0 B4R0.1 C=C[C@H](C)N N11431 [0,0,0,0,0,0|2,0,1]=3 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|2,0,0]=2 3 B4R0.1 NC(=S)CF E70025 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.1 C=CC[C@H](C)N D84793 [0,1,0,0,0,0|2,0,0]=3 5 B5R0.1 C[C@H](N)CC#N 83614 [0,1,0,0,0,0|2,0,0]=3 6 B5R0.3 C#C[C@@H](N)CO F30988 [0,1,0,0,0,0|1,0,1]=3 7 B5R0.3 C=C[C@@H](N)CC 68012 [0,1,0,0,0,0|2,0,1]=4 8 B5R0.3 C=C[C@@H](N)CO Y14326 [0,1,0,0,0,0|1,0,1]=3 9 B5R0.3 NC(CF)CF 83730 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.4 CC(C)(F)CI AC1604 [0,1,0,0,0,0|2,0,0]=3 11 B5R0.4 CC(C)(F)CN 85780 [0,1,0,0,0,0|2,0,0]=3 12 B5R0.5 CC(N)C(C)O Y13729 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.5 C[C@H](N)[C@H](C)O F16993 [0,1,0,0,0,0|1,0,0]=2 14 B5R1.4 N[C@H]1C[C@@H]1F D78842 [0,0,0,1,0,0|2,0,0]=3 15 B5R1.4 N[C@H]1C[C@@H]1O C93527 [0,0,0,1,0,0|1,0,0]=2 16 B5R1.4 N[C@H]1C[C@H]1N P19582 [0,0,0,1,0,0|2,0,0]=3 17 B5R1.5 NC1(O)CC1 92034 [0,0,0,1,0,0|2,0,0]=3 18 B4R0.2 CNCCF AC6046 [1,1,0,0,0,0|1,0,0]=3 19 B6R0.1 CC[C@H](N)CC#N Y13628 [0,2,0,0,0,0|2,0,0]=4 20 B6R0.1 N#CC[C@H](N)CO Y14487 [0,2,0,0,0,0|1,0,0]=3 21 B6R0.2 C[C@H](O)CN(C)C AT22519 [0,2,0,0,0,0|1,0,0]=3 22 B6R0.2 O=C(O)CC(F)F P18472 [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|2,0,0]=4 24 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,2,0,0,0,0|1,0,0]=3 25 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,2,0,0,0,0|1,0,0]=3 26 B6R0.3 N[C@H](CS)S(=O)O D72263 [0,2,0,0,0,0|1,1,0]=4 27 B6R0.4 CC(C)NCC#N 78909 [0,2,0,0,0,0|2,0,0]=4 28 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,2,0,0,0,0|1,0,0]=3 29 B6R0.4 O=C(O)\C=C\CO AT11505 [0,2,0,0,0,0|1,0,1]=4 30 B6R0.5 CSCC(C)(C)N D76732 [0,2,0,0,0,0|1,1,0]=4 31 B6R0.5 C[N+](C)(C)CCO C16169 [0,2,0,0,0,0|2,0,0]=4 32 B6R0.8 CC(C)(C#N)CBr AC8195 [0,2,0,0,0,0|2,0,0]=4 33 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,1,0,1,0,0|2,0,0]=4 34 B6R1.5 CC1CC(O)C1 P19103 [0,1,0,1,0,0|1,0,0]=3 35 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [0,1,0,1,0,0|2,0,0]=4 36 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [0,1,0,1,0,0|2,0,0]=4 37 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [0,1,0,1,0,0|2,0,0]=4 38 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [0,1,0,1,0,0|2,0,0]=4 39 B6R1.5 O=C1CC(F)C1 P13807 [0,1,0,1,0,0|1,0,1]=4 40 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [0,1,0,1,0,0|0,0,0]=2 41 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [0,1,0,1,0,0|1,0,0]=3 42 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [0,1,0,1,0,0|1,0,0]=3 43 B6R1.8 CO[C@H]1C[C@H]1N P20154 [0,1,0,1,0,0|1,0,0]=3 44 B6R1.8 CO[C@H]1C[C@H]1N P20156 [0,1,0,1,0,0|1,0,0]=3 45 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,1,0,1,0,0|1,0,0]=3 46 B6R1.8 N#CC1CC1N P20045 [0,1,0,1,0,0|2,0,0]=4 47 B6R1.9 CC1(C)C[C@@H]1Br P17575 [0,1,0,1,0,0|2,0,0]=4 48 B6R1.9 N[C@H]1CC1(F)F AT11299 [0,1,0,1,0,0|2,0,0]=4 49 B6R1.9 N[C@H]1CC1(F)F P21069 [0,1,0,1,0,0|2,0,0]=4 50 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,1,0,1,0,0|2,0,0]=4 51 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,1,0,1,0,0|1,0,0]=3 52 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,1,0,1,0,0|1,0,0]=3 53 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,1,0,1,0,0|1,0,0]=3 54 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,1,0,1,0,0|1,0,0]=3 55 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,1,0,1,0,0|1,0,0]=3 56 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,1,0,1,0,0|1,0,0]=3 57 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,1,0,1,0,0|0,0,0]=2 58 B6R1.6 C#CC1CCC1 P19139 [0,1,0,1,0,0|2,0,0]=4 59 B6R1.6 C#CC1CNC1 P12508 [0,1,0,1,0,0|2,0,0]=4 60 B6R1.6 C#CC1COC1 94349 [0,1,0,1,0,0|1,0,0]=3 61 B6R1.6 NCC1CSC1 39006 [0,1,0,1,0,0|1,1,0]=4 62 B6R1.6 NC[C@H]1CCO1 P21081 [0,1,0,1,0,0|1,0,0]=3 63 B6R1.7 C=CC1(O)CC1 F53569 [0,1,0,1,0,0|1,0,1]=4 64 B6R1.7 CC1(CBr)CC1 D96531 [0,1,0,1,0,0|2,0,0]=4 65 B6R1.7 CC1(CN)N=N1 AT11950 [0,1,0,1,0,0|2,0,0]=4 66 B6R1.7 NCC1(F)CC1 P18486 [0,1,0,1,0,0|2,0,0]=4 67 B6R1.7 OCC1(Cl)CC1 96433 [0,1,0,1,0,0|1,0,0]=3