0 B4R0.2 CNCCF AC6046 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 C=CC[C@H](C)N D84793 [0,1,0,0,0,0|2,0,1]=4 2 B5R0.1 C[C@H](N)CC#N 83614 [0,1,0,0,0,0|2,0,1]=4 3 B5R0.2 CSCCCCl Y14621 [0,1,0,0,0,0|1,0,0]=2 4 B5R0.2 N#CCCC=O F20778 [0,1,0,0,0,0|2,0,1]=4 5 B5R0.2 NC\C=C/CN C13830 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.2 NOCCON D72368 [0,1,0,0,0,0|1,1,0]=3 7 B5R0.3 C#C[C@@H](N)CO F30988 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.3 C=C[C@@H](N)CC 68012 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.3 C=C[C@@H](N)CO Y14326 [0,1,0,0,0,0|1,0,1]=3 10 B5R0.3 NC(CF)CF 83730 [0,1,0,0,0,0|3,0,0]=4 11 B5R1.4 N[C@H]1C[C@@H]1F D78842 [0,0,0,1,0,0|3,0,0]=4 12 B5R1.4 N[C@H]1C[C@@H]1O C93527 [0,0,0,1,0,0|2,0,0]=3 13 B5R1.4 N[C@H]1C[C@H]1N P19582 [0,0,0,1,0,0|3,0,0]=4 14 B4R0.1 C=C[C@H](C)N N11431 [1,1,0,0,0,0|1,0,1]=4 15 B4R0.1 C[C@H](N)C#N 96735 [1,1,0,0,0,0|1,0,1]=4 16 B4R0.1 C[C@H](N)CF AC1331 [1,1,0,0,0,0|1,0,0]=3 17 B6R0.1 CC[C@H](N)CC#N Y13628 [0,2,0,0,0,0|2,0,0]=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|1,0,0]=3 20 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,2,0,0,0,0|1,0,0]=3 21 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,2,0,0,0,0|1,0,0]=3 22 B6R0.5 CSCC(C)(C)N D76732 [0,2,0,0,0,0|1,0,0]=3 23 B6R0.5 C[N+](C)(C)CCO C16169 [0,2,0,0,0,0|1,0,0]=3 24 B6R1.2 CN1CCNC1 AC8535 [0,1,0,1,0,0|2,0,0]=4 25 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,1,0,1,0,0|2,0,0]=4 26 B6R1.5 CC1CC(O)C1 P19103 [0,1,0,1,0,0|1,0,0]=3 27 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [0,1,0,1,0,0|2,0,0]=4 28 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [0,1,0,1,0,0|2,0,0]=4 29 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [0,1,0,1,0,0|2,0,0]=4 30 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [0,1,0,1,0,0|2,0,0]=4 31 B6R1.5 O=C1CC(F)C1 P13807 [0,1,0,1,0,0|2,0,0]=4 32 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [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|1,1,0]=4 34 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [0,1,0,1,0,0|1,1,0]=4 35 B6R1.8 CO[C@H]1C[C@H]1N P20154 [0,1,0,1,0,0|1,1,0]=4 36 B6R1.8 CO[C@H]1C[C@H]1N P20156 [0,1,0,1,0,0|1,1,0]=4 37 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,1,0,1,0,0|1,0,0]=3 38 B6R1.9 CC1(C)C[C@@H]1Br P17575 [0,1,0,1,0,0|2,0,0]=4 39 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,1,0,1,0,0|2,0,0]=4 40 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,1,0,1,0,0|1,0,0]=3 41 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,1,0,1,0,0|1,0,0]=3 42 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,1,0,1,0,0|1,0,0]=3 43 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,1,0,1,0,0|1,0,0]=3 44 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,1,0,1,0,0|1,0,0]=3 45 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,1,0,1,0,0|1,0,0]=3 46 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,1,0,1,0,0|1,0,0]=3 47 B6R1.6 C#CC1CCC1 P19139 [0,1,0,1,0,0|2,0,0]=4 48 B6R1.6 C#CC1CNC1 P12508 [0,1,0,1,0,0|2,0,0]=4 49 B6R1.6 C#CC1COC1 94349 [0,1,0,1,0,0|1,0,1]=4 50 B6R1.6 NCC1CSC1 39006 [0,1,0,1,0,0|1,0,0]=3 51 B6R1.6 NC[C@H]1CCO1 P21081 [0,1,0,1,0,0|1,0,0]=3 52 B6R1.7 CC1(CBr)CC1 D96531 [0,1,0,1,0,0|2,0,0]=4 53 B6R1.7 NCC1(F)CC1 P18486 [0,1,0,1,0,0|2,0,0]=4 54 B6R1.7 OCC1(Cl)CC1 96433 [0,1,0,1,0,0|1,0,0]=3