0 B6R1.2 CN1CCNC1 AC8535 [0,1,0,0,0,0|1,0,0]=2 1 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,1,0,0,0,0|0,0,0]=1 2 B4R0.2 CNCCF AC6046 [0,0,1,0,0,0|1,0,0]=2 3 B5R0.1 C=CC[C@H](C)N D84793 [0,1,1,0,0,0|0,0,2]=4 4 B5R0.1 C[C@H](N)CC#N 83614 [0,1,1,0,0,0|0,0,2]=4 5 B5R0.2 CSCCCCl Y14621 [0,1,1,0,0,0|1,0,0]=3 6 B5R0.2 NC\C=C/CN C13830 [0,1,1,0,0,0|0,0,2]=4 7 B5R0.2 NOCCON D72368 [0,1,1,0,0,0|2,0,0]=4 8 B5R0.3 C=C[C@@H](N)CC 68012 [0,1,1,0,0,0|1,0,1]=4 9 B5R0.3 NC(CF)CF 83730 [0,1,1,0,0,0|2,0,0]=4 10 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,2,0,0,0,0|0,0,0]=2 11 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,2,0,0,0,0|0,0,0]=2 12 B7R1.1 C#C[C@H]1CCNC1 P12667 [0,2,0,0,0,0|0,0,0]=2 13 B7R1.1 C#C[C@H]1CCOC1 38451 [0,2,0,0,0,0|1,0,0]=3 14 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,2,0,0,0,0|0,0,0]=2 15 B7R1.1 CC[C@H]1CCNC1 P14868 [0,2,0,0,0,0|0,0,0]=2 16 B7R1.1 FC[C@H]1CCNC1 P18732 [0,2,0,0,0,0|0,0,0]=2 17 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,2,0,0,0,0|1,0,1]=4 18 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,2,0,0,0,0|1,0,1]=4 19 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,2,0,0,0,0|1,0,1]=4 20 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,2,0,0,0,0|0,0,0]=2 21 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,2,0,0,0,0|0,0,0]=2 22 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,2,0,0,0,0|0,0,0]=2 23 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,2,0,0,0,0|0,0,0]=2 24 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,2,0,0,0,0|0,0,0]=2 25 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,2,0,0,0,0|0,0,0]=2 26 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,2,0,0,0,0|0,0,1]=3 27 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,2,0,0,0,0|1,0,0]=3 28 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,2,0,0,0,0|0,0,1]=3 29 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,2,0,0,0,0|1,0,0]=3 30 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,2,0,0,0,0|1,0,0]=3 31 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,2,0,0,0,0|1,0,0]=3 32 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,2,0,0,0,0|1,0,0]=3 33 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,2,0,0,0,0|1,0,0]=3 34 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,2,0,0,0,0|1,0,0]=3 35 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,2,0,0,0,0|1,0,0]=3 36 B7R1.4 BrC1CCCC1Br D96921 [0,2,0,0,0,0|1,0,0]=3 37 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,2,0,0,0,0|0,0,0]=2 38 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,2,0,0,0,0|1,0,0]=3 39 B7R1.4 C[C@H]1CCNC1=O D72754 [0,2,0,0,0,0|0,0,1]=3 40 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,2,0,0,0,0|0,0,0]=2 41 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,2,0,0,0,0|0,0,0]=2 42 B7R1.4 F[C@H]1CNC[C@@H]1F 57973 [0,2,0,0,0,0|0,0,0]=2 43 B7R1.4 F[C@H]1CNC[C@@H]1F 72989 [0,2,0,0,0,0|0,0,0]=2 44 B7R1.4 F[C@H]1CNC[C@@H]1F P19008 [0,2,0,0,0,0|0,0,0]=2 45 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,2,0,0,0,0|1,0,0]=3 47 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,2,0,0,0,0|1,0,0]=3 48 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,2,0,0,0,0|0,0,0]=2 49 B7R1.14 C[C@]1(F)CCNC1 P19721 [0,2,0,0,0,0|0,0,0]=2 50 B7R1.14 C[C@]1(F)CCNC1 P19900 [0,2,0,0,0,0|0,0,0]=2 51 B7R1.14 C[C@]1(O)CCNC1 95716 [0,2,0,0,0,0|0,0,0]=2 52 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,2,0,0,0,0|0,0,0]=2 53 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,2,0,0,0,0|0,0,0]=2 54 B5R1.4 N[C@H]1C[C@@H]1F D78842 [0,0,1,1,0,0|1,0,0]=3 55 B5R1.4 N[C@H]1C[C@@H]1O C93527 [0,0,1,1,0,0|1,0,0]=3 56 B5R1.4 N[C@H]1C[C@H]1N P19582 [0,0,1,1,0,0|1,0,0]=3