0 B5R0.2 CSCCCCl Y14621 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.2 N#CCCC=O F20778 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 NC\C=C/CN C13830 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 NOCCON D72368 [0,0,0,0,0,0|2,1,0]=3 4 B4R0.2 CNCCF AC6046 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 CC[C@H](N)CC#N Y13628 [0,1,0,0,0,0|1,0,2]=4 6 B6R0.1 N#CC[C@H](N)CO Y14487 [0,1,0,0,0,0|3,0,0]=4 7 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,1,0,0,0,0|2,0,0]=3 8 B6R1.2 CN1CCNC1 AC8535 [0,0,0,1,0,0|3,0,0]=4 9 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,0,0,1,0,0|2,0,0]=3 10 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,0,0,1,0,0|3,0,0]=4 11 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,0,0,1,0,0|3,0,0]=4 12 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,0,0,1,0,0|3,0,0]=4 13 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,0,0,1,0,0|3,0,0]=4 14 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.4 N[C@H]1CNC1=O P11921 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.6 C#CC1CCC1 P19139 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.6 C#CC1CNC1 P12508 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.6 C#CC1COC1 94349 [0,0,0,1,0,0|1,1,1]=4 22 B6R1.6 N#CC1CCN1 AT24531 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.6 NCC1CSC1 39006 [0,0,0,1,0,0|0,0,0]=1 24 B6R1.6 NC[C@H]1CCO1 P21081 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [0,0,0,1,0,0|0,1,0]=2 26 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [0,0,0,1,0,0|0,1,0]=2 27 B6R1.8 CO[C@H]1C[C@H]1N P20154 [0,0,0,1,0,0|0,1,0]=2 28 B6R1.8 CO[C@H]1C[C@H]1N P20156 [0,0,0,1,0,0|0,1,0]=2 29 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.8 N#CC1CC1N P20045 [0,0,0,1,0,0|2,0,0]=3 31 B5R0.1 C=CC[C@H](C)N D84793 [1,1,0,0,0,0|0,0,2]=4 32 B5R0.1 C[C@H](N)CC#N 83614 [1,1,0,0,0,0|0,0,2]=4 33 B5R0.3 C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.3 NC(CF)CF 83730 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.3 CNC(=O)CCCO F10217 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,2,0,0,0,0|1,0,1]=4 37 B7R0.11 CCC[C@](C)(N)CO D75112 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.4 CC(=O)OCCCO Y14698 [0,2,0,0,0,0|1,1,0]=4 39 B7R0.4 NCCCOC(F)F 89965 [0,2,0,0,0,0|0,1,0]=3 40 B7R0.8 CC(C)(N)CCC#N 79588 [0,2,0,0,0,0|2,0,0]=4 41 B5R1.4 N[C@H]1C[C@@H]1F D78842 [1,0,0,1,0,0|1,0,0]=3 42 B5R1.4 N[C@H]1C[C@@H]1O C93527 [1,0,0,1,0,0|0,1,0]=3 43 B5R1.4 N[C@H]1C[C@H]1N P19582 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,1,0,1,0,0|1,0,1]=4 46 B7R1.1 C#C[C@H]1CCNC1 P12667 [0,1,0,1,0,0|1,0,1]=4 47 B7R1.1 C#C[C@H]1CCOC1 38451 [0,1,0,1,0,0|1,1,0]=4 48 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,1,0,1,0,0|1,0,0]=3 49 B7R1.1 CC[C@H]1CCNC1 P14868 [0,1,0,1,0,0|1,0,0]=3 50 B7R1.1 FC[C@H]1CCNC1 P18732 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,1,0,1,0,0|1,0,0]=3 52 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,1,0,1,0,0|1,0,0]=3 53 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,1,0,1,0,0|1,0,0]=3 54 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,1,0,1,0,0|1,0,0]=3 61 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,1,0,1,0,0|1,0,0]=3 62 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,1,0,1,0,0|1,0,0]=3 66 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.4 BrC1CCCC1Br D96921 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,1,0,0|0,1,0]=3 70 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.4 F[C@H]1CNC[C@@H]1F 57973 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.4 F[C@H]1CNC[C@@H]1F 72989 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.4 F[C@H]1CNC[C@@H]1F P19008 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,1,0,1,0,0|0,1,0]=3 77 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,1,0,1,0,0|0,1,0]=3 78 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,1,0,1,0,0|1,1,0]=4 81 B7R1.6 ICC[C@H]1CCO1 D79155 [0,1,0,1,0,0|1,1,0]=4 82 B7R1.6 NCC[C@H]1CCO1 D79157 [0,1,0,1,0,0|0,1,0]=3 83 B7R1.6 NCC[C@H]1CCO1 P17247 [0,1,0,1,0,0|0,1,0]=3 84 B7R1.6 OCC[C@H]1CCO1 D84844 [0,1,0,1,0,0|1,1,0]=4 85 B7R1.6 OCC[C@H]1CCO1 P19429 [0,1,0,1,0,0|1,1,0]=4 86 B7R1.8 CN1CC[C@@H]1CN P13166 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,1,0,1,0,0|0,1,0]=3 88 B7R1.8 NCC1CCC1F P18462 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.8 OCC1CCC1F P19725 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.8 OCC1CCC1O P20965 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.9 NC[C@H]1C[C@H]1CN D79390 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.10 CCN1CC(N)C1 P12468 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [0,1,0,1,0,0|1,1,0]=4 94 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [0,1,0,1,0,0|1,1,0]=4 95 B7R1.10 NC[C@H]1C[C@@H](F)C1 P13361 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.21 NC1(CCO)CC1 50078 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.22 NC[C@H](N)C1CC1 Y14018 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.25 FC1(CI)COC1 32852 [0,1,0,1,0,0|1,1,0]=4 100 B7R1.25 FCC1(F)CNC1 86890 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.25 NCC1(N)CCC1 D96796 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.25 NCC1(N)COC1 39059 [0,1,0,1,0,0|0,1,0]=3 103 B7R1.25 OCC1(O)CNC1 P14885 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.25 OCC1(O)COC1 P16013 [0,1,0,1,0,0|1,1,0]=4 105 B7R1.14 C[C@]1(F)CCNC1 P19721 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.14 C[C@]1(F)CCNC1 P19900 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.14 C[C@]1(O)CCNC1 95716 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.17 CC1(C)CC[C@@H]1O P17222 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.18 C[C@H](N)C1CCC1 P15298 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.18 C[C@H](N)C1COC1 79835 [0,1,0,1,0,0|0,1,0]=3 114 B7R1.18 C[C@H](N)C1COC1 79836 [0,1,0,1,0,0|0,1,0]=3 115 B7R1.18 C[C@H](N)C1COC1 83718 [0,1,0,1,0,0|0,1,0]=3 116 B7R1.18 C[C@H](O)C1CNC1 P15030 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.18 C[C@H](O)C1COC1 AT20599 [0,1,0,1,0,0|1,1,0]=4 118 B7R1.18 C[C@H](O)C1COC1 AT20601 [0,1,0,1,0,0|1,1,0]=4 119 B7R2.16 C1CC12CNC2 P16106 [0,0,0,2,0,0|2,0,0]=4 120 B7R2.16 C1CC2(C1)CO2 AC8443 [0,0,0,2,0,0|1,1,0]=4 121 B7R2.16 C1OCC12CO2 AT11436 [0,0,0,2,0,0|1,1,0]=4