0 B8R0.1 CCNC(=O)NCCO AT23087 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 CCOC(=O)NCCN AT13715 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C=CC\C=C\CCC T72633 [1,0,0,0,0,0|0,0,3]=4 3 B7R0.1 C\C=C/CCCCC T72919 [1,0,0,0,0,0|0,0,1]=2 4 B7R0.3 CCC(=O)OCOC D72002 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CCCNC(=O)CN C78397 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 CNC(=O)NCCO AT23083 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 CNC(=O)OCCO AT13707 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.3 CNOCC(=O)OC AT14517 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 COC(=N)CCCCl C76486 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 COC(=O)CCCN 32601 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 COC(=O)NCCN AT13709 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.7 CCOC(=O)CCN F19878 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.5 CCOC(=O)CCCNC AB10379 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.5 CCOC(=O)CNCCN FD21627 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.8 N#CC=C1CCCCC1 F51913 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,0,0,1,0,0|1,1,1]=4 24 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,0,0,1,0,0|1,1,1]=4 25 B9R1.15 CCN1CCCNC1=O AT26678 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.15 N#CC1=C(Cl)CCCC1 57508 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,0,0,1,0,0|1,0,1]=3 30 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC5827 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC7387 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.33 COC[C@H]1CCNC1=O AT19084 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.69 C[C@@H]1SCC(=O)NC1=O AT25440 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.69 C[C@H]1CNC(=O)CC1=O 27246 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.75 CNCC(=O)NC1CC1 F52060 [0,0,0,1,0,0|2,0,1]=4 42 B6R0.6 CCO\C=C\C=O F18326 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.6 C\C=C/CCCCl T71143 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.1 C=C[C@@H](C)CCC T72328 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.1 CCNC(=O)OC C16084 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.1 COCC(=O)OC F53343 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CCNCC(=O)O T72729 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 CCONC(C)=O AT24904 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CNCCC(N)=O C78256 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 COCOC(C)=O D72003 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 NCCCC(N)=O AC5898 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,1,0,0,0,0|1,0,0]=3 56 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.8 C=C(C)C(=O)OCCBr T70933 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|0,0,1]=3 59 B8R0.9 C=CC(=O)NC[C@H](C)O AC9846 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.5 CCCC(=O)CC(C)C T72726 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.44 CC[C@H](C)C\C(C)=C\C(=O)O C15343 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.1 CCOC(=O)CCCCCN 77390 [0,2,0,0,0,0|1,0,1]=4 66 B10R0.1 CCOC(=O)COCCCO S11911 [0,2,0,0,0,0|1,0,1]=4 67 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,2,0,0,0,0|0,0,2]=4 68 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,2,0,0,0,0|1,0,1]=4 69 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [0,2,0,0,0,0|1,0,1]=4 70 B10R0.129 CCC[C@](C)(N)C(=O)OCC D78557 [0,2,0,0,0,0|1,0,1]=4 71 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|0,0,1]=3 74 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.3 O=C1CCC(Br)CC1 C77503 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|0,0,1]=3 85 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|0,0,2]=4 89 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.18 CC1=CC(=O)NN1C AT14000 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.18 CC1CC(=O)OC1C AC8330 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.16 CC1=CC=C(CCCN)S1 W12103 [0,1,0,1,0,0|1,1,0]=4 94 B10R1.16 CC1=CN=C(CCCN)N1 F17811 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.16 CC1=NOC(CCCCl)=C1 F30371 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.61 C[C@H](O)C1=C(Br)CCCC1 E70225 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC4663 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC5828 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC7021 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,1,0,1,0,0|0,0,2]=4 101 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,1,0,1,0,0|0,0,2]=4 102 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,1,0,1,0,0|0,0,2]=4 103 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [0,1,0,1,0,0|0,1,1]=4 104 B10R1.11 CCC[C@H](N)C1=COC=C1 N16726 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.11 CCC[C@H](N)C1=COC=C1 N16727 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.11 CCC[C@H](N)C1=COC=C1 N16728 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.19 CCN1CCCNCC1=O AT20058 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,1,0,1,0,0|0,0,2]=4 112 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.138 CNCC(=O)NCC1CC1 70891 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.30 C[C@H]1CCC(Cl)=C(C=O)C1 AC9741 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.4 NCCN1CCCCC1=O 71801 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.4 O=C1CCCCN1CCO D96983 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.17 OCCCC1=CCC=CC1 72320 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.140 CCOC(=O)C1CC(F)C1 C93311 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.140 CCOC(=O)C1CC(I)C1 93588 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.5 CCCN1C=CC=C1C=O AT16217 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.5 CCCN1N=CC=C1C=O AT14284 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.63 CC1=CC(=O)CCC1(C)C 90807 [0,1,0,1,0,0|0,0,0]=2 126 B10R1.63 C[C@]1(N)CCC(=O)NC1=O AC5324 [0,1,0,1,0,0|2,0,0]=4 127 B10R2.20 CN1C2CCC1C(=O)C2 F13958 [0,0,0,2,0,0|1,0,1]=4 128 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,2,0,0|1,0,1]=4 129 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|0,0,2]=4 130 B10R2.190 O=C1OCCC12CCC2 33776 [0,0,0,2,0,0|1,0,1]=4 131 B10R2.43 O=C1OC(=O)C2CC1C2 54028 [0,0,0,2,0,0|2,0,0]=4