B6R1.8 CO[C@H]1C[C@H]1N P20154 [0,1,0,1,0,0|1,0,1]=4 36 B6R1.8 CO[C@H]1C[C@H]1N P20156 [0,1,0,1,0,0|1,0,1]=4 37 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,1,0,1,0,0|0,0,2]=4 38 B6R1.8 N#CC1CC1N P20045 [0,1,0,1,0,0|1,0,1]=4 39 B6R1.9 CC1(C)C[C@@H]1Br P17575 [0,1,0,1,0,0|1,0,1]=4 40 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,1,0,1,0,0|1,0,1]=4 41 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,1,0,1,0,0|0,0,2]=4 42 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,1,0,1,0,0|0,0,2]=4 43 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,1,0,1,0,0|0,0,2]=4 44 B6R1.4 N[C@H]1CNC1=O P11921 [0,1,0,1,0,0|1,0,0]=3 45 B6R1.6 C#CC1CCC1 P19139 [0,1,0,1,0,0|1,0,1]=4 46 B6R1.6 C#CC1CNC1 P12508 [0,1,0,1,0,0|1,0,1]=4 47 B6R1.6 C#CC1COC1 94349 [0,1,0,1,0,0|1,0,1]=4 48 B6R1.6 N#CC1CCN1 AT24531 [0,1,0,1,0,0|1,0,1]=4 49 B6R1.6 NCC1CSC1 39006 [0,1,0,1,0,0|0,1,1]=4 50 B6R1.6 NC[C@H]1CCO1 P21081 [0,1,0,1,0,0|1,0,1]=4 51 B6R1.7 C=CC1(O)CC1 F53569 [0,1,0,1,0,0|1,0,0]=3 52 B6R1.7 CC1(CBr)CC1 D96531 [0,1,0,1,0,0|1,0,1]=4 53 B6R1.7 CC1(CN)N=N1 AT11950 [0,1,0,1,0,0|2,0,0]=4 54 B6R1.7 NCC1(F)CC1 P18486 [0,1,0,1,0,0|1,0,1]=4 55 B6R1.7 OCC1(Cl)CC1 96433 [0,1,0,1,0,0|0,0,2]=4