0 B5R1.3 C=CC1CC1 59738 [0,1,0,0,0,0|1,0,1]=3 1 B5R1.3 IC[C@H]1CO1 CS1242 [0,1,0,0,0,0|0,0,0]=1 2 B5R1.3 NNC1CC1 P19257 [0,1,0,0,0,0|2,0,0]=3 3 B5R1.3 SCC1CC1 AT12991 [0,1,0,0,0,0|1,0,0]=2 4 B5R1.4 C[C@H]1C[C@@H]1N 73029 [0,1,0,0,0,0|1,0,0]=2 5 B5R1.4 N[C@@H]1C[C@@H]1F CS2913 [0,1,0,0,0,0|2,0,0]=3 6 B3R0.1 CC#CI T72724 [0,0,1,0,0,0|1,0,2]=4 7 B3R0.1 CCCN T71779 [0,0,1,0,0,0|1,0,0]=2 8 B3R0.1 NCCI AC7986 [0,0,1,0,0,0|2,0,0]=3 9 B3R0.1 [2H]CCBr D98237 [0,0,1,0,0,0|2,0,0]=3 10 B3R0.1 [2H]OC=O D99054 [0,0,1,0,0,0|2,0,1]=4 11 B3R0.1 [2H]OCC D99756 [0,0,1,0,0,0|1,0,0]=2 12 B3R0.2 CC(=N)N T70291 [0,0,1,0,0,0|2,0,1]=4 13 B3R0.2 CC(=O)O 41449 [0,0,1,0,0,0|1,0,1]=3 14 B3R0.2 CC(=O)[O-] D76174 [0,0,1,0,0,0|1,0,2]=4 15 B3R0.2 CC(=O)[O-] F20820 [0,0,1,0,0,0|1,0,2]=4 16 B3R0.2 CC(=O)[O-] T72577 [0,0,1,0,0,0|1,0,2]=4 17 B3R0.2 CC(C)N T72805 [0,0,1,0,0,0|1,0,0]=2 18 B3R0.2 CC([15NH2])=O 41452 [0,0,1,0,0,0|1,0,2]=4 19 B3R0.2 C[13C](=O)[O-] D99050 [0,0,1,0,0,0|1,0,2]=4 20 B3R0.2 C[S@@](N)=O A10759 [0,0,1,0,0,0|2,0,1]=4 21 B3R0.2 [2H]C(=O)O T73068 [0,0,1,0,0,0|2,0,1]=4 22 B3R0.2 [2H]N(C)C D98629 [0,0,1,0,0,0|2,0,0]=3 23 B3R0.2 [2H][C@@H](C)I D98644 [0,0,1,0,0,0|2,0,0]=3 24 B5R1.2 C[C@H]1CCN1 71554 [0,0,0,0,0,1|1,0,0]=2 25 B5R1.2 FC1CNC1 31039 [0,0,0,0,0,1|2,0,0]=3 26 B5R1.2 IC1CNC1 P11673 [0,0,0,0,0,1|2,0,0]=3 27 B5R1.2 NC1CNC1 AC2715 [0,0,0,0,0,1|2,0,0]=3 28 B5R1.2 O=C1CNC1 D87722 [0,0,0,0,0,1|2,0,1]=4 29 B2R0.1 CCN T72544 [1,0,1,0,0,0|1,0,0]=3 30 B2R0.1 CNC 44403 [1,0,1,0,0,0|1,0,0]=3 31 B2R0.1 CON F16476 [1,0,1,0,0,0|1,0,0]=3 32 B4R0.1 CC(=O)CN D87844 [0,1,1,0,0,0|1,0,1]=4 33 B4R0.1 CC(C)CN T72053 [0,1,1,0,0,0|1,0,0]=3 34 B4R0.1 CC[13C](=O)O D99417 [0,1,1,0,0,0|0,0,1]=3 35 B4R0.1 CC[C@H](C)N 90231 [0,1,1,0,0,0|1,0,0]=3 36 B4R0.1 CC[C@H](C)N N12286 [0,1,1,0,0,0|1,0,0]=3 37 B4R0.1 CC[C@H](C)N N12342 [0,1,1,0,0,0|1,0,0]=3 38 B4R0.1 C[C@H](O)C#N 12324 [0,1,1,0,0,0|1,0,1]=4 39 B4R0.1 C[C@H](S)CO AC8877 [0,1,1,0,0,0|0,0,0]=2 40 B4R0.1 C[C@H](S)CS T72965 [0,1,1,0,0,0|0,1,0]=3 41 B4R0.1 [15NH2]CC(=O)O 41444 [0,1,1,0,0,0|1,0,1]=4 42 B4R0.1 [2H]C(=O)OC D99666 [0,1,1,0,0,0|1,0,1]=4 43 B4R0.1 [2H]OC(C)C D98571 [0,1,1,0,0,0|1,0,0]=3 44 B4R0.1 [2H][C@H](Br)CC D99041 [0,1,1,0,0,0|1,0,0]=3 45 B4R0.2 C#CCSC AT19944 [0,1,1,0,0,0|0,1,1]=4 46 B4R0.2 C=C=CCC T72673 [0,1,1,0,0,0|1,0,1]=4 47 B4R0.2 C=CCCI C77576 [0,1,1,0,0,0|1,0,1]=4 48 B4R0.2 C=CCCN AT25938 [0,1,1,0,0,0|1,0,1]=4 49 B4R0.2 CC#CCN AT19966 [0,1,1,0,0,0|1,0,1]=4 50 B4R0.2 CCNCC T70517 [0,1,1,0,0,0|1,0,0]=3 51 B4R0.2 CC\C=C\Br F11593 [0,1,1,0,0,0|1,0,1]=4 52 B4R0.2 CNCCS AT25552 [0,1,1,0,0,0|0,1,0]=3 53 B4R0.2 COCCS AT13674 [0,1,1,0,0,0|0,0,0]=2 54 B4R0.2 NCCCI AC8002 [0,1,1,0,0,0|1,0,0]=3 55 B4R0.2 NCCCN T70141 [0,1,1,0,0,0|1,0,0]=3 56 B4R0.2 NCCCN T70477 [0,1,1,0,0,0|1,0,0]=3 57 B4R0.2 NCCNO AT14839 [0,1,1,0,0,0|1,0,0]=3 58 B4R0.2 [2H]OCCC D99167 [0,1,1,0,0,0|0,0,0]=2 59 B4R0.3 CP(C)(=O)Cl AT21855 [0,1,1,0,0,0|1,0,1]=4 60 B4R0.3 CP(C)(=S)Cl T71511 [0,1,1,0,0,0|1,1,0]=4 61 B4R0.3 C[Ge](C)(C)Cl T71831 [0,1,1,0,0,0|1,1,0]=4 62 B4R0.3 C[N+](C)(C)C F15162 [0,1,1,0,0,0|2,0,0]=4 63 B4R0.3 C[P+](C)(C)C A12534 [0,1,1,0,0,0|2,0,0]=4 64 B4R0.3 C[Si](O)(O)O F20752 [0,1,1,0,0,0|1,1,0]=4 65 B4R0.3 [2H]C(C)(C)Br D99067 [0,1,1,0,0,0|1,0,0]=3 66 B4R0.3 [2H]C(C)(C)Cl D98394 [0,1,1,0,0,0|1,0,0]=3 67 B4R0.3 [2H]C(C)(C)I D98839 [0,1,1,0,0,0|1,0,0]=3 68 B4R0.3 [2H]C([2H])(C)Br D99303 [0,1,1,0,0,0|2,0,0]=4 69 B4R0.3 [2H]C([2H])(C)Cl D98462 [0,1,1,0,0,0|2,0,0]=4 70 B4R0.3 [2H]C([2H])(C)I D99166 [0,1,1,0,0,0|2,0,0]=4 71 B4R0.3 [2H]C([2H])(C)O D97863 [0,1,1,0,0,0|1,0,0]=3 72 B6R1.4 CC1CCC1N W15200 [0,1,0,0,0,1|1,0,0]=3 73 B6R1.4 CC1NCC1O P13360 [0,1,0,0,0,1|1,0,0]=3 74 B6R1.4 CC1OCC1N P20429 [0,1,0,0,0,1|0,0,0]=2 75 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,1,0,0,0,1|1,0,0]=3 76 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,1,0,0,0,1|2,0,0]=4 77 B6R1.5 CC1CC(C)N1 P20516 [0,1,0,0,0,1|1,0,0]=3 78 B6R1.5 C[C@H]1CC(=O)N1 D72859 [0,1,0,0,0,1|1,0,0]=3 79 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [0,1,0,0,0,1|1,0,0]=3 80 B6R1.5 NC1CC(=O)C1 D78737 [0,1,0,0,0,1|2,0,0]=4 81 B6R1.5 NC1CC(Cl)C1 AT13059 [0,1,0,0,0,1|2,0,0]=4 82 B6R1.5 NC1CC(F)C1 P12018 [0,1,0,0,0,1|2,0,0]=4 83 B6R1.5 N[C@H]1C[C@@H](Br)C1 AT13083 [0,1,0,0,0,1|2,0,0]=4 84 B6R1.5 N[C@H]1C[C@@H](O)C1 29968 [0,1,0,0,0,1|2,0,0]=4 85 B6R1.5 O[C@H]1C[C@H](Br)C1 AT12400 [0,1,0,0,0,1|2,0,0]=4 86 B6R1.6 CNC1COC1 F51705 [0,1,0,0,0,1|0,0,0]=2 87 B6R1.6 ClC[C@H]1CCO1 32069 [0,1,0,0,0,1|0,0,0]=2 88 B6R1.6 N#CC1CSC1 56781 [0,1,0,0,0,1|0,1,1]=4 89 B6R1.6 N#C[C@@H]1CCN1 P14909 [0,1,0,0,0,1|1,0,1]=4 90 B6R1.6 NOC1CCC1 97653 [0,1,0,0,0,1|2,0,0]=4 91 B6R1.6 NOC1COC1 97652 [0,1,0,0,0,1|1,0,0]=3 92 B6R1.10 CC1(F)CNC1 D79173 [0,1,0,0,0,1|1,0,0]=3 93 B6R1.3 O=C=NC1CC1 AC8066 [0,2,0,0,0,0|1,0,1]=4 94 B6R1.7 C#CC1(N)CC1 F51939 [0,2,0,0,0,0|1,0,1]=4 95 B6R1.7 CC1(C#N)CC1 94087 [0,2,0,0,0,0|1,0,0]=3 96 B6R1.7 C[C@]1(CBr)CO1 AC6229 [0,2,0,0,0,0|0,0,0]=2 97 B6R1.7 NCC1(N)CC1 91266 [0,2,0,0,0,0|1,0,0]=3 98 B6R1.8 CC1CC1C#N C77546 [0,2,0,0,0,0|1,0,0]=3 99 B6R1.8 CC1CC1CBr P20770 [0,2,0,0,0,0|1,0,0]=3 100 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,2,0,0,0,0|1,0,0]=3 101 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,2,0,0,0,0|1,0,0]=3 102 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,2,0,0,0,0|1,0,0]=3 103 B6R1.11 C=C(C)[C@@H]1CO1 S11333 [0,2,0,0,0,0|0,0,0]=2 104 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [0,2,0,0,0,0|0,0,1]=3 105 B6R1.9 CC1(C)C[C@@H]1N AT11452 [0,2,0,0,0,0|1,0,0]=3 106 B6R1.9 N[C@H]1CC1(F)F AT11294 [0,2,0,0,0,0|2,0,0]=4 107 B6R1.9 N[C@H]1CC1(F)F P11642 [0,2,0,0,0,0|2,0,0]=4 108 B6R1.2 CC1=CN=CO1 C77581 [0,0,0,0,0,2|0,0,2]=4 109 B6R1.2 CC1=NC=CO1 O10838 [0,0,0,0,0,2|0,0,2]=4 110 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,0,0,2|1,0,0]=3 111 B6R1.2 FC1CCCC1 T71800 [0,0,0,0,0,2|2,0,0]=4 112 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,0,0,2|2,0,0]=4 113 B6R1.2 O=C1CCON1 A11072 [0,0,0,0,0,2|1,0,1]=4 114 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,0,0,2|1,0,0]=3