0 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,0,0,0,0,0|1,0,2]=3 11 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,0,0,0,0,0|0,0,4]=4 14 B10R0.74 C#CCCCCOC(C)C=C 34a_100000695699_100010269958 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.74 C#CCCCCSC(C)C=C 62a_100011215867_100010269958 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.74 C#CCCCNCC(O)C=C 34a_100000718082_100000730141 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.74 C#CCCCOCC(C)C=C 34a_100011215527_100000695029 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.74 C#CCCCOCC(C)C=C 7a_100011215527_100011215417 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.74 C#CCCCOCC(O)C=C 34a_100000215630_100000730141 [0,0,0,0,0,0|1,0,2]=3 20 B10R0.74 C#CCCCOCC(O)C=C 7a_100000215630_100000730141 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.74 C#CCCCOC[C@@H](N)C=C 34a_100016989147_100000695029 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.74 C#CCCCSCC(O)C=C 62a_100000730141_100011215417 [0,0,0,0,0,0|1,0,2]=3 23 B10R0.74 C#CCCCSCC(O)C=C 62a_100011215417_100000730141 [0,0,0,0,0,0|1,0,2]=3 24 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.74 C=CC(=NNCCCCC)C 4a_100000694160_200015361842 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,0,0,0,0,0|1,0,3]=4 28 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,0,0,0,0,0|0,0,2]=2 29 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,0,0,0,0,0|1,0,2]=3 30 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,0,0,0,0,0|1,0,2]=3 31 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,0,0,0,0,0|1,0,2]=3 32 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,0,0,0,0,0|1,0,2]=3 34 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,0,0,0,0,0|1,0,2]=3 35 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.74 C=CC(C)COC/C=C\CC 34a_100011215527_100103147603 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.74 C=CC(C)COC/C=C\CC 7a_100011215527_100103147603 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.74 C=CC(C)COCC#CCC 34a_100011215527_100009813939 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.74 C=CC(C)COCC#CCC 7a_100011215527_100009813939 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.74 C=CC(C)COCCCC#N 7a_100011215527_100000687738 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.74 C=CC(C)COCCCC=O 7a_100011215527_200011292268 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,0,0,0,0,0|2,0,0]=2 56 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,0,0,0,0,0|2,0,0]=2 57 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,0,0,0,0,0|3,0,0]=3 58 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,0,0,0,0,0|3,0,0]=3 59 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,0,0,0,0,0|3,0,0]=3 60 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,0,0,0,0,0|3,0,0]=3 64 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,0,0,0,0,0|3,0,0]=3 65 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,0,0,0,0,0|3,0,0]=3 66 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,0,0,0,0,0|3,0,0]=3 67 B10R0.74 C=CC(C)OCC/C=C\CC 34a_100000695699_100015370543 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,0,0,0,0,0|2,0,0]=2 69 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,0,0,0,0,0|3,0,0]=3 70 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,0,0,0,0,0|3,0,0]=3 71 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,0,0,0,0,0|3,0,0]=3 72 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,0,0,0,0,0|3,0,0]=3 73 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,0,0,0,0,0|3,0,0]=3 74 B10R0.74 C=CC(C)OCCOCCO 34a_100000695699_100000692535 [0,0,0,0,0,0|4,0,0]=4 75 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,0,0,0,0,0|3,0,0]=3 76 B10R0.74 C=CC(C)SCC/C=C\CC 62a_100011215867_100015370543 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.74 C=CC(C)SCCCCC#N 62a_100011215867_100000211819 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.74 C=CC(C)SCCCCC=O 62a_100011215867_100000139335 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,0,0,0,0,0|2,0,0]=2 80 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,0,0,0,0,0|3,0,0]=3 81 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,0,0,0,0,0|3,0,0]=3 82 B10R0.74 C=CC(C)SCCCCOC 62a_100011215867_100000730899 [0,0,0,0,0,0|3,0,0]=3 83 B10R0.74 C=CC(C)SCCCOCC 62a_100011215867_100012232248 [0,0,0,0,0,0|3,0,0]=3 84 B10R0.74 C=CC(C)SCCOCCC 62a_100011215867_100011215938 [0,0,0,0,0,0|3,0,0]=3 85 B10R0.74 C=CC(C)SCCOCCO 62a_100011215867_100011215305 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,0,0,0,0,0|3,0,0]=3 87 B10R0.74 C=CC(C)SCOCCOC 62a_100011215867_100000231047 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,0,0,0,0,0|1,0,0]=1 89 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,0,0,0,0,0|2,0,0]=2 90 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,0,0,0,0,0|2,0,0]=2 91 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,0,0,0,0,0|2,0,0]=2 92 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,0,0,0,0,0|2,0,0]=2 93 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,0,0,0,0,0|2,0,0]=2 94 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,0,0,0,0,0|2,0,0]=2 95 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,0,0,0,0,0|2,0,0]=2 96 B10R0.74 C=CC(O)COC/C=C\CC 34a_100016268518_100000730141 [0,0,0,0,0,0|1,0,2]=3 97 B10R0.74 C=CC(O)COCC#CCC 34a_100000032950_100000730141 [0,0,0,0,0,0|1,0,2]=3 98 B10R0.74 C=CC(O)COCC#CCCl 34a_200000047223_100000730141 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.74 C=CC(O)COCC/C=C/C 34a_100016278192_100000730141 [0,0,0,0,0,0|1,0,2]=3 100 B10R0.74 C=CC(O)COCCC#CC 34a_100000750427_100000730141 [0,0,0,0,0,0|1,0,2]=3 101 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,0,0,0,0,0|2,0,0]=2 102 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,0,0,0,0,0|1,0,0]=1 103 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,0,0,0,0,0|1,0,0]=1 104 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,0,0,0,0,0|2,0,0]=2 105 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,0,0,0,0,0|2,0,0]=2 106 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,0,0,0,0,0|2,0,0]=2 107 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,0,0,0,0,0|2,0,0]=2 108 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,0,0,0,0,0|2,0,0]=2 109 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,0,0,0,0,0|2,0,0]=2 110 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,0,0,0,0,0|2,0,0]=2 111 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,0,0,0,0,0|2,0,0]=2 112 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,0,0,0,0,0|2,0,0]=2 113 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,0,0,0,0,0|2,0,0]=2 114 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,0,0,0,0,0|2,0,0]=2 115 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,0,0,0,0,0|2,0,0]=2 116 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,0,0,0,0,0|2,0,0]=2 117 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,0,0,0,0,0|2,0,0]=2 118 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100000730141_100103147603 [0,0,0,0,0,0|1,0,2]=3 119 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100103147603_100000730141 [0,0,0,0,0,0|1,0,2]=3 120 B10R0.74 C=CC(O)CSCC#CCC 62a_100000730141_100009813939 [0,0,0,0,0,0|1,0,2]=3 121 B10R0.74 C=CC(O)CSCC#CCC 62a_100009813939_100000730141 [0,0,0,0,0,0|1,0,2]=3 122 B10R0.74 C=CC(O)CSCC#CCO 62a_100000730141_200000047223 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.74 C=CC(O)CSCC#CCO 62a_200000047223_100000730141 [0,0,0,0,0,0|2,0,2]=4 124 B10R0.74 C=CC(O)CSCCCC#N 62a_100000687738_100000730141 [0,0,0,0,0,0|2,0,1]=3 125 B10R0.74 C=CC(O)CSCCCC#N 62a_100000730141_100000687738 [0,0,0,0,0,0|2,0,1]=3 126 B10R0.74 C=CC(O)CSCCCC=O 62a_100000730141_200011292268 [0,0,0,0,0,0|2,0,1]=3 127 B10R0.74 C=CC(O)CSCCCC=O 62a_200011292268_100000730141 [0,0,0,0,0,0|2,0,1]=3 128 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,0,0,0,0,0|1,0,0]=1 129 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,0,0,0,0,0|1,0,0]=1 130 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,0,0,0,0,0|2,0,0]=2 131 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,0,0,0,0,0|2,0,0]=2 132 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,0,0,0,0,0|2,0,0]=2 133 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,0,0,0,0,0|2,0,0]=2 134 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,0,0,0,0,0|2,0,0]=2 135 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,0,0,0,0,0|2,0,0]=2 136 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,0,0,0,0,0|2,0,0]=2 137 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,0,0,0,0,0|2,0,0]=2 138 B10R0.74 C=CC(O)CSCCSC#N 62a_100000034367_100000730141 [0,0,0,0,0,0|3,0,1]=4 139 B10R0.74 C=CC(O)CSCCSC#N 62a_100000730141_100000034367 [0,0,0,0,0,0|3,0,1]=4 140 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,0,0,0,0,0|2,0,0]=2 141 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,0,0,0,0,0|2,0,0]=2 142 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,0,0,0,0,0|0,0,4]=4 143 B10R0.74 C=CCCCCOC(C)C=C 34a_100000695699_100011215482 [0,0,0,0,0,0|2,0,2]=4 144 B10R0.74 C=CCCCCSC(C)C=C 62a_100011215867_100011215482 [0,0,0,0,0,0|2,0,2]=4 145 B10R0.74 C=CCCCNCC(O)C=C 2230a_100000700776_100000730141 [0,0,0,0,0,0|1,0,2]=3 146 B10R0.74 C=CCCCNCC(O)C=C 34a_100000700776_100000730141 [0,0,0,0,0,0|1,0,2]=3 147 B10R0.74 C=CCCCOCC(C)C=C 34a_100011215527_100000757094 [0,0,0,0,0,0|2,0,2]=4 148 B10R0.74 C=CCCCOCC(C)C=C 7a_100011215527_100000757094 [0,0,0,0,0,0|2,0,2]=4 149 B10R0.74 C=CCCCOCC(O)C=C 34a_100000758997_100000730141 [0,0,0,0,0,0|1,0,2]=3 150 B10R0.74 C=CCCCOCC(O)C=C 7a_100000758997_100000730141 [0,0,0,0,0,0|1,0,2]=3 151 B10R0.74 C=CCCCOC[C@@H](N)C=C 34a_100016989147_100000757094 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.74 C=CCCCSCC(O)C=C 62a_100000730141_100000757094 [0,0,0,0,0,0|1,0,2]=3 153 B10R0.74 C=CCCCSCC(O)C=C 62a_100011713584_100000730141 [0,0,0,0,0,0|1,0,2]=3 154 B10R0.74 C=COCCOCC(O)C=C 34a_100000033082_100000730141 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.74 C=COCCSCC(O)C=C 62a_100000039644_100000730141 [0,0,0,0,0,0|2,0,2]=4 156 B10R0.74 C=COCCSCC(O)C=C 62a_100000730141_100000039644 [0,0,0,0,0,0|2,0,2]=4 157 B10R0.74 C=C[C@H](N)COC/C=C\CC 34a_100016989147_100103147603 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.74 C=C[C@H](N)COCC#CCC 34a_100016989147_100009813939 [0,0,0,0,0,0|2,0,2]=4 159 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,0,0,0,0,0|2,0,0]=2 160 B10R0.74 C=C[C@H](N)COCCCCF 34a_100016989147_100000729493 [0,0,0,0,0,0|3,0,0]=3 161 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,0,0,0,0,0|3,0,0]=3 162 B10R0.74 C=C[C@H](N)COCCCOC 34a_100016989147_100000740836 [0,0,0,0,0,0|3,0,0]=3 163 B10R0.74 C=C[C@H](N)COCCOCC 34a_100016989147_100000210147 [0,0,0,0,0,0|3,0,0]=3 164 B10R0.74 C=C[C@H](N)COCCSCC 34a_100016989147_100000757381 [0,0,0,0,0,0|3,0,0]=3 165 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,0,0,0,0,0|2,0,2]=4 169 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,0,0,0,0,0|2,0,2]=4 170 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,0,0,0,0,0|2,0,2]=4 171 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,0,0,0,0,0|2,0,2]=4 172 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,0,0,0,0,0|2,0,2]=4 173 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,0,0,0,0,0|2,0,2]=4 177 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,0,0,0,0,0|2,0,2]=4 184 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,0,0,0,0,0|2,0,2]=4 185 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,0,0,0,0,0|2,0,2]=4 186 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,0,0,0,0,0|2,0,2]=4 187 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,0,0,0,0,0|2,0,2]=4 188 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,0,0,0,0,0|2,0,2]=4 189 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,0,0,0,0,0|0,0,4]=4 192 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,0,0,0,0,0|0,0,4]=4 193 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,0,0,0,0,0|1,0,3]=4 194 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,0,0,0,0,0|1,0,3]=4 195 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,0,0,0,0,0|1,0,3]=4 196 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,0,0,0,0,0|1,0,3]=4 197 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,0,0,0,0,0|1,0,3]=4 198 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,0,0,0,0,0|1,0,3]=4 199 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 200 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,0,0,0,0,0|2,0,1]=3 201 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,0,0,0,0,0|2,0,1]=3 202 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 203 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,0,0,0,0,0|2,0,1]=3 204 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,0,0,0,0,0|2,0,1]=3 205 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,0,0,0,0,0|2,0,1]=3 206 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,0,0,0,0,0|2,0,1]=3 207 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,0,0,0,0,0|2,0,1]=3 208 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,0,0,0,0,0|2,0,1]=3 209 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,0,0,0,0,0|2,0,1]=3 210 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,0,0,0,0,0|2,0,1]=3 211 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,0,0,0,0,0|2,0,1]=3 212 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,0,0,0,0,0|2,0,2]=4 213 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,0,0,0,0,0|2,0,2]=4 214 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,0,0,0,0,0|2,0,2]=4 215 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,0,0,0,0,0|2,0,2]=4 216 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,0,0,0,0,0|2,0,2]=4 217 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,0,0,0,0,0|2,0,2]=4 220 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,0,0,0,0,0|2,0,2]=4 221 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,0,0,0,0,0|3,0,1]=4 222 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,0,0,0,0,0|2,0,2]=4 224 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,0,0,0,0,0|2,0,2]=4 225 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,0,0,0,0,0|3,0,1]=4 226 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,0,0,0,0,0|3,0,1]=4 227 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,0,0,0,0,0|3,0,1]=4 228 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,0,0,0,0,0|3,0,1]=4 229 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,0,0,0,0,0|2,0,2]=4 231 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,0,0,0,0,0|2,0,2]=4 232 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,0,0,0,0,0|3,0,1]=4 233 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,0,0,0,0,0|3,0,1]=4 234 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,0,0,0,0,0|3,0,1]=4 235 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,0,0,0,0,0|3,0,1]=4 236 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,0,0,0,0,0|3,0,1]=4 237 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,0,0,0,0,0|3,0,1]=4 239 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,0,0,0,0,0|2,0,2]=4 240 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,0,0,0,0,0|2,0,2]=4 241 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,0,0,0,0,0|3,0,1]=4 242 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,0,0,0,0,0|3,0,1]=4 243 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,0,0,0,0,0|3,0,1]=4 244 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,0,0,0,0,0|3,0,1]=4 245 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,0,0,0,0,0|3,0,1]=4 246 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,0,0,0,0,0|3,0,1]=4 247 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,0,0,0,0,0|3,0,1]=4 248 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,0,0,0,0,0|2,0,2]=4 251 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,0,0,0,0,0|3,0,1]=4 252 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,0,0,0,0,0|1,0,2]=3 253 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,0,0,0,0,0|1,0,2]=3 254 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,0,0,0,0,0|2,0,1]=3 255 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,0,0,0,0,0|3,0,1]=4 257 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,0,0,0,0,0|3,0,1]=4 258 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,0,0,0,0,0|3,0,1]=4 259 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,0,0,0,0,0|2,0,1]=3 260 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,0,0,0,0,0|2,0,1]=3 261 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,0,0,0,0,0|2,0,1]=3 262 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,0,0,0,0,0|2,0,2]=4 263 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,0,0,0,0,0|2,0,2]=4 264 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,0,0,0,0,0|3,0,1]=4 265 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,0,0,0,0,0|3,0,1]=4 266 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,0,0,0,0,0|3,0,1]=4 267 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,0,0,0,0,0|1,0,2]=3 268 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,0,0,0,0,0|1,0,2]=3 269 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,0,0,0,0,0|2,0,1]=3 270 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,0,0,0,0,0|2,0,1]=3 271 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,0,0,0,0,0|2,0,2]=4 272 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,0,0,0,0,0|2,0,2]=4 273 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,0,0,0,0,0|2,0,2]=4 274 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,0,0,0,0,0|3,0,1]=4 275 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,0,0,0,0,0|2,0,1]=3 277 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,0,0,0,0,0|2,0,1]=3 278 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,0,0,0,0,0|2,0,1]=3 279 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,0,0,0,0,0|2,0,1]=3 280 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,0,0,0,0,0|3,0,1]=4 281 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,0,0,0,0,0|2,0,2]=4 282 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,0,0,0,0,0|2,0,2]=4 283 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,0,0,0,0,0|1,0,2]=3 284 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,0,0,0,0,0|1,0,2]=3 285 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,0,0,0,0,0|2,0,1]=3 286 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,0,0,0,0,0|2,0,1]=3 287 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,0,0,0,0,0|2,0,2]=4 288 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,0,0,0,0,0|2,0,2]=4 289 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,0,0,0,0,0|3,0,1]=4 290 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,0,0,0,0,0|2,0,1]=3 292 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,0,0,0,0,0|2,0,1]=3 293 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,0,0,0,0,0|2,0,1]=3 294 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,0,0,0,0,0|2,0,1]=3 295 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,0,0,0,0,0|2,0,2]=4 296 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,0,0,0,0,0|3,0,1]=4 297 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,0,0,0,0,0|3,0,1]=4 298 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,0,0,0,0,0|2,0,2]=4 299 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,0,0,0,0,0|2,0,2]=4 301 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,0,0,0,0,0|3,0,1]=4 302 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,0,0,0,0,0|2,0,2]=4 303 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,0,0,0,0,0|2,0,2]=4 304 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,0,0,0,0,0|2,0,2]=4 305 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,0,0,0,0,0|3,0,1]=4 306 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,0,0,0,0,0|3,0,1]=4 307 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,0,0,0,0,0|3,0,1]=4 308 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,0,0,0,0,0|3,0,1]=4 310 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,0,0,0,0,0|3,0,1]=4 311 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,0,0,0,0,0|3,0,1]=4 312 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,0,0,0,0,0|2,0,2]=4 313 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,0,0,0,0,0|2,0,2]=4 314 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,0,0,0,0,0|3,0,1]=4 315 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,0,0,0,0,0|3,0,1]=4 316 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,0,0,0,0,0|3,0,1]=4 317 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,0,0,0,0,0|3,0,1]=4 318 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,0,0,0,0,0|3,0,1]=4 319 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,0,0,0,0,0|3,0,1]=4 320 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,0,0,0,0,0|2,0,2]=4 321 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,0,0,0,0,0|2,0,2]=4 322 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,0,0,0,0,0|3,0,1]=4 323 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,0,0,0,0,0|3,0,1]=4 324 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,0,0,0,0,0|3,0,1]=4 325 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,0,0,0,0,0|3,0,1]=4 326 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,0,0,0,0,0|3,0,1]=4 327 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,0,0,0,0,0|3,0,1]=4 328 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,0,0,0,0,0|2,0,2]=4 329 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,0,0,0,0,0|2,0,2]=4 330 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,0,0,0,0,0|3,0,1]=4 332 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,0,0,0,0,0|3,0,1]=4 333 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,0,0,0,0,0|2,0,2]=4 335 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,0,0,0,0,0|2,0,2]=4 336 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,0,0,0,0,0|3,0,1]=4 338 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,0,0,0,0,0|3,0,1]=4 339 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,0,0,0,0,0|3,0,1]=4 340 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,0,0,0,0,0|3,0,1]=4 341 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,0,0,0,0,0|3,0,1]=4 342 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,0,0,0,0,0|2,0,2]=4 343 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,0,0,0,0,0|2,0,2]=4 344 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,0,0,0,0,0|3,0,1]=4 345 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,0,0,0,0,0|3,0,1]=4 346 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,0,0,0,0,0|3,0,1]=4 347 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,0,0,0,0,0|3,0,1]=4 348 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,0,0,0,0,0|3,0,1]=4 349 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,0,0,0,0,0|3,0,1]=4 350 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,0,0,0,0,0|3,0,1]=4 351 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,0,0,0,0,0|3,0,1]=4 352 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,0,0,0,0,0|3,0,1]=4 353 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,0,0,0,0,0|3,0,1]=4 354 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,0,0,0,0,0|3,0,1]=4 355 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,0,0,0,0,0|3,0,1]=4 356 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,0,0,0,0,0|3,0,1]=4 357 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,0,0,0,0,0|3,0,1]=4 358 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,0,0,0,0,0|3,0,1]=4 359 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,0,0,0,0,0|3,0,1]=4 360 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,0,0,0,0,0|3,0,1]=4 361 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,0,0,0,0,0|3,0,1]=4 362 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,0,0,0,0,0|3,0,1]=4 363 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,0,0,0,0,0|3,0,1]=4 364 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,0,0,0,0,0|3,0,1]=4 365 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,0,0,0,0,0|3,0,1]=4 366 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,0,0,0,0,0|3,0,1]=4 367 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,0,0,0,0,0|3,0,1]=4 368 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,0,0,0,0,0|3,0,1]=4 369 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,0,0,0,0,0|3,0,1]=4 370 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,0,0,0,0,0|3,0,1]=4 371 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,0,0,0,0,0|3,0,1]=4 372 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,0,0,0,0,0|3,0,1]=4 373 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,0,0,0,0,0|3,0,1]=4 374 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,0,0,0,0,0|3,0,1]=4 375 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,0,0,0,0,0|3,0,1]=4 376 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,0,0,0,0,0|3,0,1]=4 377 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,0,0,0,0,0|3,0,1]=4 378 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,0,0,0,0,0|3,0,1]=4 379 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,0,0,0,0,0|3,0,1]=4 380 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,0,0,0,0,0|3,0,1]=4 381 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,0,0,0,0,0|3,0,1]=4 382 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,0,0,0,0,0|3,0,1]=4 383 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,0,0,0,0,0|3,0,1]=4 384 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,0,0,0,0,0|3,0,1]=4 385 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,0,0,0,0,0|3,0,1]=4 386 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,0,0,0,0,0|3,0,1]=4 387 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,0,0,0,0,0|3,0,1]=4 389 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,0,0,0,0,0|3,0,1]=4 390 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,0,0,0,0,0|3,0,1]=4 391 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,0,0,0,0,0|3,0,1]=4 392 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,0,0,0,0,0|3,0,1]=4 393 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,0,0,0,0,0|3,0,1]=4 394 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,0,0,0,0,0|3,0,1]=4 395 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,0,0,0,0,0|3,0,1]=4 396 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,0,0,0,0,0|3,0,1]=4 397 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,0,0,0,0,0|3,0,1]=4 398 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,0,0,0,0,0|3,0,1]=4 399 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,0,0,0,0,0|3,0,1]=4 400 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,0,0,0,0,0|3,0,1]=4 401 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,0,0,0,0,0|3,0,1]=4 402 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,0,0,0,0,0|3,0,1]=4 403 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,0,0,0,0,0|3,0,1]=4 404 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,0,0,0,0,0|3,0,1]=4 405 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,0,0,0,0,0|3,0,1]=4 406 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,0,0,0,0,0|3,0,1]=4 407 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,0,0,0,0,0|3,0,1]=4 408 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,0,0,0,0,0|3,0,1]=4 409 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,0,0,0,0,0|3,0,1]=4 410 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,0,0,0,0,0|3,0,1]=4 411 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,0,0,0,0,0|3,0,1]=4 412 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,0,0,0,0,0|3,0,1]=4 413 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,0,0,0,0,0|3,0,1]=4 414 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,0,0,0,0,0|3,0,1]=4 415 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,0,0,0,0,0|3,0,1]=4 416 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,0,0,0,0,0|2,0,1]=4 417 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|2,0,1]=4 418 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|2,0,1]=4 419 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|2,0,1]=4 420 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|2,0,1]=4 421 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|2,0,1]=4 422 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|2,0,1]=4 423 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|2,0,1]=4 424 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 428 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|2,0,1]=4 430 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,0,0,0,0,0|2,0,1]=4 431 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,0,0,0,0,0|2,0,1]=4 432 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,0,0,0,0,0|2,0,1]=4 433 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,0,0,0,0,0|2,0,1]=4 434 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,0,0,0,0,0|2,0,1]=4 436 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 437 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 438 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 439 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 440 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,1]=4 441 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,1]=4 442 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,0,0,0,0,0|2,0,1]=4 443 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,0,0,0,0,0|2,0,1]=4 444 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,0,0,0,0,0|2,0,1]=4 445 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,0,0,0,0,0|2,0,1]=4 446 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,0,0,0,0,0|2,0,1]=4 447 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,0,0,0,0,0|2,0,1]=4 448 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,0,0,0,0,0|2,0,1]=4 449 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,0,0,0,0,0|2,0,1]=4 450 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,0,0,0,0,0|2,0,1]=4 451 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [1,0,0,0,0,0|2,0,1]=4 452 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [1,0,0,0,0,0|2,0,1]=4 453 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [1,0,0,0,0,0|2,0,1]=4 454 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,0,0,0,0,0|2,0,1]=4 455 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,0,0,0,0,0|2,0,1]=4 456 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,0,0,0,0,0|2,0,1]=4 457 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,0,0,0,0,0|2,0,1]=4 458 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [1,0,0,0,0,0|2,0,1]=4 460 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [1,0,0,0,0,0|2,0,1]=4 461 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,0,0,0,0,0|2,0,1]=4 462 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,0,0,0,0,0|2,0,1]=4 463 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,0,0,0,0,0|2,0,1]=4 464 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,0,0,0,0,0|2,0,1]=4 465 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,0,0,0,0,0|2,0,1]=4 466 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,0,0,0,0,0|2,0,1]=4 467 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,0,0,0,0,0|2,0,1]=4 468 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,0,0,0,0,0|2,0,1]=4 469 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,0,0,0,0,0|2,0,1]=4 470 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,0,0,0,0,0|2,0,1]=4 471 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,0,0,0,0,0|2,0,1]=4 472 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,0,0,0,0,0|2,0,1]=4 473 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,0,0,0,0,0|2,0,1]=4 474 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,0,0,0,0,0|2,0,1]=4 475 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,0,0,0,0,0|2,0,1]=4 476 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,0,0,0,0,0|2,0,1]=4 477 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,0,0,0,0,0|2,0,1]=4 478 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,0,0,0,0,0|2,0,1]=4 479 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,0,0,0,0,0|2,0,1]=4 480 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|0,0,3]=4 481 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|0,0,3]=4 482 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|0,0,3]=4 483 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 484 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 485 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 486 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 487 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 488 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 489 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 491 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 492 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 493 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,1]=4 496 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,1]=4 497 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|2,0,1]=4 498 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,1]=4 499 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,1]=4 500 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,1]=4 501 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,1]=4 502 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|1,0,1]=3 503 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|1,0,1]=3 504 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|1,0,1]=3 505 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [1,0,0,0,0,0|3,0,0]=4 506 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [1,0,0,0,0,0|3,0,0]=4 507 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|1,0,1]=3 508 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|2,0,1]=4 509 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,1]=4 510 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,1]=4 511 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|1,0,1]=3 514 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|1,0,1]=3 515 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,0,0,0,0,0|3,0,0]=4 516 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,0,0,0,0,0|3,0,0]=4 517 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,0,0,0,0,0|3,0,0]=4 518 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|2,0,1]=4 519 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|2,0,1]=4 520 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|1,0,1]=3 521 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|1,0,1]=3 522 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,1]=4 523 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,1]=4 524 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|1,0,1]=3 525 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|1,0,1]=3 526 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [1,0,0,0,0,0|3,0,0]=4 527 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [1,0,0,0,0,0|3,0,0]=4 528 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|1,0,1]=3 529 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|1,0,1]=3 530 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|2,0,1]=4 531 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|2,0,1]=4 532 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|2,0,1]=4 533 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|1,0,1]=3 534 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|1,0,1]=3 535 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|1,0,1]=3 536 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|2,0,1]=4 537 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|2,0,1]=4 538 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|2,0,1]=4 539 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|2,0,1]=4 540 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|2,0,1]=4 541 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|1,0,1]=3 542 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|1,0,1]=3 543 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,0,0,0,0,0|3,0,0]=4 544 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|2,0,1]=4 545 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|2,0,1]=4 546 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|2,0,1]=4 547 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|1,0,1]=3 548 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|1,0,1]=3 549 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 550 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 551 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,1]=4 552 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 553 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 554 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|1,0,1]=3 555 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,1]=4 556 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,1]=4 557 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|1,0,1]=3 558 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|1,0,1]=3 559 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,0,0,0,0,0|3,0,0]=4 560 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,1]=4 561 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,0,0,0,0,0|3,0,0]=4 562 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 563 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,1]=4 564 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 565 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,0,0,0,0,0|2,0,1]=4 566 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,0,0,0,0,0|2,0,1]=4 567 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,0,0,0,0,0|2,0,1]=4 568 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,0,0,0,0,0|2,0,1]=4 569 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,0,0,0,0,0|2,0,1]=4 570 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,0,0,0,0,0|2,0,1]=4 571 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,0,0,0,0,0|2,0,1]=4 572 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,0,0,0,0,0|2,0,1]=4 573 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,0,0,0,0,0|2,0,1]=4 574 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,0,0,0,0,0|2,0,1]=4 575 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,0,0,0,0,0|2,0,1]=4 576 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,0,0,0,0,0|2,0,1]=4 577 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,0,0,0,0,0|2,0,1]=4 578 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,0,0,0,0,0|2,0,1]=4 579 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,0,0,0,0,0|2,0,1]=4 580 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,0,0,0,0,0|2,0,1]=4 581 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,0,0,0,0,0|3,0,0]=4 583 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,1]=4 584 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,1]=4 585 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,0,0,0,0,0|2,0,1]=4 586 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,0,0,0,0,0|2,0,1]=4 587 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,0,0,0,0,0|2,0,1]=4 588 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,0,0,0,0,0|2,0,1]=4 589 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,0,0,0,0,0|2,0,1]=4 590 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,0,0,0,0,0|2,0,1]=4 591 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,0,0,0,0,0|2,0,1]=4 592 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,0,0,0,0,0|2,0,1]=4 593 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,0,0,0,0,0|2,0,1]=4 594 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,0,0,0,0,0|2,0,1]=4 595 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,0,0,0,0,0|2,0,1]=4 596 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,0,0,0,0,0|2,0,1]=4 597 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,0,0,0,0,0|3,0,0]=4 598 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,0,0,0,0,0|3,0,0]=4 599 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,0,0,0,0,0|3,0,0]=4 600 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 601 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 602 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 603 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,1]=4 604 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 605 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,0,0,0,0,0|2,0,1]=4 606 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,0,0,0,0,0|2,0,1]=4 607 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,0,0,0,0,0|3,0,0]=4 608 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 609 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 611 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [1,0,0,0,0,0|2,0,1]=4 612 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [1,0,0,0,0,0|2,0,1]=4 613 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [1,0,0,0,0,0|2,0,1]=4 614 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [1,0,0,0,0,0|2,0,1]=4 615 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,0,0,0,0,0|2,0,1]=4 616 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,0,0,0,0,0|2,0,1]=4 617 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [1,0,0,0,0,0|2,0,1]=4 618 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [1,0,0,0,0,0|2,0,1]=4 619 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [1,0,0,0,0,0|2,0,1]=4 620 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [1,0,0,0,0,0|2,0,1]=4 621 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [1,0,0,0,0,0|2,0,1]=4 622 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [1,0,0,0,0,0|2,0,1]=4 623 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,0,0,0,0,0|2,0,1]=4 624 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [1,0,0,0,0,0|2,0,1]=4 625 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [1,0,0,0,0,0|2,0,1]=4 626 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [1,0,0,0,0,0|2,0,1]=4 627 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [1,0,0,0,0,0|2,0,1]=4 628 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,0,0,0,0,0|3,0,0]=4 629 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,0,0,0,0,0|3,0,0]=4 630 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,1]=4 631 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,1]=4 632 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [1,0,0,0,0,0|2,0,1]=4 633 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [1,0,0,0,0,0|2,0,1]=4 634 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,0,0,0,0,0|2,0,1]=4 635 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,0,0,0,0,0|2,0,1]=4 636 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,0,0,0,0,0|2,0,1]=4 637 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,0,0,0,0,0|2,0,1]=4 638 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [1,0,0,0,0,0|2,0,1]=4 639 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [1,0,0,0,0,0|2,0,1]=4 640 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,0,0,0,0,0|2,0,1]=4 641 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,0,0,0,0,0|2,0,1]=4 642 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [1,0,0,0,0,0|2,0,1]=4 643 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [1,0,0,0,0,0|2,0,1]=4 644 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [1,0,0,0,0,0|2,0,1]=4 645 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [1,0,0,0,0,0|2,0,1]=4 646 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,0,0,0,0,0|2,0,1]=4 647 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,0,0,0,0,0|2,0,1]=4 648 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,0,0,0,0,0|2,0,1]=4 649 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,0,0,0,0,0|2,0,1]=4 650 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,0,0,0,0,0|2,0,1]=4 651 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,0,0,0,0,0|2,0,1]=4 652 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,0,0,0,0,0|2,0,1]=4 653 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,0,0,0,0,0|2,0,1]=4 654 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,0,0,0,0,0|2,0,1]=4 655 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,0,0,0,0,0|2,0,1]=4 656 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,0,0,0,0,0|2,0,1]=4 657 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,0,0,0,0,0|2,0,1]=4 658 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,0,0,0,0,0|2,0,1]=4 659 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,0,0,0,0,0|3,0,0]=4 660 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,0,0,0,0,0|3,0,0]=4 661 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 662 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,0,0,0,0,0|1,0,2]=4 663 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 664 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 665 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|1,0,2]=4 666 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 667 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 668 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 669 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,0,0,0,0,0|1,0,2]=4 670 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,0,0,0,0,0|1,0,2]=4 671 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,0,0,0,0,0|1,0,2]=4 672 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,0,0,0,0,0|1,0,2]=4 673 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,0,0,0,0,0|1,0,2]=4 674 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 675 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|1,0,2]=4 676 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 677 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,0,0,0,0,0|1,0,2]=4 678 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,0,0,0,0,0|1,0,2]=4 679 B9R0.45 C#CCCCCNCC=C 2230a_100000706060_100000210623 [1,0,0,0,0,0|1,0,2]=4 680 B9R0.45 C#CCCCCNCC=C 2230a_100020586998_100010269958 [1,0,0,0,0,0|1,0,2]=4 681 B9R0.45 C#CCCCCNCC=C 34a_100000706060_100015514636 [1,0,0,0,0,0|1,0,2]=4 682 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 683 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 684 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [1,0,0,0,0,0|1,0,2]=4 685 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [1,0,0,0,0,0|1,0,2]=4 686 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [1,0,0,0,0,0|1,0,2]=4 687 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,0,0,0,0,0|1,0,2]=4 688 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 689 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 690 B9R0.45 C#CCCCCSCC=C 62a_100000210623_100010269958 [1,0,0,0,0,0|1,0,2]=4 691 B9R0.45 C#CCCCCSCC=C 62a_100010269958_100000210623 [1,0,0,0,0,0|1,0,2]=4 692 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,0,0,0,0,0|1,0,2]=4 693 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,0,0,0,0,0|1,0,2]=4 694 B9R0.45 C#CCCCNCCC=C 2230a_100015191253_100000731252 [1,0,0,0,0,0|1,0,2]=4 695 B9R0.45 C#CCCCNCCC=C 34a_100000718082_100000754431 [1,0,0,0,0,0|1,0,2]=4 696 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,0,0,0,0,0|1,0,2]=4 697 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,0,0,0,0,0|1,0,2]=4 698 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,0,0,0,0,0|1,0,2]=4 699 B9R0.45 C#CCCCOCCC=C 34a_100000215630_100000754431 [1,0,0,0,0,0|1,0,2]=4 700 B9R0.45 C#CCCCOCCC=C 34a_100011205117_100000695029 [1,0,0,0,0,0|1,0,2]=4 701 B9R0.45 C#CCCCOCCC=C 7a_100000215630_100000754431 [1,0,0,0,0,0|1,0,2]=4 702 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,0,0,0,0,0|1,0,2]=4 703 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,0,0,0,0,0|1,0,2]=4 704 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,0,0,0,0,0|1,0,2]=4 705 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,0,0,0,0,0|1,0,2]=4 706 B9R0.45 C#CCCCSCCC=C 62a_100000754431_100011215417 [1,0,0,0,0,0|1,0,2]=4 707 B9R0.45 C#CCCCSCCC=C 62a_100011215417_100000754431 [1,0,0,0,0,0|1,0,2]=4 708 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,0,0,0,0,0|1,0,2]=4 709 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,0,0,0,0,0|1,0,2]=4 710 B9R0.45 C#CCCNCCCC=C 2230a_100000700776_100000688953 [1,0,0,0,0,0|1,0,2]=4 711 B9R0.45 C#CCCNCCCC=C 34a_100000700776_100000688953 [1,0,0,0,0,0|1,0,2]=4 712 B9R0.45 C#CCCNCCCC=C 34a_100000755551_100000757094 [1,0,0,0,0,0|1,0,2]=4 713 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,0,0,0,0,0|1,0,2]=4 714 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,0,0,0,0,0|1,0,2]=4 715 B9R0.45 C#CCCOCCCC=C 34a_100000758997_100000688953 [1,0,0,0,0,0|1,0,2]=4 716 B9R0.45 C#CCCOCCCC=C 34a_100011215631_100000757094 [1,0,0,0,0,0|1,0,2]=4 717 B9R0.45 C#CCCOCCCC=C 7a_100000758997_100000688953 [1,0,0,0,0,0|1,0,2]=4 718 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 719 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,0,0,0,0,0|1,0,2]=4 720 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 721 B9R0.45 C#CCCSCCCC=C 62a_100000688953_100000757094 [1,0,0,0,0,0|1,0,2]=4 722 B9R0.45 C#CCCSCCCC=C 62a_100011713584_100000688953 [1,0,0,0,0,0|1,0,2]=4 723 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,0,0,0,0,0|1,0,2]=4 724 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,0,0,0,0,0|1,0,2]=4 725 B9R0.45 C#CCNCCCCC=C 2230a_100000703577_100000038162 [1,0,0,0,0,0|1,0,2]=4 726 B9R0.45 C#CCNCCCCC=C 34a_100000212058_100011215482 [1,0,0,0,0,0|1,0,2]=4 727 B9R0.45 C#CCNCCCCC=C 34a_100000703577_100000184674 [1,0,0,0,0,0|1,0,2]=4 728 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,0,0,0,0,0|1,0,2]=4 729 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,0,0,0,0,0|1,0,2]=4 730 B9R0.45 C#CCOCCCCC=C 34a_100000210247_100011215482 [1,0,0,0,0,0|1,0,2]=4 731 B9R0.45 C#CCOCCCCC=C 34a_100000766645_100000184674 [1,0,0,0,0,0|1,0,2]=4 732 B9R0.45 C#CCOCCCCC=C 7a_100000766645_100000038162 [1,0,0,0,0,0|1,0,2]=4 733 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,0,0,0,0,0|1,0,2]=4 734 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,0,0,0,0,0|1,0,2]=4 735 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,0,0,0,0,0|1,0,2]=4 736 B9R0.45 C#CCSCCCCC=C 62a_100000038162_100011215482 [1,0,0,0,0,0|1,0,2]=4 737 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,0,0,0,0,0|1,0,2]=4 738 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|1,0,2]=4 739 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 740 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|1,0,2]=4 741 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 742 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|1,0,2]=4 743 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|1,0,2]=4 744 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [1,0,0,0,0,0|1,0,2]=4 745 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [1,0,0,0,0,0|1,0,2]=4 746 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [1,0,0,0,0,0|1,0,2]=4 747 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [1,0,0,0,0,0|1,0,2]=4 748 B9R0.45 C=CCCC=NNCCC 4a_100000740057_100011216789 [1,0,0,0,0,0|2,0,1]=4 749 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|1,0,0]=2 750 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|1,0,0]=2 751 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|1,0,0]=2 752 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|1,0,0]=2 753 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|1,0,0]=2 754 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|1,0,0]=2 755 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|1,0,0]=2 756 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|1,0,0]=2 757 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|1,0,0]=2 758 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|1,0,0]=2 759 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|1,0,0]=2 760 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|1,0,0]=2 761 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|1,0,0]=2 762 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|1,0,0]=2 763 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|1,0,0]=2 764 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|1,0,0]=2 765 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [1,0,0,0,0,0|2,0,0]=3 766 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [1,0,0,0,0,0|2,0,0]=3 767 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|1,0,0]=2 768 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|1,0,0]=2 769 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [1,0,0,0,0,0|2,0,0]=3 770 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [1,0,0,0,0,0|2,0,0]=3 771 B9R0.45 C=CCCCCNCC#N 2230a_100000703577_100011215382 [1,0,0,0,0,0|2,0,1]=4 772 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [1,0,0,0,0,0|1,0,2]=4 773 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [1,0,0,0,0,0|1,0,2]=4 774 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [1,0,0,0,0,0|1,0,2]=4 775 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [1,0,0,0,0,0|2,0,1]=4 776 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [1,0,0,0,0,0|2,0,1]=4 777 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,0,0,0,0|1,0,0]=2 778 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,0,0,0,0|1,0,0]=2 779 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [1,0,0,0,0,0|2,0,0]=3 780 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [1,0,0,0,0,0|2,0,0]=3 781 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [1,0,0,0,0,0|2,0,0]=3 782 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,0,0,0,0,0|2,0,0]=3 783 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,0,0,0,0,0|2,0,0]=3 784 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,0,0,0,0,0|2,0,0]=3 785 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,0,0,0,0,0|2,0,0]=3 786 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [1,0,0,0,0,0|2,0,0]=3 787 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [1,0,0,0,0,0|2,0,0]=3 788 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [1,0,0,0,0,0|2,0,0]=3 789 B9R0.45 C=CCCCCOCC#N 7a_100000766645_100011215382 [1,0,0,0,0,0|2,0,1]=4 790 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [1,0,0,0,0,0|1,0,2]=4 791 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [1,0,0,0,0,0|1,0,2]=4 792 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [1,0,0,0,0,0|1,0,2]=4 793 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [1,0,0,0,0,0|2,0,1]=4 794 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [1,0,0,0,0,0|2,0,1]=4 795 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [1,0,0,0,0,0|2,0,0]=3 796 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|1,0,0]=2 797 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|1,0,0]=2 798 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|1,0,0]=2 799 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [1,0,0,0,0,0|2,0,0]=3 800 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [1,0,0,0,0,0|2,0,0]=3 801 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [1,0,0,0,0,0|2,0,0]=3 802 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,0,0,0,0,0|2,0,0]=3 803 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,0,0,0,0,0|2,0,0]=3 804 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [1,0,0,0,0,0|2,0,0]=3 805 B9R0.45 C=CCCCCSCC#N 62a_100011215382_100011215482 [1,0,0,0,0,0|2,0,1]=4 806 B9R0.45 C=CCCCCSCC#N 62a_100011215482_100011215382 [1,0,0,0,0,0|2,0,1]=4 807 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [1,0,0,0,0,0|1,0,2]=4 808 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [1,0,0,0,0,0|1,0,2]=4 809 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [1,0,0,0,0,0|2,0,1]=4 810 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [1,0,0,0,0,0|2,0,1]=4 811 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,0,0,0,0|1,0,0]=2 812 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,0,0,0,0|1,0,0]=2 813 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [1,0,0,0,0,0|2,0,0]=3 814 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [1,0,0,0,0,0|2,0,0]=3 815 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,0,0,0,0,0|2,0,0]=3 816 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,0,0,0,0,0|2,0,0]=3 817 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [1,0,0,0,0,0|2,0,0]=3 818 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [1,0,0,0,0,0|2,0,0]=3 819 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [1,0,0,0,0,0|2,0,0]=3 820 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [1,0,0,0,0,0|2,0,0]=3 821 B9R0.45 C=CCCCNC/C=C/C 34a_100000700776_100102629194 [1,0,0,0,0,0|1,0,2]=4 822 B9R0.45 C=CCCCNCC#CC 2230a_100000685387_100011713584 [1,0,0,0,0,0|1,0,2]=4 823 B9R0.45 C=CCCCNCC#CC 2230a_100000700776_100000748600 [1,0,0,0,0,0|1,0,2]=4 824 B9R0.45 C=CCCCNCC#CC 34a_100000685387_100000757094 [1,0,0,0,0,0|1,0,2]=4 825 B9R0.45 C=CCCCNCC#CC 34a_100000700776_100000748600 [1,0,0,0,0,0|1,0,2]=4 826 B9R0.45 C=CCCCNCC=CC 2230a_100000700776_100000070051 [1,0,0,0,0,0|1,0,2]=4 827 B9R0.45 C=CCCCNCC=CC 34a_100000700776_100000070051 [1,0,0,0,0,0|1,0,2]=4 828 B9R0.45 C=CCCCNCCC#N 2230a_100000700776_100011215226 [1,0,0,0,0,0|2,0,1]=4 829 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [1,0,0,0,0,0|1,0,2]=4 830 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [1,0,0,0,0,0|1,0,2]=4 831 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [1,0,0,0,0,0|1,0,2]=4 832 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,0,0,0,0|1,0,0]=2 833 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,0,0,0,0|1,0,0]=2 834 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,0,0,0,0|1,0,0]=2 835 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,0,0,0,0|1,0,0]=2 836 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [1,0,0,0,0,0|2,0,0]=3 837 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [1,0,0,0,0,0|2,0,0]=3 838 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [1,0,0,0,0,0|2,0,0]=3 839 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [1,0,0,0,0,0|2,0,0]=3 840 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,0,0,0,0,0|2,0,0]=3 841 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,0,0,0,0,0|2,0,0]=3 842 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [1,0,0,0,0,0|2,0,0]=3 843 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [1,0,0,0,0,0|2,0,0]=3 844 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [1,0,0,0,0,0|2,0,0]=3 845 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [1,0,0,0,0,0|2,0,0]=3 846 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [1,0,0,0,0,0|2,0,0]=3 847 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [1,0,0,0,0,0|2,0,0]=3 848 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [1,0,0,0,0,0|1,0,2]=4 849 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [1,0,0,0,0,0|1,0,2]=4 850 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [1,0,0,0,0,0|1,0,2]=4 851 B9R0.45 C=CCCCOCC#CC 34a_100000758997_100000748600 [1,0,0,0,0,0|1,0,2]=4 852 B9R0.45 C=CCCCOCC#CC 34a_100000761923_100000757094 [1,0,0,0,0,0|1,0,2]=4 853 B9R0.45 C=CCCCOCC#CC 7a_100000758997_100000748600 [1,0,0,0,0,0|1,0,2]=4 854 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [1,0,0,0,0,0|1,0,2]=4 855 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [1,0,0,0,0,0|1,0,2]=4 856 B9R0.45 C=CCCCOCCC#N 7a_100000758997_100000184422 [1,0,0,0,0,0|2,0,1]=4 857 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [1,0,0,0,0,0|1,0,2]=4 858 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [1,0,0,0,0,0|1,0,2]=4 859 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [1,0,0,0,0,0|1,0,2]=4 860 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [1,0,0,0,0,0|2,0,0]=3 861 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|1,0,0]=2 862 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|1,0,0]=2 863 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|1,0,0]=2 864 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|1,0,0]=2 865 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [1,0,0,0,0,0|2,0,0]=3 866 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [1,0,0,0,0,0|2,0,0]=3 867 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [1,0,0,0,0,0|2,0,0]=3 868 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [1,0,0,0,0,0|2,0,0]=3 869 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [1,0,0,0,0,0|2,0,0]=3 870 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,0,0,0,0,0|2,0,0]=3 871 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,0,0,0,0,0|2,0,0]=3 872 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [1,0,0,0,0,0|2,0,0]=3 873 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [1,0,0,0,0,0|2,0,0]=3 874 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [1,0,0,0,0,0|2,0,0]=3 875 B9R0.45 C=CCCCOCCON 34a_100000700252_100000757094 [1,0,0,0,0,0|3,0,0]=4 876 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [1,0,0,0,0,0|2,0,0]=3 877 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [1,0,0,0,0,0|2,0,0]=3 878 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [1,0,0,0,0,0|2,0,0]=3 879 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [1,0,0,0,0,0|2,0,0]=3 880 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [1,0,0,0,0,0|1,0,2]=4 881 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [1,0,0,0,0,0|1,0,2]=4 882 B9R0.45 C=CCCCSCC#CC 62a_100000748600_100000757094 [1,0,0,0,0,0|1,0,2]=4 883 B9R0.45 C=CCCCSCC#CC 62a_100011713584_100000748600 [1,0,0,0,0,0|1,0,2]=4 884 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [1,0,0,0,0,0|1,0,2]=4 885 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [1,0,0,0,0,0|1,0,2]=4 886 B9R0.45 C=CCCCSCCC#N 62a_100011215226_100000757094 [1,0,0,0,0,0|2,0,1]=4 887 B9R0.45 C=CCCCSCCC#N 62a_100011713584_100011215226 [1,0,0,0,0,0|2,0,1]=4 888 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [1,0,0,0,0,0|1,0,2]=4 889 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [1,0,0,0,0,0|1,0,2]=4 890 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,0,0,0,0|1,0,0]=2 891 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,0,0,0,0|1,0,0]=2 892 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [1,0,0,0,0,0|2,0,0]=3 893 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [1,0,0,0,0,0|2,0,0]=3 894 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,0,0,0,0,0|2,0,0]=3 895 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,0,0,0,0,0|2,0,0]=3 896 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [1,0,0,0,0,0|2,0,0]=3 897 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [1,0,0,0,0,0|2,0,0]=3 898 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [1,0,0,0,0,0|2,0,0]=3 899 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [1,0,0,0,0,0|2,0,0]=3 900 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [1,0,0,0,0,0|2,0,0]=3 901 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [1,0,0,0,0,0|2,0,0]=3 902 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [1,0,0,0,0,0|1,0,2]=4 903 B9R0.45 C=CCCNCC#CCC 2230a_100015191253_100009813939 [1,0,0,0,0,0|1,0,2]=4 904 B9R0.45 C=CCCNCCCC#N 2230a_100015191253_100000687738 [1,0,0,0,0,0|2,0,1]=4 905 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [1,0,0,0,0,0|2,0,1]=4 906 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|1,0,0]=2 907 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|1,0,0]=2 908 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [1,0,0,0,0,0|2,0,0]=3 909 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,0,0,0,0,0|2,0,0]=3 910 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,0,0,0,0,0|2,0,0]=3 911 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,0,0,0,0,0|2,0,0]=3 912 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [1,0,0,0,0,0|2,0,0]=3 913 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [1,0,0,0,0,0|2,0,0]=3 914 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [1,0,0,0,0,0|2,0,0]=3 915 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [1,0,0,0,0,0|2,0,0]=3 916 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [1,0,0,0,0,0|2,0,0]=3 917 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [1,0,0,0,0,0|2,0,0]=3 918 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [1,0,0,0,0,0|2,0,0]=3 919 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [1,0,0,0,0,0|2,0,0]=3 920 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [1,0,0,0,0,0|1,0,2]=4 921 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [1,0,0,0,0,0|1,0,2]=4 922 B9R0.45 C=CCCOCC#CCC 34a_100000032950_100000754431 [1,0,0,0,0,0|1,0,2]=4 923 B9R0.45 C=CCCOCC#CCC 34a_100011205117_100009813939 [1,0,0,0,0,0|1,0,2]=4 924 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [1,0,0,0,0,0|1,0,2]=4 925 B9R0.45 C=CCCOCCC#CC 34a_100000750427_100000754431 [1,0,0,0,0,0|1,0,2]=4 926 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [1,0,0,0,0,0|2,0,0]=3 927 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|1,0,0]=2 928 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|1,0,0]=2 929 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|1,0,0]=2 930 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [1,0,0,0,0,0|2,0,0]=3 931 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [1,0,0,0,0,0|2,0,0]=3 932 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [1,0,0,0,0,0|2,0,0]=3 933 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [1,0,0,0,0,0|2,0,0]=3 934 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [1,0,0,0,0,0|2,0,0]=3 935 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [1,0,0,0,0,0|2,0,0]=3 936 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [1,0,0,0,0,0|2,0,0]=3 937 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,0,0,0,0,0|2,0,0]=3 938 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [1,0,0,0,0,0|2,0,0]=3 939 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [1,0,0,0,0,0|2,0,0]=3 940 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [1,0,0,0,0,0|2,0,0]=3 941 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [1,0,0,0,0,0|2,0,0]=3 942 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [1,0,0,0,0,0|2,0,0]=3 943 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [1,0,0,0,0,0|2,0,0]=3 944 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [1,0,0,0,0,0|2,0,0]=3 946 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [1,0,0,0,0,0|2,0,0]=3 947 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [1,0,0,0,0,0|2,0,0]=3 948 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [1,0,0,0,0,0|2,0,0]=3 949 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [1,0,0,0,0,0|1,0,2]=4 950 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [1,0,0,0,0,0|1,0,2]=4 951 B9R0.45 C=CCCSCC#CCC 62a_100000754431_100009813939 [1,0,0,0,0,0|1,0,2]=4 952 B9R0.45 C=CCCSCC#CCC 62a_100009813939_100000754431 [1,0,0,0,0,0|1,0,2]=4 953 B9R0.45 C=CCCSCCCC#N 62a_100000687738_100000754431 [1,0,0,0,0,0|2,0,1]=4 954 B9R0.45 C=CCCSCCCC#N 62a_100000754431_100000687738 [1,0,0,0,0,0|2,0,1]=4 955 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [1,0,0,0,0,0|2,0,1]=4 956 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [1,0,0,0,0,0|2,0,1]=4 957 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|1,0,0]=2 958 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|1,0,0]=2 959 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [1,0,0,0,0,0|2,0,0]=3 960 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [1,0,0,0,0,0|2,0,0]=3 961 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,0,0,0,0,0|2,0,0]=3 962 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,0,0,0,0,0|2,0,0]=3 963 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [1,0,0,0,0,0|2,0,0]=3 964 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [1,0,0,0,0,0|2,0,0]=3 965 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [1,0,0,0,0,0|2,0,0]=3 966 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [1,0,0,0,0,0|2,0,0]=3 967 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [1,0,0,0,0,0|2,0,0]=3 968 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [1,0,0,0,0,0|2,0,0]=3 969 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [1,0,0,0,0,0|1,0,2]=4 970 B9R0.45 C=CCNCCCCC#N 2230a_100020586998_100000211819 [1,0,0,0,0,0|2,0,1]=4 971 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [1,0,0,0,0,0|2,0,1]=4 972 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|1,0,0]=2 973 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|1,0,0]=2 974 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [1,0,0,0,0,0|2,0,0]=3 975 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,0,0,0,0,0|2,0,0]=3 976 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,0,0,0,0,0|2,0,0]=3 977 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,0,0,0,0,0|2,0,0]=3 978 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [1,0,0,0,0,0|2,0,0]=3 979 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [1,0,0,0,0,0|2,0,0]=3 980 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [1,0,0,0,0,0|2,0,0]=3 981 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [1,0,0,0,0,0|2,0,0]=3 982 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [1,0,0,0,0,0|2,0,0]=3 983 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [1,0,0,0,0,0|2,0,0]=3 984 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [1,0,0,0,0,0|2,0,0]=3 985 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [1,0,0,0,0,0|3,0,0]=4 986 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [1,0,0,0,0,0|3,0,0]=4 987 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [1,0,0,0,0,0|3,0,0]=4 988 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [1,0,0,0,0,0|2,0,0]=3 989 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [1,0,0,0,0,0|3,0,0]=4 990 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [1,0,0,0,0,0|2,0,0]=3 991 B9R0.45 C=CCNCOCCOC 2230a_100020586998_100000231047 [1,0,0,0,0,0|3,0,0]=4 992 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [1,0,0,0,0,0|1,0,2]=4 993 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [1,0,0,0,0,0|1,0,2]=4 994 B9R0.45 C=CCOCC#CCCC 34a_100000034806_100015514636 [1,0,0,0,0,0|1,0,2]=4 995 B9R0.45 C=CCOCC#CCCC 7a_100000034806_100015514636 [1,0,0,0,0,0|1,0,2]=4 996 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [1,0,0,0,0,0|1,0,2]=4 997 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [1,0,0,0,0,0|1,0,2]=4 998 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [1,0,0,0,0,0|1,0,2]=4 999 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [1,0,0,0,0,0|1,0,2]=4 1000 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [1,0,0,0,0,0|1,0,2]=4 1001 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [1,0,0,0,0,0|1,0,2]=4 1002 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [1,0,0,0,0,0|2,0,0]=3 1003 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [1,0,0,0,0,0|2,0,0]=3 1004 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|1,0,0]=2 1005 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|1,0,0]=2 1006 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|1,0,0]=2 1007 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [1,0,0,0,0,0|2,0,0]=3 1008 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [1,0,0,0,0,0|2,0,0]=3 1009 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [1,0,0,0,0,0|2,0,0]=3 1010 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [1,0,0,0,0,0|2,0,0]=3 1011 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [1,0,0,0,0,0|2,0,0]=3 1012 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [1,0,0,0,0,0|2,0,0]=3 1013 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,0,0,0,0,0|2,0,0]=3 1014 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [1,0,0,0,0,0|2,0,0]=3 1015 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [1,0,0,0,0,0|2,0,0]=3 1016 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [1,0,0,0,0,0|2,0,0]=3 1017 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [1,0,0,0,0,0|2,0,0]=3 1018 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [1,0,0,0,0,0|2,0,0]=3 1019 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [1,0,0,0,0,0|2,0,0]=3 1020 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [1,0,0,0,0,0|2,0,0]=3 1021 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [1,0,0,0,0,0|2,0,0]=3 1022 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [1,0,0,0,0,0|2,0,0]=3 1023 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [1,0,0,0,0,0|3,0,0]=4 1024 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [1,0,0,0,0,0|3,0,0]=4 1025 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [1,0,0,0,0,0|2,0,0]=3 1026 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [1,0,0,0,0,0|2,0,0]=3 1027 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [1,0,0,0,0,0|2,0,0]=3 1028 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [1,0,0,0,0,0|2,0,0]=3 1029 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [1,0,0,0,0,0|2,0,0]=3 1030 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [1,0,0,0,0,0|3,0,0]=4 1031 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [1,0,0,0,0,0|3,0,0]=4 1032 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [1,0,0,0,0,0|3,0,0]=4 1033 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [1,0,0,0,0,0|3,0,0]=4 1034 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [1,0,0,0,0,0|3,0,0]=4 1035 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [1,0,0,0,0,0|3,0,0]=4 1036 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [1,0,0,0,0,0|3,0,0]=4 1037 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [1,0,0,0,0,0|3,0,0]=4 1038 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [1,0,0,0,0,0|3,0,0]=4 1039 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [1,0,0,0,0,0|3,0,0]=4 1040 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [1,0,0,0,0,0|3,0,0]=4 1041 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [1,0,0,0,0,0|3,0,0]=4 1042 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [1,0,0,0,0,0|3,0,0]=4 1043 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [1,0,0,0,0,0|2,0,0]=3 1044 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [1,0,0,0,0,0|2,0,0]=3 1045 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [1,0,0,0,0,0|2,0,0]=3 1046 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [1,0,0,0,0,0|1,0,2]=4 1047 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [1,0,0,0,0,0|1,0,2]=4 1048 B9R0.45 C=CCSCCCCC#N 62a_100000210623_100000211819 [1,0,0,0,0,0|2,0,1]=4 1049 B9R0.45 C=CCSCCCCC#N 62a_100011219923_100000210623 [1,0,0,0,0,0|2,0,1]=4 1050 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [1,0,0,0,0,0|2,0,1]=4 1051 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [1,0,0,0,0,0|2,0,1]=4 1052 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|1,0,0]=2 1053 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|1,0,0]=2 1054 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [1,0,0,0,0,0|2,0,0]=3 1055 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [1,0,0,0,0,0|2,0,0]=3 1056 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,0,0,0,0,0|2,0,0]=3 1057 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,0,0,0,0,0|2,0,0]=3 1058 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [1,0,0,0,0,0|2,0,0]=3 1059 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [1,0,0,0,0,0|2,0,0]=3 1060 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [1,0,0,0,0,0|2,0,0]=3 1061 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [1,0,0,0,0,0|2,0,0]=3 1062 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [1,0,0,0,0,0|2,0,0]=3 1063 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [1,0,0,0,0,0|2,0,0]=3 1064 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [1,0,0,0,0,0|3,0,0]=4 1065 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [1,0,0,0,0,0|3,0,0]=4 1066 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [1,0,0,0,0,0|2,0,0]=3 1067 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [1,0,0,0,0,0|2,0,0]=3 1068 B9R0.45 C=CCSCOCCOC 62a_100000210623_100000231047 [1,0,0,0,0,0|3,0,0]=4 1069 B9R0.45 C=CCSCOCCOC 62a_100000231047_100000210623 [1,0,0,0,0,0|3,0,0]=4 1070 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [1,0,0,0,0,0|2,0,0]=3 1071 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [1,0,0,0,0,0|2,0,0]=3 1072 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [1,0,0,0,0,0|3,0,0]=4 1073 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [1,0,0,0,0,0|3,0,0]=4 1074 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [1,0,0,0,0,0|2,0,0]=3 1075 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [1,0,0,0,0,0|2,0,0]=3 1076 B9R0.45 C=COCCCNCCF 2230a_100000210767_100011217306 [1,0,0,0,0,0|3,0,0]=4 1077 B9R0.45 C=COCCCNCCF 34a_100000210767_100011217306 [1,0,0,0,0,0|3,0,0]=4 1078 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [1,0,0,0,0,0|3,0,0]=4 1079 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [1,0,0,0,0,0|3,0,0]=4 1080 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [1,0,0,0,0,0|3,0,0]=4 1081 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [1,0,0,0,0,0|3,0,0]=4 1082 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [1,0,0,0,0,0|3,0,0]=4 1083 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [1,0,0,0,0,0|2,0,0]=3 1084 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [1,0,0,0,0,0|2,0,0]=3 1085 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [1,0,0,0,0,0|3,0,0]=4 1086 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [1,0,0,0,0,0|3,0,0]=4 1087 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [1,0,0,0,0,0|3,0,0]=4 1088 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [1,0,0,0,0,0|3,0,0]=4 1089 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [1,0,0,0,0,0|3,0,0]=4 1090 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [1,0,0,0,0,0|2,0,0]=3 1091 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [1,0,0,0,0,0|2,0,0]=3 1092 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [1,0,0,0,0,0|2,0,0]=3 1093 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [1,0,0,0,0,0|3,0,0]=4 1094 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [1,0,0,0,0,0|3,0,0]=4 1095 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [1,0,0,0,0,0|3,0,0]=4 1096 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [1,0,0,0,0,0|3,0,0]=4 1097 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [1,0,0,0,0,0|3,0,0]=4 1098 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [1,0,0,0,0,0|3,0,0]=4 1099 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [1,0,0,0,0,0|3,0,0]=4 1100 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [1,0,0,0,0,0|3,0,0]=4 1101 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [1,0,0,0,0,0|3,0,0]=4 1102 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [1,0,0,0,0,0|3,0,0]=4 1103 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [1,0,0,0,0,0|3,0,0]=4 1104 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [1,0,0,0,0,0|3,0,0]=4 1105 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [1,0,0,0,0,0|3,0,0]=4 1106 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [1,0,0,0,0,0|3,0,0]=4 1107 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [1,0,0,0,0,0|2,0,0]=3 1108 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [1,0,0,0,0,0|2,0,0]=3 1109 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [1,0,0,0,0,0|3,0,0]=4 1110 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [1,0,0,0,0,0|3,0,0]=4 1111 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [1,0,0,0,0,0|3,0,0]=4 1112 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [1,0,0,0,0,0|3,0,0]=4 1113 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [1,0,0,0,0,0|3,0,0]=4 1114 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [1,0,0,0,0,0|3,0,0]=4 1115 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [1,0,0,0,0,0|3,0,0]=4 1116 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [1,0,0,0,0,0|3,0,0]=4 1117 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [1,0,0,0,0,0|3,0,0]=4 1118 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|1,0,2]=4 1120 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|1,0,2]=4 1121 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 1122 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 1123 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|1,0,2]=4 1124 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|1,0,2]=4 1125 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1126 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1127 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1128 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,1]=3 1129 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1130 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1131 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1132 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,0,1]=3 1133 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,0,1]=3 1134 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,0,1]=3 1135 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,0,1]=3 1136 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,0,1]=3 1137 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,1]=3 1138 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,1]=3 1139 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,1]=3 1140 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,1]=3 1141 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,2]=4 1142 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,2]=4 1143 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|1,0,2]=4 1144 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|1,0,2]=4 1145 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|1,0,2]=4 1146 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|2,0,1]=4 1147 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|2,0,1]=4 1148 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|1,0,2]=4 1149 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|1,0,2]=4 1150 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|2,0,1]=4 1151 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|2,0,1]=4 1152 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,0,0,0,0,0|2,0,1]=4 1153 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|2,0,0]=3 1154 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|1,0,2]=4 1155 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|2,0,1]=4 1156 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|2,0,1]=4 1157 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|2,0,1]=4 1158 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|2,0,1]=4 1159 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|2,0,1]=4 1160 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,0,0,0,0,0|2,0,1]=4 1163 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|2,0,0]=3 1164 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|2,0,0]=3 1165 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|2,0,1]=4 1166 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|1,0,2]=4 1167 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|1,0,2]=4 1168 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|1,0,2]=4 1169 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|2,0,1]=4 1170 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|2,0,1]=4 1171 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|2,0,1]=4 1172 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|2,0,1]=4 1173 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|2,0,1]=4 1174 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,1]=4 1175 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,0,0,0,0,0|2,0,1]=4 1176 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,0,0,0,0,0|2,0,1]=4 1177 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|2,0,0]=3 1178 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|2,0,0]=3 1179 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|1,0,2]=4 1180 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|1,0,2]=4 1181 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|2,0,1]=4 1182 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|2,0,1]=4 1183 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|2,0,1]=4 1184 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|2,0,1]=4 1185 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|2,0,1]=4 1186 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|2,0,1]=4 1187 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,1]=4 1188 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,1]=4 1189 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,0,0,0,0,0|2,0,1]=4 1190 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|1,0,2]=4 1191 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|1,0,2]=4 1192 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|1,0,2]=4 1193 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|2,0,1]=4 1194 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|2,0,1]=4 1195 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|2,0,1]=4 1196 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|2,0,1]=4 1197 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|2,0,1]=4 1199 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|2,0,1]=4 1200 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|2,0,1]=4 1201 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,1]=4 1202 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,1]=4 1203 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,0,0,0,0,0|2,0,1]=4 1204 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|2,0,1]=4 1205 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|1,0,2]=4 1206 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|1,0,2]=4 1207 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|1,0,2]=4 1208 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|1,0,2]=4 1209 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|2,0,1]=4 1210 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|2,0,1]=4 1211 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|2,0,1]=4 1212 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|2,0,1]=4 1213 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|2,0,1]=4 1214 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|2,0,1]=4 1215 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|2,0,1]=4 1216 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|2,0,1]=4 1217 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|2,0,1]=4 1218 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|2,0,1]=4 1219 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|2,0,1]=4 1220 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|2,0,1]=4 1221 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|2,0,1]=4 1223 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|2,0,1]=4 1224 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 1225 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|2,0,1]=4 1226 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 1227 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|2,0,1]=4 1228 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,0,0,0,0,0|2,0,1]=4 1229 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,0,0,0,0,0|2,0,1]=4 1230 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|1,0,2]=4 1231 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|1,0,2]=4 1232 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|2,0,1]=4 1233 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|2,0,1]=4 1234 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|2,0,1]=4 1235 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|2,0,1]=4 1236 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|2,0,1]=4 1237 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|2,0,1]=4 1238 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|2,0,1]=4 1239 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|2,0,1]=4 1240 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,0,0,0,0,0|2,0,1]=4 1241 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,0,0,0,0,0|2,0,1]=4 1242 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|2,0,0]=3 1243 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|2,0,0]=3 1244 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|2,0,1]=4 1245 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|2,0,1]=4 1246 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|2,0,1]=4 1247 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|2,0,1]=4 1248 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,1]=4 1249 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|2,0,1]=4 1250 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|2,0,1]=4 1251 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|2,0,1]=4 1252 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|2,0,1]=4 1253 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,1]=4 1254 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,0,0,0,0,0|2,0,1]=4 1255 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|2,0,0]=3 1256 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|2,0,1]=4 1257 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|2,0,1]=4 1258 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|2,0,1]=4 1259 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|2,0,1]=4 1260 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|2,0,1]=4 1261 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|2,0,1]=4 1262 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|2,0,1]=4 1263 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|2,0,1]=4 1264 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,1]=4 1265 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|2,0,1]=4 1266 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|2,0,1]=4 1267 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1268 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|2,0,1]=4 1269 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1270 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1271 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1272 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|2,0,1]=4 1273 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|2,0,1]=4 1274 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|2,0,1]=4 1275 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|2,0,1]=4 1276 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|2,0,1]=4 1277 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|2,0,1]=4 1278 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|2,0,1]=4 1279 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|2,0,1]=4 1280 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|2,0,1]=4 1281 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,0,0,0,0,0|3,0,0]=4 1282 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,0,0,0,0,0|3,0,0]=4 1283 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,0,0,0,0,0|2,0,1]=4 1284 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,0,0,0,0,0|2,0,1]=4 1285 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|2,0,0]=3 1286 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|2,0,0]=3 1287 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|2,0,1]=4 1288 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|2,0,1]=4 1289 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|2,0,1]=4 1290 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|2,0,1]=4 1291 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|2,0,1]=4 1292 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|2,0,1]=4 1293 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 1294 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 1295 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|2,0,1]=4 1296 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|2,0,1]=4 1297 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 1298 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 1299 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|2,0,1]=4 1300 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|2,0,1]=4 1301 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|2,0,1]=4 1302 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 1303 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|2,0,1]=4 1304 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|2,0,1]=4 1305 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|2,0,1]=4 1306 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 1307 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 1308 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,0,0,0,0,0|3,0,0]=4 1309 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,0,0,0,0,0|3,0,0]=4 1310 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,0,0,0,0|3,0,0]=4 1311 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,0,0,0,0|3,0,0]=4 1312 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,0,0,0,0,0|3,0,0]=4 1313 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,0,0,0,0,0|3,0,0]=4 1314 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,0,0,0,0,0|2,0,1]=4 1315 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,0,0,0,0,0|2,0,1]=4 1316 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|2,0,0]=3 1317 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|2,0,0]=3 1318 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|2,0,1]=4 1319 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|2,0,1]=4 1320 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|2,0,1]=4 1321 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 1322 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|2,0,1]=4 1323 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|2,0,1]=4 1324 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,0,0,0,0,0|3,0,0]=4 1325 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,0,0,0,0,0|2,0,1]=4 1328 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|2,0,0]=3 1329 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,1]=4 1330 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 1331 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|2,0,1]=4 1332 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 1333 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 1334 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 1335 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|2,0,1]=4 1336 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|2,0,1]=4 1337 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|2,0,1]=4 1338 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|2,0,1]=4 1339 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|2,0,1]=4 1340 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|2,0,1]=4 1341 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|2,0,1]=4 1342 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 1343 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|2,0,1]=4 1344 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|2,0,1]=4 1345 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,0,0,0,0,0|3,0,0]=4 1350 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,0,0,0,0,0|3,0,0]=4 1351 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [1,0,0,0,0,0|3,0,0]=4 1352 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [1,0,0,0,0,0|3,0,0]=4 1353 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,0,0,0,0,0|2,0,1]=4 1354 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,0,0,0,0,0|2,0,1]=4 1355 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|2,0,0]=3 1356 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|2,0,0]=3 1357 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|2,0,1]=4 1358 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|2,0,1]=4 1359 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|2,0,1]=4 1360 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|2,0,1]=4 1361 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 1364 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 1365 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 1366 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 1367 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 1368 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|2,0,1]=4 1369 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 1370 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 1371 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|2,0,1]=4 1372 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 1373 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 1374 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 1375 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 1376 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|2,0,1]=4 1377 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|2,0,1]=4 1378 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|2,0,1]=4 1379 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|2,0,1]=4 1380 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|2,0,1]=4 1381 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|2,0,1]=4 1382 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|2,0,1]=4 1383 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|2,0,1]=4 1384 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|2,0,1]=4 1385 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|2,0,1]=4 1386 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,0,0,0,0|3,0,0]=4 1387 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,0,0,0,0,0|3,0,0]=4 1388 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,0,0,0,0,0|3,0,0]=4 1389 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [1,0,0,0,0,0|3,0,0]=4 1390 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [1,0,0,0,0,0|3,0,0]=4 1391 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [1,0,0,0,0,0|3,0,0]=4 1392 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [1,0,0,0,0,0|3,0,0]=4 1393 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [1,0,0,0,0,0|3,0,0]=4 1394 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,0,0,0,0,0|2,0,1]=4 1395 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,0,0,0,0,0|2,0,1]=4 1396 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 1397 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|2,0,1]=4 1398 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|3,0,0]=4 1399 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|3,0,0]=4 1400 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,0,0,0,0,0|3,0,0]=4 1401 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,0,0,0,0,0|3,0,0]=4 1402 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,0,0,0,0,0|3,0,0]=4 1403 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,0,0,0,0,0|3,0,0]=4 1404 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,0,0,0,0,0|3,0,0]=4 1405 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,0,0,0,0,0|3,0,0]=4 1406 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|3,0,0]=4 1407 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [1,0,0,0,0,0|3,0,0]=4 1408 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [1,0,0,0,0,0|3,0,0]=4 1409 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,0,0,0,0,0|3,0,0]=4 1410 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [1,0,0,0,0,0|3,0,0]=4 1411 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [1,0,0,0,0,0|3,0,0]=4 1412 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,0,0,0,0,0|3,0,0]=4 1413 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,0,0,0,0,0|3,0,0]=4 1414 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [1,0,0,0,0,0|3,0,0]=4 1415 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [1,0,0,0,0,0|3,0,0]=4 1416 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [1,0,0,0,0,0|3,0,0]=4 1417 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,0,0,0,0,0|3,0,0]=4 1418 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,0,0,0,0,0|3,0,0]=4 1419 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,0,0,0,0|3,0,0]=4 1420 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,0,0,0,0|3,0,0]=4 1421 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,0,0,0,0|3,0,0]=4 1422 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,0,0,0,0|3,0,0]=4 1423 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,0,0,0,0|3,0,0]=4 1424 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,0,0,0,0|3,0,0]=4 1425 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,0,0,0,0|3,0,0]=4 1426 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,0,0,0,0|3,0,0]=4 1427 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,0,0,0,0,0|3,0,0]=4 1428 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,0,0,0,0,0|3,0,0]=4 1429 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,0,0,0,0|3,0,0]=4 1430 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,0,0,0,0|3,0,0]=4 1431 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 1432 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 1433 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 1434 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 1435 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 1436 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,0,0,0,0,0|2,0,1]=4 1437 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,0,0,0,0,0|2,0,1]=4 1438 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 1439 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|2,0,1]=4 1440 B9R0.46 C#CCCNCC(O)C=C 34a_100000755551_100000730141 [1,0,0,0,0,0|1,0,2]=4 1441 B9R0.46 C#CCCOCC(O)C=C 34a_100011215631_100000730141 [1,0,0,0,0,0|1,0,2]=4 1442 B9R0.46 C#CCCSCC(O)C=C 62a_100000688953_100000730141 [1,0,0,0,0,0|1,0,2]=4 1443 B9R0.46 C#CCCSCC(O)C=C 62a_100000730141_100000688953 [1,0,0,0,0,0|1,0,2]=4 1444 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,0,0,0,0,0|0,0,2]=3 1445 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [1,0,0,0,0,0|1,0,2]=4 1446 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,0,0,0,0,0|1,0,2]=4 1447 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [1,0,0,0,0,0|1,0,2]=4 1448 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [1,0,0,0,0,0|1,0,2]=4 1449 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [1,0,0,0,0,0|1,0,2]=4 1450 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [1,0,0,0,0,0|1,0,2]=4 1451 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,0,0,0,0,0|1,0,2]=4 1452 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,0,0,0,0,0|1,0,2]=4 1453 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [1,0,0,0,0,0|2,0,0]=3 1454 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [1,0,0,0,0,0|2,0,0]=3 1455 B9R0.46 C=CC(C)COCCCF 34a_100011215527_100011934791 [1,0,0,0,0,0|3,0,0]=4 1456 B9R0.46 C=CC(C)COCCCF 7a_100011215527_100011934791 [1,0,0,0,0,0|3,0,0]=4 1457 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [1,0,0,0,0,0|3,0,0]=4 1458 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [1,0,0,0,0,0|3,0,0]=4 1459 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [1,0,0,0,0,0|3,0,0]=4 1460 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [1,0,0,0,0,0|3,0,0]=4 1461 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [1,0,0,0,0,0|3,0,0]=4 1462 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [1,0,0,0,0,0|3,0,0]=4 1463 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [1,0,0,0,0,0|2,0,0]=3 1464 B9R0.46 C=CC(C)OCCCCF 34a_100000695699_100000729493 [1,0,0,0,0,0|3,0,0]=4 1465 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [1,0,0,0,0,0|3,0,0]=4 1466 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [1,0,0,0,0,0|3,0,0]=4 1467 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [1,0,0,0,0,0|3,0,0]=4 1468 B9R0.46 C=CC(C)OCCSCC 34a_100000695699_100000757381 [1,0,0,0,0,0|3,0,0]=4 1469 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [1,0,0,0,0,0|2,0,0]=3 1470 B9R0.46 C=CC(C)SCCCCF 62a_100011215867_100000729493 [1,0,0,0,0,0|3,0,0]=4 1471 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [1,0,0,0,0,0|3,0,0]=4 1472 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [1,0,0,0,0,0|3,0,0]=4 1473 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [1,0,0,0,0,0|3,0,0]=4 1474 B9R0.46 C=CC(C)SCCSCC 62a_100011215867_100000757381 [1,0,0,0,0,0|3,0,0]=4 1475 B9R0.46 C=CC(O)CNCC#CC 2230a_100000685387_100000730141 [1,0,0,0,0,0|1,0,2]=4 1476 B9R0.46 C=CC(O)CNCC#CC 34a_100000685387_100000730141 [1,0,0,0,0,0|1,0,2]=4 1477 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [1,0,0,0,0,0|1,0,0]=2 1478 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [1,0,0,0,0,0|1,0,0]=2 1479 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [1,0,0,0,0,0|2,0,0]=3 1480 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [1,0,0,0,0,0|2,0,0]=3 1481 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [1,0,0,0,0,0|2,0,0]=3 1482 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [1,0,0,0,0,0|2,0,0]=3 1483 B9R0.46 C=CC(O)COC/C=C/C 34a_100016270725_100000730141 [1,0,0,0,0,0|1,0,2]=4 1484 B9R0.46 C=CC(O)COCC#CC 34a_100000761923_100000730141 [1,0,0,0,0,0|1,0,2]=4 1485 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [1,0,0,0,0,0|2,0,0]=3 1486 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,0,0,0,0,0|1,0,0]=2 1487 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,0,0,0,0,0|1,0,0]=2 1488 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [1,0,0,0,0,0|2,0,0]=3 1489 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [1,0,0,0,0,0|2,0,0]=3 1490 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [1,0,0,0,0,0|2,0,0]=3 1491 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [1,0,0,0,0,0|2,0,0]=3 1492 B9R0.46 C=CC(O)COCCON 34a_100000700252_100000730141 [1,0,0,0,0,0|3,0,0]=4 1493 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [1,0,0,0,0,0|2,0,0]=3 1494 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [1,0,0,0,0,0|2,0,0]=3 1495 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [1,0,0,0,0,0|1,0,2]=4 1496 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [1,0,0,0,0,0|1,0,2]=4 1497 B9R0.46 C=CC(O)CSCC#CC 62a_100000730141_100000748600 [1,0,0,0,0,0|1,0,2]=4 1498 B9R0.46 C=CC(O)CSCC#CC 62a_100000748600_100000730141 [1,0,0,0,0,0|1,0,2]=4 1499 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [1,0,0,0,0,0|1,0,2]=4 1500 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [1,0,0,0,0,0|1,0,2]=4 1501 B9R0.46 C=CC(O)CSCCC#N 62a_100000730141_100011215226 [1,0,0,0,0,0|2,0,1]=4 1502 B9R0.46 C=CC(O)CSCCC#N 62a_100011215226_100000730141 [1,0,0,0,0,0|2,0,1]=4 1503 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [1,0,0,0,0,0|1,0,0]=2 1504 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [1,0,0,0,0,0|1,0,0]=2 1505 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [1,0,0,0,0,0|2,0,0]=3 1506 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [1,0,0,0,0,0|2,0,0]=3 1507 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [1,0,0,0,0,0|2,0,0]=3 1508 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [1,0,0,0,0,0|2,0,0]=3 1509 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [1,0,0,0,0,0|2,0,0]=3 1510 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [1,0,0,0,0,0|2,0,0]=3 1511 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [1,0,0,0,0,0|2,0,0]=3 1512 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [1,0,0,0,0,0|2,0,0]=3 1513 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [1,0,0,0,0,0|2,0,0]=3 1514 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [1,0,0,0,0,0|2,0,0]=3 1515 B9R0.46 C=CCCNCC(O)C=C 2230a_100015191253_100000730141 [1,0,0,0,0,0|1,0,2]=4 1516 B9R0.46 C=CCCOCC(O)C=C 34a_100011205117_100000730141 [1,0,0,0,0,0|1,0,2]=4 1517 B9R0.46 C=CCCSCC(O)C=C 62a_100000730141_100000754431 [1,0,0,0,0,0|1,0,2]=4 1518 B9R0.46 C=CCCSCC(O)C=C 62a_100000754431_100000730141 [1,0,0,0,0,0|1,0,2]=4 1519 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,0,0,0,0,0|2,0,0]=3 1520 B9R0.46 C=C[C@H](N)COCCCF 34a_100016989147_100011934791 [1,0,0,0,0,0|3,0,0]=4 1521 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [1,0,0,0,0,0|3,0,0]=4 1522 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [1,0,0,0,0,0|3,0,0]=4 1523 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [1,0,0,0,0,0|3,0,0]=4 1524 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1525 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 1526 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,0,0,0,0,0|2,0,1]=4 1527 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1528 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,0,0,0,0,0|2,0,1]=4 1529 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 1530 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1531 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1532 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,0,0,0,0,0|2,0,1]=4 1533 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,0,0,0,0,0|2,0,1]=4 1534 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,0,0,0,0,0|2,0,1]=4 1535 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,0,0,0,0,0|2,0,1]=4 1536 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,0,0,0,0,0|2,0,1]=4 1537 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,0,0,0,0,0|2,0,1]=4 1538 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,0,0,0,0,0|2,0,1]=4 1539 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,0,0,0,0,0|2,0,1]=4 1540 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,0,0,0,0,0|2,0,1]=4 1541 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,0,0,0,0,0|1,0,2]=4 1542 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,0,0,0,0,0|1,0,2]=4 1543 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,0,0,0,0,0|1,0,2]=4 1544 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,0,0,0,0,0|2,0,1]=4 1545 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,0,0,0,0,0|2,0,1]=4 1546 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [1,0,0,0,0,0|2,0,1]=4 1547 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [1,0,0,0,0,0|2,0,1]=4 1548 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,0,0,0,0,0|2,0,1]=4 1549 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,0,0,0,0,0|2,0,1]=4 1550 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,0,0,0,0,0|2,0,1]=4 1551 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,0,0,0,0,0|1,0,2]=4 1552 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,0,0,0,0,0|1,0,2]=4 1553 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,0,0,0,0,0|2,0,1]=4 1554 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,0,0,0,0,0|2,0,1]=4 1555 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [1,0,0,0,0,0|2,0,1]=4 1556 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [1,0,0,0,0,0|2,0,1]=4 1557 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,0,0,0,0,0|2,0,1]=4 1558 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,0,0,0,0,0|2,0,1]=4 1559 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,0,0,0,0,0|1,0,2]=4 1560 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,0,0,0,0,0|1,0,2]=4 1561 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,0,0,0,0,0|2,0,1]=4 1562 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,0,0,0,0,0|2,0,1]=4 1563 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [1,0,0,0,0,0|2,0,1]=4 1564 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [1,0,0,0,0,0|2,0,1]=4 1565 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,0,0,0,0,0|2,0,1]=4 1566 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,0,0,0,0,0|2,0,1]=4 1567 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [0,1,0,0,0,0|2,0,0]=3 1568 B11R0.4 C/C=C/C(C)OCCCCCF 34a_200102604097_100000729378 [0,1,0,0,0,0|3,0,0]=4 1569 B11R0.4 C/C=C/C(C)OCCCCCO 34a_200102604097_100000746330 [0,1,0,0,0,0|3,0,0]=4 1570 B11R0.4 C/C=C/C(C)OCCCCOC 34a_200102604097_100000755781 [0,1,0,0,0,0|3,0,0]=4 1571 B11R0.4 C/C=C/C(C)OCCCOCC 34a_200102604097_100012232248 [0,1,0,0,0,0|3,0,0]=4 1572 B11R0.4 C/C=C/C(C)OCCOCCC 34a_200102604097_100011215938 [0,1,0,0,0,0|3,0,0]=4 1573 B11R0.4 C/C=C/C(C)OCOCCCC 34a_200102604097_100011995733 [0,1,0,0,0,0|3,0,0]=4 1574 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|0,0,2]=3 1575 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|0,0,2]=3 1576 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,1,0,0,0,0|1,0,2]=4 1577 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|1,0,2]=4 1578 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|1,0,2]=4 1579 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,1,0,0,0,0|1,0,2]=4 1580 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,1,0,0,0,0|1,0,2]=4 1581 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 1582 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 1583 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 1584 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 1585 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,1,0,0,0,0|2,0,0]=3 1586 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,1,0,0,0,0|2,0,0]=3 1587 B11R0.4 C=CCC(C)COCCCCF 34a_100009832082_100000729493 [0,1,0,0,0,0|3,0,0]=4 1588 B11R0.4 C=CCC(C)COCCCCF 7a_100009832082_100000729493 [0,1,0,0,0,0|3,0,0]=4 1589 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [0,1,0,0,0,0|3,0,0]=4 1590 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [0,1,0,0,0,0|3,0,0]=4 1591 B11R0.4 C=CCC(C)COCCCOC 34a_100009832082_100000740836 [0,1,0,0,0,0|3,0,0]=4 1592 B11R0.4 C=CCC(C)COCCCOC 7a_100009832082_100000740836 [0,1,0,0,0,0|3,0,0]=4 1593 B11R0.4 C=CCC(C)COCCOCC 34a_100009832082_100000210147 [0,1,0,0,0,0|3,0,0]=4 1594 B11R0.4 C=CCC(C)COCCOCC 7a_100009832082_100011215890 [0,1,0,0,0,0|3,0,0]=4 1595 B11R0.4 C=CCC(C)COCCSCC 34a_100009832082_100000757381 [0,1,0,0,0,0|3,0,0]=4 1596 B11R0.4 C=CCC(C)COCCSCC 7a_100009832082_100000757381 [0,1,0,0,0,0|3,0,0]=4 1597 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,1,0,0,0,0|2,0,0]=3 1598 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,1,0,0,0,0|2,0,0]=3 1599 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,1,0,0,0,0|2,0,0]=3 1600 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,1,0,0,0,0|2,0,0]=3 1601 B11R0.4 C=CCN(C)CCCCCCF 2230a_100000225617_100015922095 [0,1,0,0,0,0|3,0,0]=4 1602 B11R0.4 C=CCN(C)CCCCCCF 269982a_100000225617_100015922095 [0,1,0,0,0,0|3,0,0]=4 1603 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [0,1,0,0,0,0|3,0,0]=4 1604 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [0,1,0,0,0,0|3,0,0]=4 1605 B11R0.4 C=CCN(C)CCOCCCC 2230a_100000225617_100000743108 [0,1,0,0,0,0|3,0,0]=4 1606 B11R0.4 C=CCN(C)CCOCCCC 269982a_100000225617_100000743108 [0,1,0,0,0,0|3,0,0]=4 1607 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,1,0,0,0,0|2,0,0]=3 1608 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,1,0,0,0,0|2,0,0]=3 1609 B11R0.4 C=CC[C@@H](C)OCCCCCF 34a_100000731007_100000729378 [0,1,0,0,0,0|3,0,0]=4 1610 B11R0.4 C=CC[C@@H](C)OCCCCCF 7a_100000731007_100000729378 [0,1,0,0,0,0|3,0,0]=4 1611 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [0,1,0,0,0,0|3,0,0]=4 1612 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [0,1,0,0,0,0|3,0,0]=4 1613 B11R0.4 C=CC[C@@H](C)OCCCCOC 34a_100000731007_100000755781 [0,1,0,0,0,0|3,0,0]=4 1614 B11R0.4 C=CC[C@@H](C)OCCCCOC 7a_100000731007_100000730899 [0,1,0,0,0,0|3,0,0]=4 1615 B11R0.4 C=CC[C@@H](C)OCCCOCC 34a_100000731007_100012232248 [0,1,0,0,0,0|3,0,0]=4 1616 B11R0.4 C=CC[C@@H](C)OCCCOCC 7a_100000731007_100012232248 [0,1,0,0,0,0|3,0,0]=4 1617 B11R0.4 C=CC[C@@H](C)OCCOCCC 34a_100000731007_100011215938 [0,1,0,0,0,0|3,0,0]=4 1618 B11R0.4 C=CC[C@@H](C)OCCOCCC 7a_100000731007_100011215938 [0,1,0,0,0,0|3,0,0]=4 1619 B11R0.4 C=CC[C@@H](C)OCOCCCC 34a_100000731007_100011995733 [0,1,0,0,0,0|3,0,0]=4 1620 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,1,0,0,0,0|2,0,0]=3 1621 B11R0.4 C=CC[C@@H](N)COCCCCF 34a_100020615467_100000729493 [0,1,0,0,0,0|3,0,0]=4 1622 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [0,1,0,0,0,0|3,0,0]=4 1623 B11R0.4 C=CC[C@@H](N)COCCCOC 34a_100020615467_100000740836 [0,1,0,0,0,0|3,0,0]=4 1624 B11R0.4 C=CC[C@@H](N)COCCOCC 34a_100020615467_100000210147 [0,1,0,0,0,0|3,0,0]=4 1625 B11R0.4 C=CC[C@@H](N)COCCSCC 34a_100020615467_100000757381 [0,1,0,0,0,0|3,0,0]=4 1626 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,1,0,0,0,0|1,0,2]=4 1627 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,1,0,0,0,0|1,0,2]=4 1628 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,1,0,0,0,0|1,0,2]=4 1629 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,1,0,0,0,0|1,0,2]=4 1630 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|0,0,2]=3 1631 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,1,0,0,0,0|1,0,2]=4 1632 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,0,0,0,0|1,0,2]=4 1633 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,1,0,0,0,0|1,0,2]=4 1634 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|1,0,2]=4 1635 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|1,0,2]=4 1636 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|1,0,2]=4 1637 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,1,0,0,0,0|0,0,2]=3 1638 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,1,0,0,0,0|0,0,2]=3 1639 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,1,0,0,0,0|0,0,2]=3 1640 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|1,0,2]=4 1641 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|1,0,2]=4 1642 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,1,0,0,0,0|1,0,2]=4 1643 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,1,0,0,0,0|1,0,2]=4 1644 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,1,0,0,0,0|1,0,2]=4 1645 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 1646 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 1647 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,1,0,0,0,0|1,0,2]=4 1648 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,1,0,0,0,0|1,0,2]=4 1649 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,1,0,0,0,0|2,0,1]=4 1650 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,1,0,0,0,0|2,0,1]=4 1651 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,1,0,0,0,0|2,0,1]=4 1652 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,1,0,0,0,0|2,0,1]=4 1653 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,1,0,0,0,0|1,0,2]=4 1654 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,1,0,0,0,0|1,0,2]=4 1655 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,1,0,0,0,0|1,0,2]=4 1656 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,1,0,0,0,0|1,0,2]=4 1657 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,1,0,0,0,0|1,0,2]=4 1658 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,1,0,0,0,0|1,0,2]=4 1659 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,1,0,0,0,0|1,0,2]=4 1660 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,1,0,0,0,0|1,0,2]=4 1661 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,1,0,0,0,0|1,0,2]=4 1662 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 1663 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 1664 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,1,0,0,0,0|1,0,2]=4 1665 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,1,0,0,0,0|1,0,2]=4 1666 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,1,0,0,0,0|1,0,2]=4 1667 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,1,0,0,0,0|1,0,2]=4 1668 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,1,0,0,0,0|1,0,2]=4 1669 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,1,0,0,0,0|1,0,2]=4 1670 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,1,0,0,0,0|1,0,2]=4 1671 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,1,0,0,0,0|1,0,2]=4 1672 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,1,0,0,0,0|1,0,2]=4 1673 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,1,0,0,0,0|1,0,2]=4 1674 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,1,0,0,0,0|1,0,2]=4 1675 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,1,0,0,0,0|1,0,2]=4 1676 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,1,0,0,0,0|1,0,2]=4 1677 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,1,0,0,0,0|1,0,2]=4 1678 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,1,0,0,0,0|1,0,2]=4 1679 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,1,0,0,0,0|1,0,2]=4 1680 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,1,0,0,0,0|1,0,2]=4 1681 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,1,0,0,0,0|1,0,2]=4 1682 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,1,0,0,0,0|0,0,2]=3 1683 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,1,0,0,0,0|0,0,2]=3 1684 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,1,0,0,0,0|0,0,2]=3 1685 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,1,0,0,0,0|0,0,2]=3 1686 B11R0.40 C#CC(O)CCCCCSCF 62a_100015361967_200010408556 [0,1,0,0,0,0|1,0,2]=4 1687 B11R0.40 C#CC(O)CCCCCSCF 62a_200010408556_100015361967 [0,1,0,0,0,0|1,0,2]=4 1688 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,1,0,0,0,0|0,0,3]=4 1689 B11R0.40 C#CCCCCCOC(C)C=C 34a_100000695699_100012094781 [0,1,0,0,0,0|1,0,2]=4 1690 B11R0.40 C#CCCCCCSC(C)C=C 62a_100011215867_100012094781 [0,1,0,0,0,0|1,0,2]=4 1691 B11R0.40 C#CCCCCNCC(O)C=C 2230a_100000706060_100000730141 [0,1,0,0,0,0|0,0,2]=3 1692 B11R0.40 C#CCCCCNCC(O)C=C 34a_100000706060_100000730141 [0,1,0,0,0,0|0,0,2]=3 1693 B11R0.40 C#CCCCCOCC(C)C=C 34a_100011215527_100010269958 [0,1,0,0,0,0|1,0,2]=4 1694 B11R0.40 C#CCCCCOCC(C)C=C 7a_100011215527_100010269958 [0,1,0,0,0,0|1,0,2]=4 1695 B11R0.40 C#CCCCCOCC(O)C=C 34a_100000766709_100000730141 [0,1,0,0,0,0|0,0,2]=3 1696 B11R0.40 C#CCCCCOCC(O)C=C 7a_100000766709_100000730141 [0,1,0,0,0,0|0,0,2]=3 1697 B11R0.40 C#CCCCCOC[C@@H](N)C=C 34a_100016989147_100010269958 [0,1,0,0,0,0|1,0,2]=4 1698 B11R0.40 C#CCCCCSCC(O)C=C 62a_100000730141_100010269958 [0,1,0,0,0,0|0,0,2]=3 1699 B11R0.40 C#CCCCCSCC(O)C=C 62a_100010269958_100000730141 [0,1,0,0,0,0|0,0,2]=3 1700 B11R0.40 C#CCOCCNCC(O)C=C 2230a_100000700922_100000730141 [0,1,0,0,0,0|1,0,2]=4 1701 B11R0.40 C#CCOCCNCC(O)C=C 34a_100000700922_100000730141 [0,1,0,0,0,0|1,0,2]=4 1702 B11R0.40 C#CCOCCOCC(O)C=C 34a_100000054580_100000730141 [0,1,0,0,0,0|1,0,2]=4 1703 B11R0.40 C#CCOCCOCC(O)C=C 7a_100000054580_100000730141 [0,1,0,0,0,0|1,0,2]=4 1704 B11R0.40 C#CCOCCSCC(O)C=C 62a_100000730141_100010402529 [0,1,0,0,0,0|1,0,2]=4 1705 B11R0.40 C#CCOCCSCC(O)C=C 62a_100010402529_100000730141 [0,1,0,0,0,0|1,0,2]=4 1706 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,1,0,0,0,0|1,0,2]=4 1707 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,1,0,0,0,0|1,0,2]=4 1708 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,1,0,0,0,0|0,0,3]=4 1709 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,1,0,0,0,0|0,0,3]=4 1710 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|0,0,2]=3 1711 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|0,0,2]=3 1712 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,0,0,0,0|0,0,2]=3 1713 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,1,0,0,0,0|1,0,2]=4 1714 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,1,0,0,0,0|1,0,2]=4 1715 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|0,0,2]=3 1716 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|0,0,2]=3 1717 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,1,0,0,0,0|1,0,2]=4 1718 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,1,0,0,0,0|1,0,2]=4 1719 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,1,0,0,0,0|1,0,2]=4 1720 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,1,0,0,0,0|1,0,2]=4 1721 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,1,0,0,0,0|1,0,2]=4 1722 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,1,0,0,0,0|1,0,2]=4 1723 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,1,0,0,0,0|1,0,2]=4 1724 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,1,0,0,0,0|1,0,2]=4 1725 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,1,0,0,0,0|1,0,2]=4 1726 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,1,0,0,0,0|1,0,2]=4 1727 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,1,0,0,0,0|1,0,2]=4 1728 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,1,0,0,0,0|1,0,2]=4 1729 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,1,0,0,0,0|1,0,2]=4 1730 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,1,0,0,0,0|1,0,2]=4 1731 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,1,0,0,0,0|1,0,2]=4 1732 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,1,0,0,0,0|1,0,2]=4 1733 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,1,0,0,0,0|1,0,2]=4 1734 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,1,0,0,0,0|1,0,2]=4 1735 B11R0.40 C=CC(C)COCC/C=C\CC 34a_100011215527_100015370543 [0,1,0,0,0,0|1,0,2]=4 1736 B11R0.40 C=CC(C)COCC/C=C\CC 7a_100011215527_100015370543 [0,1,0,0,0,0|1,0,2]=4 1737 B11R0.40 C=CC(C)COCCCCC#N 7a_100011215527_100000211819 [0,1,0,0,0,0|2,0,1]=4 1738 B11R0.40 C=CC(C)COCCCCC=O 7a_100011215527_100000139335 [0,1,0,0,0,0|2,0,1]=4 1739 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,1,0,0,0,0|1,0,0]=2 1740 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,1,0,0,0,0|1,0,0]=2 1741 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [0,1,0,0,0,0|2,0,0]=3 1742 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [0,1,0,0,0,0|2,0,0]=3 1743 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,1,0,0,0,0|2,0,0]=3 1744 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,1,0,0,0,0|2,0,0]=3 1745 B11R0.40 C=CC(C)COCCCCOC 34a_100011215527_100000755781 [0,1,0,0,0,0|2,0,0]=3 1746 B11R0.40 C=CC(C)COCCCCOC 7a_100011215527_100000730899 [0,1,0,0,0,0|2,0,0]=3 1747 B11R0.40 C=CC(C)COCCCOCC 34a_100011215527_100012232248 [0,1,0,0,0,0|2,0,0]=3 1748 B11R0.40 C=CC(C)COCCCOCC 7a_100011215527_100012232248 [0,1,0,0,0,0|2,0,0]=3 1749 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [0,1,0,0,0,0|2,0,0]=3 1750 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [0,1,0,0,0,0|2,0,0]=3 1751 B11R0.40 C=CC(C)COCCOCCO 34a_100011215527_100000692535 [0,1,0,0,0,0|3,0,0]=4 1752 B11R0.40 C=CC(C)COCCOCCO 7a_100011215527_100011215305 [0,1,0,0,0,0|3,0,0]=4 1753 B11R0.40 C=CC(C)COCOCCCC 34a_100011215527_100011995733 [0,1,0,0,0,0|2,0,0]=3 1754 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,1,0,0,0,0|1,0,0]=2 1755 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [0,1,0,0,0,0|2,0,0]=3 1756 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,1,0,0,0,0|2,0,0]=3 1757 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [0,1,0,0,0,0|2,0,0]=3 1758 B11R0.40 C=CC(C)OCCOCCOC 34a_100000695699_100000695917 [0,1,0,0,0,0|3,0,0]=4 1759 B11R0.40 C=CC(C)SCCCCCC#N 62a_100011215867_100009813376 [0,1,0,0,0,0|2,0,1]=4 1760 B11R0.40 C=CC(C)SCCCCCC=O 62a_100011215867_100000139337 [0,1,0,0,0,0|2,0,1]=4 1761 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,1,0,0,0,0|1,0,0]=2 1762 B11R0.40 C=CC(C)SCCCCCCF 62a_100011215867_100015922095 [0,1,0,0,0,0|2,0,0]=3 1763 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [0,1,0,0,0,0|2,0,0]=3 1764 B11R0.40 C=CC(C)SCCOCCCC 62a_100011215867_100000743108 [0,1,0,0,0,0|2,0,0]=3 1765 B11R0.40 C=CC(C)SCCOCCOC 62a_100011215867_100000695917 [0,1,0,0,0,0|3,0,0]=4 1766 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,1,0,0,0,0|0,0,0]=1 1767 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,1,0,0,0,0|1,0,0]=2 1768 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,1,0,0,0,0|1,0,0]=2 1769 B11R0.40 C=CC(O)CNCCCN=[N+]=[N-] 2230a_100000744732_100000730141 [0,1,0,0,0,0|3,0,0]=4 1770 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [0,1,0,0,0,0|1,0,0]=2 1771 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [0,1,0,0,0,0|1,0,0]=2 1772 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,1,0,0,0,0|1,0,0]=2 1773 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,1,0,0,0,0|1,0,0]=2 1774 B11R0.40 C=CC(O)CNCCOCCO 2230a_100000211614_100000730141 [0,1,0,0,0,0|2,0,0]=3 1775 B11R0.40 C=CC(O)CNCCOCCO 34a_100000211614_100000730141 [0,1,0,0,0,0|2,0,0]=3 1776 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [0,1,0,0,0,0|1,0,0]=2 1777 B11R0.40 C=CC(O)CNCCSCCO 2230a_100011219999_100000730141 [0,1,0,0,0,0|2,0,0]=3 1778 B11R0.40 C=CC(O)COC/C=C/CCC 34a_100016278788_100000730141 [0,1,0,0,0,0|0,0,2]=3 1779 B11R0.40 C=CC(O)COC/C=C/CCC 7a_100016278788_100000730141 [0,1,0,0,0,0|0,0,2]=3 1780 B11R0.40 C=CC(O)COCC#CCCC 34a_100000034806_100000730141 [0,1,0,0,0,0|0,0,2]=3 1781 B11R0.40 C=CC(O)COCC#CCCC 7a_100000034806_100000730141 [0,1,0,0,0,0|0,0,2]=3 1782 B11R0.40 C=CC(O)COCC/C=C\CC 34a_100016288707_100000730141 [0,1,0,0,0,0|0,0,2]=3 1783 B11R0.40 C=CC(O)COCC/C=C\CC 7a_100016288707_100000730141 [0,1,0,0,0,0|0,0,2]=3 1784 B11R0.40 C=CC(O)COCCC#CCC 34a_100000036655_100000730141 [0,1,0,0,0,0|0,0,2]=3 1785 B11R0.40 C=CC(O)COCCC#CCC 7a_100000036655_100000730141 [0,1,0,0,0,0|0,0,2]=3 1786 B11R0.40 C=CC(O)COCCC=C=CC 34a_100011020354_100000730141 [0,1,0,0,0,0|0,0,3]=4 1787 B11R0.40 C=CC(O)COCCCC=CC 34a_100020645299_100000730141 [0,1,0,0,0,0|0,0,2]=3 1788 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,1,0,0,0,0|1,0,0]=2 1789 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,1,0,0,0,0|1,0,0]=2 1790 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,1,0,0,0,0|0,0,0]=1 1791 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,1,0,0,0,0|0,0,0]=1 1792 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,1,0,0,0,0|1,0,0]=2 1793 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,1,0,0,0,0|1,0,0]=2 1794 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,1,0,0,0,0|1,0,0]=2 1795 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,1,0,0,0,0|1,0,0]=2 1796 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,1,0,0,0,0|1,0,0]=2 1797 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,1,0,0,0,0|1,0,0]=2 1798 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,1,0,0,0,0|1,0,0]=2 1799 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,1,0,0,0,0|1,0,0]=2 1800 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,1,0,0,0,0|1,0,0]=2 1801 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,1,0,0,0,0|1,0,0]=2 1802 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,1,0,0,0,0|1,0,0]=2 1803 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,1,0,0,0,0|1,0,0]=2 1804 B11R0.40 C=CC(O)COCCOCCBr 34a_100000692535_100000730141 [0,1,0,0,0,0|2,0,0]=3 1805 B11R0.40 C=CC(O)COCCOCCBr 7a_100000692535_100000730141 [0,1,0,0,0,0|2,0,0]=3 1806 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,1,0,0,0,0|1,0,0]=2 1807 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,1,0,0,0,0|1,0,0]=2 1808 B11R0.40 C=CC(O)COCCOCCCl 34a_100011215305_100000730141 [0,1,0,0,0,0|2,0,0]=3 1809 B11R0.40 C=CC(O)COCCOCCCl 7a_100011215305_100000730141 [0,1,0,0,0,0|2,0,0]=3 1810 B11R0.40 C=CC(O)COCCOCCF 34a_200015357709_100000730141 [0,1,0,0,0,0|2,0,0]=3 1811 B11R0.40 C=CC(O)COCCOCCF 7a_200015357709_100000730141 [0,1,0,0,0,0|2,0,0]=3 1812 B11R0.40 C=CC(O)COCCOCCI 34a_100012149058_100000730141 [0,1,0,0,0,0|2,0,0]=3 1813 B11R0.40 C=CC(O)COCCOCCI 7a_100012149058_100000730141 [0,1,0,0,0,0|2,0,0]=3 1814 B11R0.40 C=CC(O)COCCOCCN 34a_100000211614_100000730141 [0,1,0,0,0,0|2,0,0]=3 1815 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,1,0,0,0,0|1,0,0]=2 1816 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,1,0,0,0,0|1,0,0]=2 1817 B11R0.40 C=CC(O)CSCC/C=C\CC 62a_100000730141_100015370543 [0,1,0,0,0,0|0,0,2]=3 1818 B11R0.40 C=CC(O)CSCC/C=C\CC 62a_100015370543_100000730141 [0,1,0,0,0,0|0,0,2]=3 1819 B11R0.40 C=CC(O)CSCCCCC#N 62a_100000730141_100000211819 [0,1,0,0,0,0|1,0,1]=3 1820 B11R0.40 C=CC(O)CSCCCCC#N 62a_100011219923_100000730141 [0,1,0,0,0,0|1,0,1]=3 1821 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000139335_100000730141 [0,1,0,0,0,0|1,0,1]=3 1822 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000730141_100000139335 [0,1,0,0,0,0|1,0,1]=3 1823 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,1,0,0,0,0|0,0,0]=1 1824 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,1,0,0,0,0|0,0,0]=1 1825 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [0,1,0,0,0,0|1,0,0]=2 1826 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [0,1,0,0,0,0|1,0,0]=2 1827 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,1,0,0,0,0|1,0,0]=2 1828 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,1,0,0,0,0|1,0,0]=2 1829 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [0,1,0,0,0,0|1,0,0]=2 1830 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [0,1,0,0,0,0|1,0,0]=2 1831 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [0,1,0,0,0,0|1,0,0]=2 1832 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [0,1,0,0,0,0|1,0,0]=2 1833 B11R0.40 C=CC(O)CSCCOCC#N 62a_100000730141_200000047693 [0,1,0,0,0,0|2,0,1]=4 1834 B11R0.40 C=CC(O)CSCCOCC#N 62a_200000047693_100000730141 [0,1,0,0,0,0|2,0,1]=4 1835 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,1,0,0,0,0|1,0,0]=2 1836 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,1,0,0,0,0|1,0,0]=2 1837 B11R0.40 C=CC(O)CSCCOCCO 62a_100000730141_100011215305 [0,1,0,0,0,0|2,0,0]=3 1838 B11R0.40 C=CC(O)CSCCOCCO 62a_100011215305_100000730141 [0,1,0,0,0,0|2,0,0]=3 1839 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,1,0,0,0,0|1,0,0]=2 1840 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,1,0,0,0,0|1,0,0]=2 1841 B11R0.40 C=CC(O)CSCOCCOC 62a_100000231047_100000730141 [0,1,0,0,0,0|2,0,0]=3 1842 B11R0.40 C=CC(O)CSCOCCOC 62a_100000730141_100000231047 [0,1,0,0,0,0|2,0,0]=3 1843 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,1,0,0,0,0|0,0,3]=4 1844 B11R0.40 C=CCCCCCOC(C)C=C 34a_100000695699_100000700193 [0,1,0,0,0,0|1,0,2]=4 1845 B11R0.40 C=CCCCCCSC(C)C=C 62a_100011215867_100000700193 [0,1,0,0,0,0|1,0,2]=4 1846 B11R0.40 C=CCCCCNCC(O)C=C 2230a_100000703577_100000730141 [0,1,0,0,0,0|0,0,2]=3 1847 B11R0.40 C=CCCCCNCC(O)C=C 34a_100000703577_100000730141 [0,1,0,0,0,0|0,0,2]=3 1848 B11R0.40 C=CCCCCOCC(C)C=C 34a_100011215527_100011215482 [0,1,0,0,0,0|1,0,2]=4 1849 B11R0.40 C=CCCCCOCC(C)C=C 7a_100011215527_100011215482 [0,1,0,0,0,0|1,0,2]=4 1850 B11R0.40 C=CCCCCOCC(O)C=C 34a_100000766645_100000730141 [0,1,0,0,0,0|0,0,2]=3 1851 B11R0.40 C=CCCCCOCC(O)C=C 7a_100000766645_100000730141 [0,1,0,0,0,0|0,0,2]=3 1852 B11R0.40 C=CCCCCOC[C@@H](N)C=C 34a_100016989147_100011215482 [0,1,0,0,0,0|1,0,2]=4 1853 B11R0.40 C=CCCCCSCC(O)C=C 62a_100000730141_100011215482 [0,1,0,0,0,0|0,0,2]=3 1854 B11R0.40 C=CCCCCSCC(O)C=C 62a_100011215482_100000730141 [0,1,0,0,0,0|0,0,2]=3 1855 B11R0.40 C=CCOCCOCC(O)C=C 34a_100000037705_100000730141 [0,1,0,0,0,0|1,0,2]=4 1856 B11R0.40 C=CCOCCOCC(O)C=C 7a_100000037705_100000730141 [0,1,0,0,0,0|1,0,2]=4 1857 B11R0.40 C=COCCCNCC(O)C=C 2230a_100000210767_100000730141 [0,1,0,0,0,0|1,0,2]=4 1858 B11R0.40 C=COCCCNCC(O)C=C 34a_100000210767_100000730141 [0,1,0,0,0,0|1,0,2]=4 1859 B11R0.40 C=C[C@H](N)COCC/C=C\CC 34a_100016989147_100015370543 [0,1,0,0,0,0|1,0,2]=4 1860 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,1,0,0,0,0|1,0,0]=2 1861 B11R0.40 C=C[C@H](N)COCCCCCF 34a_100016989147_100000729378 [0,1,0,0,0,0|2,0,0]=3 1862 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [0,1,0,0,0,0|2,0,0]=3 1863 B11R0.40 C=C[C@H](N)COCCCCOC 34a_100016989147_100000755781 [0,1,0,0,0,0|2,0,0]=3 1864 B11R0.40 C=C[C@H](N)COCCCOCC 34a_100016989147_100012232248 [0,1,0,0,0,0|2,0,0]=3 1865 B11R0.40 C=C[C@H](N)COCCOCCC 34a_100016989147_100011215938 [0,1,0,0,0,0|2,0,0]=3 1866 B11R0.40 C=C[C@H](N)COCCOCCO 34a_100016989147_100000692535 [0,1,0,0,0,0|3,0,0]=4 1867 B11R0.40 C=C[C@H](N)COCOCCCC 34a_100016989147_100011995733 [0,1,0,0,0,0|2,0,0]=3 1868 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,1,0,0,0,0|1,0,2]=4 1869 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 1870 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,1,0,0,0,0|1,0,2]=4 1871 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 1872 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,1,0,0,0,0|1,0,2]=4 1873 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,1,0,0,0,0|1,0,2]=4 1874 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,1,0,0,0,0|1,0,2]=4 1875 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,1,0,0,0,0|1,0,2]=4 1876 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,1,0,0,0,0|1,0,2]=4 1877 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,1,0,0,0,0|1,0,2]=4 1878 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,1,0,0,0,0|1,0,2]=4 1879 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 1880 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,1,0,0,0,0|1,0,2]=4 1881 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,1,0,0,0,0|1,0,2]=4 1882 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,1,0,0,0,0|1,0,2]=4 1883 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,1,0,0,0,0|1,0,2]=4 1884 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,1,0,0,0,0|1,0,2]=4 1885 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,1,0,0,0,0|1,0,2]=4 1886 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,1,0,0,0,0|1,0,2]=4 1887 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,1,0,0,0,0|1,0,2]=4 1888 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,1,0,0,0,0|1,0,2]=4 1889 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,1]=4 1890 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1891 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1892 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1893 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1894 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,1,0,0,0,0|2,0,1]=4 1895 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,1,0,0,0,0|2,0,1]=4 1896 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,1,0,0,0,0|1,0,2]=4 1897 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,1,0,0,0,0|1,0,2]=4 1898 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|2,0,1]=4 1899 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|2,0,1]=4 1900 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,1,0,0,0,0|2,0,1]=4 1901 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,1,0,0,0,0|2,0,1]=4 1902 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,1,0,0,0,0|1,0,2]=4 1903 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,1,0,0,0,0|1,0,2]=4 1904 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,1,0,0,0,0|1,0,2]=4 1905 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,1,0,0,0,0|2,0,1]=4 1906 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,1,0,0,0,0|2,0,1]=4 1907 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,1,0,0,0,0|2,0,1]=4 1908 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 1909 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 1910 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,1,0,0,0,0|2,0,1]=4 1911 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,1,0,0,0,0|2,0,1]=4 1912 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,1,0,0,0,0|1,0,2]=4 1913 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,1,0,0,0,0|1,0,2]=4 1914 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|2,0,1]=4 1915 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|2,0,1]=4 1916 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|2,0,1]=4 1917 B11R0.40 CCCCCCCSC(F)C#N 62a_100000210614_200000117898 [0,1,0,0,0,0|2,0,1]=4 1918 B11R0.40 CCCCCCCSC(F)C#N 62a_200000117898_100000210316 [0,1,0,0,0,0|2,0,1]=4 1919 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|2,0,1]=4 1920 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|2,0,1]=4 1921 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,1,0,0,0,0|1,0,2]=4 1922 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,1,0,0,0,0|1,0,2]=4 1923 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,1,0,0,0,0|1,0,2]=4 1924 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,1]=4 1925 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,1,0,0,0,0|0,0,2]=3 1926 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,1,0,0,0,0|0,0,2]=3 1927 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,1,0,0,0,0|1,0,1]=3 1928 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,1,0,0,0,0|1,0,2]=4 1929 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,1,0,0,0,0|2,0,1]=4 1930 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,1,0,0,0,0|2,0,1]=4 1931 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,1]=4 1932 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,1,0,0,0,0|1,0,1]=3 1933 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,1,0,0,0,0|1,0,1]=3 1934 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,1,0,0,0,0|1,0,1]=3 1935 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,1,0,0,0,0|1,0,2]=4 1936 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,1,0,0,0,0|1,0,2]=4 1937 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,1]=4 1938 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,1,0,0,0,0|2,0,1]=4 1939 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,1,0,0,0,0|2,0,1]=4 1940 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,1,0,0,0,0|0,0,2]=3 1941 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,1,0,0,0,0|0,0,2]=3 1942 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,1,0,0,0,0|1,0,1]=3 1943 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,1,0,0,0,0|1,0,1]=3 1944 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,1,0,0,0,0|1,0,2]=4 1945 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,1,0,0,0,0|1,0,2]=4 1946 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,1,0,0,0,0|1,0,2]=4 1947 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 1948 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 1949 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,1,0,0,0,0|1,0,1]=3 1950 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,1,0,0,0,0|1,0,1]=3 1951 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,1,0,0,0,0|1,0,1]=3 1952 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,1,0,0,0,0|1,0,1]=3 1953 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,1]=4 1954 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,1,0,0,0,0|1,0,2]=4 1955 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,1,0,0,0,0|1,0,2]=4 1956 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,1,0,0,0,0|0,0,2]=3 1957 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,1,0,0,0,0|0,0,2]=3 1958 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,1,0,0,0,0|1,0,1]=3 1959 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,1,0,0,0,0|1,0,1]=3 1960 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,1,0,0,0,0|1,0,2]=4 1961 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,1,0,0,0,0|1,0,2]=4 1962 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,1,0,0,0,0|2,0,1]=4 1963 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,1,0,0,0,0|2,0,1]=4 1964 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,1,0,0,0,0|1,0,1]=3 1965 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,1,0,0,0,0|1,0,1]=3 1966 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,1,0,0,0,0|1,0,1]=3 1967 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,1,0,0,0,0|1,0,1]=3 1968 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,1,0,0,0,0|1,0,2]=4 1969 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,1,0,0,0,0|2,0,1]=4 1970 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,1]=4 1971 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,1,0,0,0,0|1,0,2]=4 1972 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,1,0,0,0,0|2,0,1]=4 1973 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,1,0,0,0,0|1,0,2]=4 1974 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,1,0,0,0,0|2,0,1]=4 1975 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,1,0,0,0,0|1,0,2]=4 1976 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,1,0,0,0,0|2,0,1]=4 1977 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,1,0,0,0,0|1,0,2]=4 1978 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,1,0,0,0,0|1,0,2]=4 1979 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,1,0,0,0,0|2,0,1]=4 1980 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,1,0,0,0,0|2,0,1]=4 1981 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100011995733_100015614560 [0,1,0,0,0,0|2,0,1]=4 1982 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100015614560_100011995733 [0,1,0,0,0,0|2,0,1]=4 1983 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,1,0,0,0,0|2,0,1]=4 1984 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,1,0,0,0,0|2,0,1]=4 1985 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,1,0,0,0,0|1,0,2]=4 1986 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,1,0,0,0,0|1,0,2]=4 1987 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,1,0,0,0,0|1,0,2]=4 1988 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,1,0,0,0,0|2,0,1]=4 1989 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,1,0,0,0,0|2,0,1]=4 1990 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,1,0,0,0,0|2,0,1]=4 1991 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,1,0,0,0,0|2,0,1]=4 1992 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,1,0,0,0,0|2,0,1]=4 1993 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,1,0,0,0,0|2,0,1]=4 1994 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,1,0,0,0,0|2,0,1]=4 1995 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,1,0,0,0,0|1,0,2]=4 1996 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,1,0,0,0,0|1,0,2]=4 1997 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,1,0,0,0,0|2,0,1]=4 1998 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,1,0,0,0,0|2,0,1]=4 1999 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,1,0,0,0,0|2,0,1]=4 2000 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,1,0,0,0,0|2,0,1]=4 2001 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,1,0,0,0,0|2,0,1]=4 2002 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,1,0,0,0,0|2,0,1]=4 2003 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,1,0,0,0,0|1,0,2]=4 2004 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,1,0,0,0,0|1,0,2]=4 2005 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,1,0,0,0,0|2,0,1]=4 2006 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,1,0,0,0,0|2,0,1]=4 2007 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,1,0,0,0,0|2,0,1]=4 2008 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,1,0,0,0,0|2,0,1]=4 2009 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,1,0,0,0,0|2,0,1]=4 2010 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,1,0,0,0,0|2,0,1]=4 2011 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,1,0,0,0,0|1,0,2]=4 2012 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,1,0,0,0,0|2,0,1]=4 2013 B11R0.40 CCCSCCNC[C@@H](O)CF 2230a_100020603323_100015614560 [0,1,0,0,0,0|2,0,1]=4 2014 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,1,0,0,0,0|2,0,1]=4 2015 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,1,0,0,0,0|1,0,2]=4 2016 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,1,0,0,0,0|1,0,2]=4 2017 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,1,0,0,0,0|2,0,1]=4 2018 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,1,0,0,0,0|2,0,1]=4 2019 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,1,0,0,0,0|2,0,1]=4 2020 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,1,0,0,0,0|2,0,1]=4 2021 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,1,0,0,0,0|2,0,1]=4 2022 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,1,0,0,0,0|2,0,1]=4 2023 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,1,0,0,0,0|1,0,2]=4 2024 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,1,0,0,0,0|1,0,2]=4 2025 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,1,0,0,0,0|1,0,2]=4 2026 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,1,0,0,0,0|1,0,2]=4 2027 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,1,0,0,0,0|2,0,1]=4 2028 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,1,0,0,0,0|2,0,1]=4 2029 B11R0.40 CCOCCCNC[C@@H](O)CF 2230a_100000210961_100015614560 [0,1,0,0,0,0|2,0,1]=4 2030 B11R0.40 CCOCCCNC[C@@H](O)CF 34a_100000210961_100015614560 [0,1,0,0,0,0|2,0,1]=4 2031 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,1,0,0,0,0|2,0,1]=4 2032 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,1,0,0,0,0|2,0,1]=4 2033 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,1,0,0,0,0|2,0,1]=4 2034 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,1,0,0,0,0|1,0,2]=4 2035 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,1,0,0,0,0|1,0,2]=4 2036 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,1,0,0,0,0|2,0,1]=4 2037 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,1,0,0,0,0|2,0,1]=4 2038 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [0,1,0,0,0,0|2,0,1]=4 2039 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [0,1,0,0,0,0|2,0,1]=4 2040 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,1,0,0,0,0|2,0,1]=4 2041 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,1,0,0,0,0|2,0,1]=4 2042 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,1,0,0,0,0|1,0,2]=4 2043 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,1,0,0,0,0|1,0,2]=4 2044 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,1,0,0,0,0|2,0,1]=4 2045 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,1,0,0,0,0|2,0,1]=4 2046 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100012232248_100015614560 [0,1,0,0,0,0|2,0,1]=4 2047 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100015614560_100012232248 [0,1,0,0,0,0|2,0,1]=4 2048 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,1,0,0,0,0|2,0,1]=4 2049 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,1,0,0,0,0|2,0,1]=4 2050 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,1,0,0,0,0|1,0,2]=4 2051 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,1,0,0,0,0|1,0,2]=4 2052 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,1,0,0,0,0|2,0,1]=4 2053 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,1,0,0,0,0|2,0,1]=4 2054 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [0,1,0,0,0,0|2,0,1]=4 2055 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [0,1,0,0,0,0|2,0,1]=4 2056 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,1,0,0,0,0|2,0,1]=4 2057 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,1,0,0,0,0|2,0,1]=4 2058 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,1,0,0,0,0|2,0,1]=4 2059 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,1,0,0,0,0|2,0,1]=4 2060 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [0,1,0,0,0,0|2,0,1]=4 2061 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,1,0,0,0,0|2,0,1]=4 2062 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,1,0,0,0,0|2,0,1]=4 2063 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,1,0,0,0,0|2,0,1]=4 2064 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100000730899_100015614560 [0,1,0,0,0,0|2,0,1]=4 2065 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100015614560_100000730899 [0,1,0,0,0,0|2,0,1]=4 2066 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,1,0,0,0,0|2,0,1]=4 2067 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,1,0,0,0,0|2,0,1]=4 2068 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,1,0,0,0,0|2,0,1]=4 2069 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,1,0,0,0,0|2,0,1]=4 2070 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [0,1,0,0,0,0|2,0,1]=4 2071 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [0,1,0,0,0,0|2,0,1]=4 2072 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,1,0,0,0,0|2,0,1]=4 2073 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,1,0,0,0,0|2,0,1]=4 2074 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,1,0,0,0,0|2,0,1]=4 2075 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,1,0,0,0,0|2,0,1]=4 2076 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,1,0,0,0,0|2,0,1]=4 2077 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,1,0,0,0,0|2,0,1]=4 2078 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,1,0,0,0,0|2,0,1]=4 2079 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,1,0,0,0,0|2,0,1]=4 2080 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,1,0,0,0,0|2,0,1]=4 2081 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,1,0,0,0,0|2,0,1]=4 2082 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,1,0,0,0,0|2,0,1]=4 2083 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,1,0,0,0,0|2,0,1]=4 2084 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,1,0,0,0,0|2,0,1]=4 2085 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,1,0,0,0,0|2,0,1]=4 2086 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,1,0,0,0,0|2,0,1]=4 2087 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,1,0,0,0,0|2,0,1]=4 2088 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,1,0,0,0,0|2,0,1]=4 2089 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,1,0,0,0,0|2,0,1]=4 2090 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,1,0,0,0,0|2,0,1]=4 2091 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,1,0,0,0,0|2,0,1]=4 2092 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,1,0,0,0,0|2,0,1]=4 2093 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,1,0,0,0,0|2,0,1]=4 2094 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,1,0,0,0,0|2,0,1]=4 2095 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,1,0,0,0,0|2,0,1]=4 2096 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,1,0,0,0,0|2,0,1]=4 2097 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,1,0,0,0,0|2,0,1]=4 2098 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,1,0,0,0,0|2,0,1]=4 2099 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,1,0,0,0,0|2,0,1]=4 2100 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,1,0,0,0,0|2,0,1]=4 2101 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,1,0,0,0,0|2,0,1]=4 2102 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,1,0,0,0,0|2,0,1]=4 2103 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,1,0,0,0,0|2,0,1]=4 2104 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,1,0,0,0,0|2,0,1]=4 2105 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,1,0,0,0,0|2,0,1]=4 2106 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,1,0,0,0,0|2,0,1]=4 2107 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,1,0,0,0,0|2,0,1]=4 2108 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,1,0,0,0,0|2,0,1]=4 2109 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,1,0,0,0,0|2,0,1]=4 2110 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,1,0,0,0,0|2,0,1]=4 2112 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100000729378_100015614560 [0,1,0,0,0,0|2,0,1]=4 2114 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100015614560_100000729378 [0,1,0,0,0,0|2,0,1]=4 2115 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,1,0,0,0,0|1,0,2]=4 2116 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,1,0,0,0,0|1,0,2]=4 2117 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|0,0,2]=3 2118 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,1,0,0,0,0|1,0,2]=4 2119 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,1,0,0,0,0|1,0,2]=4 2120 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,1,0,0,0,0|1,0,2]=4 2121 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,1,0,0,0,0|1,0,2]=4 2122 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,1,0,0,0,0|1,0,2]=4 2123 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,1,0,0,0,0|2,0,0]=3 2124 B11R0.42 C=C(C)C(C)NCCCCCO 269862a_100000762737_100011216138 [0,1,0,0,0,0|3,0,0]=4 2125 B11R0.42 C=C(C)C(C)NCCCOCC 269862a_100000210961_100011216138 [0,1,0,0,0,0|3,0,0]=4 2126 B11R0.42 C=C(C)C(C)NCCOCCC 269862a_100161115042_100011216138 [0,1,0,0,0,0|3,0,0]=4 2127 B11R0.42 C=C(C)C(C)NCCSCCC 269862a_100020603323_100011216138 [0,1,0,0,0,0|3,0,0]=4 2128 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,1,0,0,0,0|1,0,2]=4 2129 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,1,0,0,0,0|1,0,2]=4 2130 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,1,0,0,0,0|1,0,2]=4 2131 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,1,0,0,0,0|1,0,2]=4 2132 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|1,0,1]=3 2133 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 2134 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 2135 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|2,0,1]=4 2136 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 2137 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 2138 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 2139 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,0,0,0,0|2,0,1]=4 2140 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,1,0,0,0,0|2,0,1]=4 2141 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,1,0,0,0,0|3,0,0]=4 2142 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,1,0,0,0,0|3,0,0]=4 2143 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,1,0,0,0,0|3,0,0]=4 2144 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,1,0,0,0,0|3,0,0]=4 2145 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,1,0,0,0,0|3,0,0]=4 2146 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,1,0,0,0,0|2,0,1]=4 2147 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,1,0,0,0,0|2,0,1]=4 2148 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,1,0,0,0,0|3,0,0]=4 2149 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,1,0,0,0,0|3,0,0]=4 2150 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,1,0,0,0,0|3,0,0]=4 2151 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,1,0,0,0,0|3,0,0]=4 2152 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,1,0,0,0,0|3,0,0]=4 2153 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,1,0,0,0,0|3,0,0]=4 2154 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,1,0,0,0,0|3,0,0]=4 2155 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,1,0,0,0,0|3,0,0]=4 2156 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,1,0,0,0,0|2,0,1]=4 2157 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,1,0,0,0,0|2,0,1]=4 2158 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,1,0,0,0,0|3,0,0]=4 2159 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,1,0,0,0,0|3,0,0]=4 2160 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,1,0,0,0,0|3,0,0]=4 2161 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,1,0,0,0,0|3,0,0]=4 2162 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,1,0,0,0,0|3,0,0]=4 2163 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,1,0,0,0,0|3,0,0]=4 2164 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,1,0,0,0,0|3,0,0]=4 2165 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,1,0,0,0,0|3,0,0]=4 2166 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,1,0,0,0,0|1,0,2]=4 2167 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,1,0,0,0,0|1,0,2]=4 2168 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,1,0,0,0,0|2,0,1]=4 2169 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,1,0,0,0,0|2,0,1]=4 2170 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,1,0,0,0,0|3,0,0]=4 2171 B11R0.49 C=CC(C)(C)OCCCCCC 34a_100011215311_100000210314 [0,1,0,0,0,0|2,0,0]=3 2172 B11R0.49 C=CC(C)(C)OCCCCCC 7a_100011215311_100000210314 [0,1,0,0,0,0|2,0,0]=3 2173 B11R0.49 C=CC(C)(C)OCCCCCF 34a_100011215311_100000729378 [0,1,0,0,0,0|3,0,0]=4 2174 B11R0.49 C=CC(C)(C)OCCCCCF 7a_100011215311_100000729378 [0,1,0,0,0,0|3,0,0]=4 2175 B11R0.49 C=CC(C)(C)OCCCCCO 34a_100011215311_100000746330 [0,1,0,0,0,0|3,0,0]=4 2176 B11R0.49 C=CC(C)(C)OCCCCCO 7a_100011215311_100000746330 [0,1,0,0,0,0|3,0,0]=4 2177 B11R0.49 C=CC(C)(C)OCCCCOC 34a_100011215311_100000755781 [0,1,0,0,0,0|3,0,0]=4 2178 B11R0.49 C=CC(C)(C)OCCCCOC 7a_100011215311_100000730899 [0,1,0,0,0,0|3,0,0]=4 2179 B11R0.49 C=CC(C)(C)OCCCOCC 34a_100011215311_100012232248 [0,1,0,0,0,0|3,0,0]=4 2180 B11R0.49 C=CC(C)(C)OCCCOCC 7a_100011215311_100012232248 [0,1,0,0,0,0|3,0,0]=4 2181 B11R0.49 C=CC(C)(C)OCCOCCC 34a_100011215311_100011215938 [0,1,0,0,0,0|3,0,0]=4 2182 B11R0.49 C=CC(C)(C)OCCOCCC 7a_100011215311_100011215938 [0,1,0,0,0,0|3,0,0]=4 2183 B11R0.49 C=CC(C)(C)OCOCCCC 34a_100011215311_100011995733 [0,1,0,0,0,0|3,0,0]=4 2184 B11R0.49 C=CC(F)(F)SCCCCCC 62a_100000210314_100009814244 [0,1,0,0,0,0|2,0,0]=3 2185 B11R0.49 C=CC(F)(F)SCCCCCC 62a_100009814244_100000210757 [0,1,0,0,0,0|2,0,0]=3 2186 B11R0.49 C=CC(F)(F)SCCCCCF 62a_100000729378_100009814244 [0,1,0,0,0,0|3,0,0]=4 2187 B11R0.49 C=CC(F)(F)SCCCCCF 62a_100009814244_100000729378 [0,1,0,0,0,0|3,0,0]=4 2188 B11R0.49 C=CC(F)(F)SCCCCCO 62a_100000746330_100009814244 [0,1,0,0,0,0|3,0,0]=4 2189 B11R0.49 C=CC(F)(F)SCCCCCO 62a_100009814244_100000746330 [0,1,0,0,0,0|3,0,0]=4 2190 B11R0.49 C=CC(F)(F)SCCCCOC 62a_100000730899_100009814244 [0,1,0,0,0,0|3,0,0]=4 2191 B11R0.49 C=CC(F)(F)SCCCCOC 62a_100009814244_100000730899 [0,1,0,0,0,0|3,0,0]=4 2192 B11R0.49 C=CC(F)(F)SCCCOCC 62a_100009814244_100012232248 [0,1,0,0,0,0|3,0,0]=4 2193 B11R0.49 C=CC(F)(F)SCCCOCC 62a_100012232248_100009814244 [0,1,0,0,0,0|3,0,0]=4 2194 B11R0.49 C=CC(F)(F)SCCOCCC 62a_100009814244_100011215938 [0,1,0,0,0,0|3,0,0]=4 2195 B11R0.49 C=CC(F)(F)SCCOCCC 62a_100011215938_100009814244 [0,1,0,0,0,0|3,0,0]=4 2196 B11R0.49 C=CC(F)(F)SCOCCCC 62a_100009814244_100011995733 [0,1,0,0,0,0|3,0,0]=4 2197 B11R0.49 C=CC(F)(F)SCOCCCC 62a_100011995733_100009814244 [0,1,0,0,0,0|3,0,0]=4 2198 B11R0.49 C=C[Si](C)(C)CNCCCCC 2230a_100000209983_100000038793 [0,1,0,0,0,0|2,1,0]=4 2199 B11R0.49 C=C[Si](C)(C)CSCCCCC 62a_100000038793_100000210326 [0,1,0,0,0,0|2,1,0]=4 2200 B11R0.49 C=C[Si](C)(C)CSCCCCC 62a_100000210326_100000038793 [0,1,0,0,0,0|2,1,0]=4 2201 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,1,0,0,0,0|2,0,1]=4 2202 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,1,0,0,0,0|2,0,1]=4 2203 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,1,0,0,0,0|2,0,1]=4 2204 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,1,0,0,0,0|2,0,1]=4 2205 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,1,0,0,0,0|2,0,1]=4 2206 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,1,0,0,0,0|2,0,1]=4 2207 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,1,0,0,0,0|2,0,1]=4 2208 B11R0.70 C=CC(C)COC(C)CCCC 34a_100011215527_200011215066 [0,1,0,0,0,0|2,0,0]=3 2209 B11R0.70 C=CC(C)COC(C)CCCC 7a_100011215527_200011215066 [0,1,0,0,0,0|2,0,0]=3 2210 B11R0.70 C=CC(O)CNC(C)CCCC 2230a_100000126638_100000730141 [0,1,0,0,0,0|1,0,0]=2 2211 B11R0.70 C=CC(O)COC(C)C#CCC 34a_100000033903_100000730141 [0,1,0,0,0,0|1,0,2]=4 2212 B11R0.70 C=CC(O)COC(C)C#CCC 7a_100000033903_100000730141 [0,1,0,0,0,0|1,0,2]=4 2213 B11R0.70 C=CC(O)COC(C)CCCC 34a_100000687866_100000730141 [0,1,0,0,0,0|1,0,0]=2 2214 B11R0.70 C=CC(O)COC(C)CCCC 7a_100000687866_100000730141 [0,1,0,0,0,0|1,0,0]=2 2215 B11R0.70 C=CC(O)COC(C)CCCCl 34a_200000718107_100000730141 [0,1,0,0,0,0|2,0,0]=3 2216 B11R0.70 C=CC(O)COC(C)CCCCl 7a_200000718107_100000730141 [0,1,0,0,0,0|2,0,0]=3 2217 B11R0.70 C=CC(O)COC(C)COCC 34a_100000718985_100000730141 [0,1,0,0,0,0|2,0,0]=3 2218 B11R0.70 C=CC(O)COC(C)COCC 7a_100000718985_100000730141 [0,1,0,0,0,0|2,0,0]=3 2219 B11R0.70 C=CC(O)CSC(C)CCCC 62a_100000730141_200011215066 [0,1,0,0,0,0|1,0,0]=2 2220 B11R0.70 C=CC(O)CSC(C)CCCC 62a_200011215066_100000730141 [0,1,0,0,0,0|1,0,0]=2 2221 B11R0.70 C=CCCC(C)OCC(O)C=C 34a_100000765329_100000730141 [0,1,0,0,0,0|1,0,2]=4 2222 B11R0.70 C=CCCC(C)OCC(O)C=C 7a_100000765329_100000730141 [0,1,0,0,0,0|1,0,2]=4 2223 B11R0.70 C=C[C@H](N)COC(C)CCCC 34a_100016989147_200011215066 [0,1,0,0,0,0|2,0,0]=3 2224 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,1,0,0,0,0|1,0,2]=4 2225 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,1,0,0,0,0|1,0,2]=4 2226 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,1,0,0,0,0|1,0,2]=4 2227 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [0,1,0,0,0,0|2,0,1]=4 2228 B11R0.70 CCCCC(C)NC[C@@H](O)CF 2230a_100000126638_100015614560 [0,1,0,0,0,0|2,0,1]=4 2229 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [0,1,0,0,0,0|2,0,1]=4 2230 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [0,1,0,0,0,0|2,0,1]=4 2231 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,1,0,0,0,0|1,0,2]=4 2232 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,1,0,0,0,0|1,0,2]=4 2233 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [0,1,0,0,0,0|2,0,1]=4 2234 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [0,1,0,0,0,0|2,0,1]=4 2235 B11R0.70 CCCCC(C)OC[C@@H](O)CF 34a_100000687866_100015614560 [0,1,0,0,0,0|2,0,1]=4 2236 B11R0.70 CCCCC(C)OC[C@@H](O)CF 7a_100000687866_100015614560 [0,1,0,0,0,0|2,0,1]=4 2237 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [0,1,0,0,0,0|2,0,1]=4 2238 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [0,1,0,0,0,0|2,0,1]=4 2239 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,1,0,0,0,0|1,0,2]=4 2240 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,1,0,0,0,0|1,0,2]=4 2241 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [0,1,0,0,0,0|2,0,1]=4 2242 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [0,1,0,0,0,0|2,0,1]=4 2243 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011215066 [0,1,0,0,0,0|2,0,1]=4 2244 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_200011215066_100015614560 [0,1,0,0,0,0|2,0,1]=4 2245 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [0,1,0,0,0,0|2,0,1]=4 2246 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [0,1,0,0,0,0|2,0,1]=4 2247 B11R0.106 C=CC(C)SCCCN(C)CC 62a_100011215867_100015186262 [0,1,0,0,0,0|3,0,0]=4 2248 B11R0.106 C=CC(O)CNCCC(=O)NC 2230a_100000738227_100000730141 [0,1,0,0,0,0|2,0,1]=4 2249 B11R0.106 C=CC(O)CNCCC(=O)NC 34a_100000738227_100000730141 [0,1,0,0,0,0|2,0,1]=4 2250 B11R0.106 C=CC(O)CNCCC(C)CC 2230a_100020591266_100000730141 [0,1,0,0,0,0|1,0,0]=2 2251 B11R0.106 C=CC(O)CNCCC(C)CO 2230a_106354213184_100000730141 [0,1,0,0,0,0|2,0,0]=3 2252 B11R0.106 C=CC(O)CNCCC(C)CO 34a_106354213184_100000730141 [0,1,0,0,0,0|2,0,0]=3 2253 B11R0.106 C=CC(O)COCCC(=O)NC 34a_100000754576_100000730141 [0,1,0,0,0,0|2,0,1]=4 2254 B11R0.106 C=CC(O)COCCC(C)CC 7a_100011215188_100000730141 [0,1,0,0,0,0|1,0,0]=2 2255 B11R0.106 C=CC(O)COCCC(C)OC 7a_100000764861_100000730141 [0,1,0,0,0,0|2,0,0]=3 2256 B11R0.106 C=CC(O)CSCCC(=O)NC 62a_100000730141_100000737683 [0,1,0,0,0,0|2,0,1]=4 2257 B11R0.106 C=CC(O)CSCCC(=O)NC 62a_100000737683_100000730141 [0,1,0,0,0,0|2,0,1]=4 2258 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000204255_100000730141 [0,1,0,0,0,0|2,0,1]=4 2259 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000730141_100000204255 [0,1,0,0,0,0|2,0,1]=4 2260 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,1,0,0,0,0|1,0,2]=4 2261 B11R0.106 CCC(C)CCNCC(O)CO 2230a_100020591266_100011219619 [0,1,0,0,0,0|2,0,1]=4 2262 B11R0.106 CCC(C)CCNC[C@@H](O)CF 2230a_100020591266_100015614560 [0,1,0,0,0,0|2,0,1]=4 2263 B11R0.106 CCC(C)CCNC[C@@H](O)CO 2230a_100020591266_100009815848 [0,1,0,0,0,0|2,0,1]=4 2264 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,1,0,0,0,0|1,0,2]=4 2265 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,1,0,0,0,0|2,0,1]=4 2266 B11R0.106 CCC(C)CCOC[C@@H](O)CF 7a_100011215188_100015614560 [0,1,0,0,0,0|2,0,1]=4 2267 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,1,0,0,0,0|2,0,1]=4 2268 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,1,0,0,0,0|0,0,3]=4 2269 B11R0.111 C#CC(O)CCCCCN(C)C 2230a_100102631434_200010408556 [0,1,0,0,0,0|1,0,2]=4 2270 B11R0.111 C#CC(O)CCCCCN(C)C 269982a_100102631434_200010408556 [0,1,0,0,0,0|1,0,2]=4 2271 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,1,0,0,0,0|0,0,2]=3 2272 B11R0.111 C=CC(C)COCCCC(=O)C 34a_100011215527_100000685027 [0,1,0,0,0,0|2,0,1]=4 2273 B11R0.111 C=CC(C)COCCCC(=O)C 7a_100011215527_100011215641 [0,1,0,0,0,0|2,0,1]=4 2274 B11R0.111 C=CC(C)COCCCC(C)C 34a_100011215527_100011214892 [0,1,0,0,0,0|2,0,0]=3 2275 B11R0.111 C=CC(C)COCCCC(C)C 7a_100011215527_100011214892 [0,1,0,0,0,0|2,0,0]=3 2276 B11R0.111 C=CC(C)COCCCC(C)O 34a_100011215527_200000718107 [0,1,0,0,0,0|2,0,0]=3 2277 B11R0.111 C=CC(C)COCCCC(C)O 7a_100011215527_200000718107 [0,1,0,0,0,0|2,0,0]=3 2278 B11R0.111 C=CC(C)COCCCN(C)C 7a_100011215527_100000757444 [0,1,0,0,0,0|3,0,0]=4 2279 B11R0.111 C=CC(C)COCCOC(C)C 34a_100011215527_100000211751 [0,1,0,0,0,0|3,0,0]=4 2280 B11R0.111 C=CC(C)COCCOC(C)C 7a_100011215527_100000211751 [0,1,0,0,0,0|3,0,0]=4 2281 B11R0.111 C=CC(C)COCCSC(C)C 34a_100011215527_100000730970 [0,1,0,0,0,0|3,0,0]=4 2282 B11R0.111 C=CC(C)COCCSC(C)C 7a_100011215527_100000730970 [0,1,0,0,0,0|3,0,0]=4 2283 B11R0.111 C=CC(C)OCCCCC(=O)C 34a_100000695699_100009817362 [0,1,0,0,0,0|2,0,1]=4 2284 B11R0.111 C=CC(C)OCCCCC(C)C 34a_100000695699_100011216152 [0,1,0,0,0,0|2,0,0]=3 2285 B11R0.111 C=CC(C)SCCCCC(=O)C 62a_100011215867_100000735457 [0,1,0,0,0,0|2,0,1]=4 2286 B11R0.111 C=CC(C)SCCCCC(C)C 62a_100011215867_100011216152 [0,1,0,0,0,0|2,0,0]=3 2287 B11R0.111 C=CC(C)SCCCCN(C)C 62a_100011215867_100000690147 [0,1,0,0,0,0|3,0,0]=4 2288 B11R0.111 C=CC(O)CNCCCC(=O)N 34a_100000739312_100000730141 [0,1,0,0,0,0|2,0,1]=4 2289 B11R0.111 C=CC(O)CNCCCC(C)C 2230a_200000737386_100000730141 [0,1,0,0,0,0|1,0,0]=2 2290 B11R0.111 C=CC(O)CNCCCC(C)C 34a_200000737386_100000730141 [0,1,0,0,0,0|1,0,0]=2 2291 B11R0.111 C=CC(O)CNCCCS(=O)C 2230a_200000753449_100000730141 [0,1,0,0,0,0|2,0,0]=3 2292 B11R0.111 C=CC(O)CNCCNC(=O)C 2230a_100000209853_100000730141 [0,1,0,0,0,0|2,0,1]=4 2293 B11R0.111 C=CC(O)CNCCOC(C)C 2230a_100000701111_100000730141 [0,1,0,0,0,0|2,0,0]=3 2294 B11R0.111 C=CC(O)CNCCOC(C)C 34a_100000701111_100000730141 [0,1,0,0,0,0|2,0,0]=3 2295 B11R0.111 C=CC(O)CNCCSC(C)C 2230a_100000731138_100000730141 [0,1,0,0,0,0|2,0,0]=3 2296 B11R0.111 C=CC(O)CNCCSC(C)C 34a_100000731138_100000730141 [0,1,0,0,0,0|2,0,0]=3 2297 B11R0.111 C=CC(O)COCCCC(=O)C 34a_100000759063_100000730141 [0,1,0,0,0,0|1,0,1]=3 2298 B11R0.111 C=CC(O)COCCCC(=O)C 7a_100000759063_100000730141 [0,1,0,0,0,0|1,0,1]=3 2299 B11R0.111 C=CC(O)COCCCC(C)C 34a_100000210774_100000730141 [0,1,0,0,0,0|1,0,0]=2 2300 B11R0.111 C=CC(O)COCCCC(C)C 7a_100000210774_100000730141 [0,1,0,0,0,0|1,0,0]=2 2301 B11R0.111 C=CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100000730141 [0,1,0,0,0,0|3,0,0]=4 2302 B11R0.111 C=CC(O)COCCNC(=O)C 34a_100000158858_100000730141 [0,1,0,0,0,0|2,0,1]=4 2303 B11R0.111 C=CC(O)COCCNC(C)C 34a_100000224655_100000730141 [0,1,0,0,0,0|2,0,0]=3 2304 B11R0.111 C=CC(O)COCCOC(C)C 34a_100000211219_100000730141 [0,1,0,0,0,0|2,0,0]=3 2305 B11R0.111 C=CC(O)COCCOC(C)C 7a_100000211219_100000730141 [0,1,0,0,0,0|2,0,0]=3 2306 B11R0.111 C=CC(O)COCCSC(C)C 34a_200011212901_100000730141 [0,1,0,0,0,0|2,0,0]=3 2307 B11R0.111 C=CC(O)COCCSC(C)C 7a_200011212901_100000730141 [0,1,0,0,0,0|2,0,0]=3 2308 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100000730141_100011217483 [0,1,0,0,0,0|1,0,2]=4 2309 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100011217483_100000730141 [0,1,0,0,0,0|1,0,2]=4 2310 B11R0.111 C=CC(O)CSCCCC(=O)C 62a_100000730141_100011215641 [0,1,0,0,0,0|1,0,1]=3 2311 B11R0.111 C=CC(O)CSCCCC(=O)C 62a_100011215641_100000730141 [0,1,0,0,0,0|1,0,1]=3 2312 B11R0.111 C=CC(O)CSCCCC(=O)N 62a_100000730141_100102525003 [0,1,0,0,0,0|2,0,1]=4 2313 B11R0.111 C=CC(O)CSCCCC(=O)N 62a_100102525003_100000730141 [0,1,0,0,0,0|2,0,1]=4 2314 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100000730141_100011214892 [0,1,0,0,0,0|1,0,0]=2 2315 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100011214892_100000730141 [0,1,0,0,0,0|1,0,0]=2 2316 B11R0.111 C=CC(O)CSCCCC(C)O 62a_100000730141_200000718107 [0,1,0,0,0,0|1,0,0]=2 2317 B11R0.111 C=CC(O)CSCCCC(C)O 62a_200000718107_100000730141 [0,1,0,0,0,0|1,0,0]=2 2318 B11R0.111 C=CC(O)CSCCCN(C)C 62a_100000730141_100000757444 [0,1,0,0,0,0|2,0,0]=3 2319 B11R0.111 C=CC(O)CSCCNC(=O)C 62a_100000189650_100000730141 [0,1,0,0,0,0|2,0,1]=4 2320 B11R0.111 C=CC(O)CSCCNC(=O)C 62a_100000730141_100000189650 [0,1,0,0,0,0|2,0,1]=4 2321 B11R0.111 C=CC(O)CSCCOC(=O)C 62a_100000730141_100009814007 [0,1,0,0,0,0|2,0,1]=4 2322 B11R0.111 C=CC(O)CSCCOC(=O)C 62a_100009814007_100000730141 [0,1,0,0,0,0|2,0,1]=4 2323 B11R0.111 C=CC(O)CSCCOC(C)C 62a_100000211751_100000730141 [0,1,0,0,0,0|2,0,0]=3 2324 B11R0.111 C=CC(O)CSCCOC(C)C 62a_100000730141_100000211751 [0,1,0,0,0,0|2,0,0]=3 2325 B11R0.111 C=CC(O)CSCCSC(C)C 62a_100000730141_100000730970 [0,1,0,0,0,0|2,0,0]=3 2326 B11R0.111 C=CC(O)CSCCSC(C)C 62a_100000730970_100000730141 [0,1,0,0,0,0|2,0,0]=3 2327 B11R0.111 C=C[C@H](N)COCCCC(=O)C 34a_100016989147_100000685027 [0,1,0,0,0,0|2,0,1]=4 2328 B11R0.111 C=C[C@H](N)COCCCC(C)C 34a_100016989147_100011214892 [0,1,0,0,0,0|2,0,0]=3 2329 B11R0.111 C=C[C@H](N)COCCCC(C)O 34a_100016989147_200000718107 [0,1,0,0,0,0|2,0,0]=3 2330 B11R0.111 C=C[C@H](N)COCCOC(C)C 34a_100016989147_100000211751 [0,1,0,0,0,0|3,0,0]=4 2331 B11R0.111 C=C[C@H](N)COCCSC(C)C 34a_100016989147_100000730970 [0,1,0,0,0,0|3,0,0]=4 2332 B11R0.111 CC(C)CCCNCC(O)CO 2230a_200000737386_100011219619 [0,1,0,0,0,0|2,0,1]=4 2333 B11R0.111 CC(C)CCCNCC(O)CO 34a_200000737386_100011219619 [0,1,0,0,0,0|2,0,1]=4 2334 B11R0.111 CC(C)CCCNC[C@@H](O)CF 2230a_200000737386_100015614560 [0,1,0,0,0,0|2,0,1]=4 2335 B11R0.111 CC(C)CCCNC[C@@H](O)CF 34a_200000737386_100015614560 [0,1,0,0,0,0|2,0,1]=4 2336 B11R0.111 CC(C)CCCNC[C@@H](O)CO 2230a_200000737386_100009815848 [0,1,0,0,0,0|2,0,1]=4 2337 B11R0.111 CC(C)CCCNC[C@@H](O)CO 34a_200000737386_100009815848 [0,1,0,0,0,0|2,0,1]=4 2338 B11R0.111 CC(C)CCCNC[C@H](O)CO 2230a_100020644852_100011214892 [0,1,0,0,0,0|2,0,1]=4 2339 B11R0.111 CC(C)CCCOCC(O)CO 34a_100000210774_100011219619 [0,1,0,0,0,0|2,0,1]=4 2340 B11R0.111 CC(C)CCCOCC(O)CO 7a_100000210774_100011219619 [0,1,0,0,0,0|2,0,1]=4 2341 B11R0.111 CC(C)CCCOC[C@@H](O)CF 34a_100000210774_100015614560 [0,1,0,0,0,0|2,0,1]=4 2342 B11R0.111 CC(C)CCCOC[C@@H](O)CF 7a_100000210774_100015614560 [0,1,0,0,0,0|2,0,1]=4 2343 B11R0.111 CC(C)CCCOC[C@@H](O)CO 34a_100000210774_100009815848 [0,1,0,0,0,0|2,0,1]=4 2344 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a_100000210774_100009815848 [0,1,0,0,0,0|2,0,1]=4 2345 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011214892_100011219619 [0,1,0,0,0,0|2,0,1]=4 2346 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011219619_100011214892 [0,1,0,0,0,0|2,0,1]=4 2347 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100011214892_100015614560 [0,1,0,0,0,0|2,0,1]=4 2348 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100015614560_100011214892 [0,1,0,0,0,0|2,0,1]=4 2349 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100009815848_100011214892 [0,1,0,0,0,0|2,0,1]=4 2350 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100011214892_100009815848 [0,1,0,0,0,0|2,0,1]=4 2351 B11R0.111 CC(O)CCCNC[C@H](O)CO 2230a_100020644852_200000718107 [0,1,0,0,0,0|2,0,1]=4 2352 B11R0.111 CC(O)CCCSCC(O)CO 62a_100011219619_200000718107 [0,1,0,0,0,0|2,0,1]=4 2353 B11R0.111 CC(O)CCCSCC(O)CO 62a_200000718107_100011219619 [0,1,0,0,0,0|2,0,1]=4 2354 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_100015614560_200000718107 [0,1,0,0,0,0|2,0,1]=4 2355 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_200000718107_100015614560 [0,1,0,0,0,0|2,0,1]=4 2356 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_100009815848_200000718107 [0,1,0,0,0,0|2,0,1]=4 2357 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_200000718107_100009815848 [0,1,0,0,0,0|2,0,1]=4 2358 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,1,0,0,0,0|1,0,2]=4 2359 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,1,0,0,0,0|1,0,2]=4 2360 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,1,0,0,0,0|1,0,2]=4 2361 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,1,0,0,0,0|1,0,2]=4 2362 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,1,0,0,0,0|1,0,2]=4 2363 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,1,0,0,0,0|1,0,2]=4 2364 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,1,0,0,0,0|1,0,2]=4 2365 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,1,0,0,0,0|1,0,2]=4 2366 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,1,0,0,0,0|1,0,2]=4 2367 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,1,0,0,0,0|1,0,2]=4 2368 B11R0.124 C#CCCCCN[C@@H](C=C)CO 2230a_100016989147_100010269958 [0,1,0,0,0,0|1,0,2]=4 2369 B11R0.124 C#CCCCCN[C@@H](C=C)CO 34a_100016989147_100010269958 [0,1,0,0,0,0|1,0,2]=4 2370 B11R0.124 C=CC(C=C)OCCCCCC 34a_100000033096_100000210314 [0,1,0,0,0,0|2,0,0]=3 2371 B11R0.124 C=CC(C=C)OCCCCCF 34a_100000033096_100000729378 [0,1,0,0,0,0|3,0,0]=4 2372 B11R0.124 C=CC(C=C)OCCCCCO 34a_100000033096_100000746330 [0,1,0,0,0,0|3,0,0]=4 2373 B11R0.124 C=CC(C=C)OCCCCOC 34a_100000033096_100000755781 [0,1,0,0,0,0|3,0,0]=4 2374 B11R0.124 C=CC(C=C)OCCCOCC 34a_100000033096_100012232248 [0,1,0,0,0,0|3,0,0]=4 2375 B11R0.124 C=CC(C=C)OCCOCCC 34a_100000033096_100011215938 [0,1,0,0,0,0|3,0,0]=4 2376 B11R0.124 C=CC(C=C)OCOCCCC 34a_100000033096_100011995733 [0,1,0,0,0,0|3,0,0]=4 2377 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,1,0,0,0,0|2,0,0]=3 2378 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,1,0,0,0,0|2,0,0]=3 2379 B11R0.124 C=CC(CC)OCCCCCF 34a_100000766422_100000729378 [0,1,0,0,0,0|3,0,0]=4 2380 B11R0.124 C=CC(CC)OCCCCCF 7a_100000766422_100000729378 [0,1,0,0,0,0|3,0,0]=4 2381 B11R0.124 C=CC(CC)OCCCCCO 34a_100000766422_100000746330 [0,1,0,0,0,0|3,0,0]=4 2382 B11R0.124 C=CC(CC)OCCCCCO 7a_100000766422_100000746330 [0,1,0,0,0,0|3,0,0]=4 2383 B11R0.124 C=CC(CC)OCCCCOC 34a_100000766422_100000755781 [0,1,0,0,0,0|3,0,0]=4 2384 B11R0.124 C=CC(CC)OCCCCOC 7a_100000766422_100000730899 [0,1,0,0,0,0|3,0,0]=4 2385 B11R0.124 C=CC(CC)OCCCOCC 34a_100000766422_100012232248 [0,1,0,0,0,0|3,0,0]=4 2386 B11R0.124 C=CC(CC)OCCCOCC 7a_100000766422_100012232248 [0,1,0,0,0,0|3,0,0]=4 2387 B11R0.124 C=CC(CC)OCCOCCC 34a_100000766422_100011215938 [0,1,0,0,0,0|3,0,0]=4 2388 B11R0.124 C=CC(CC)OCCOCCC 7a_100000766422_100011215938 [0,1,0,0,0,0|3,0,0]=4 2389 B11R0.124 C=CC(CC)OCOCCCC 34a_100000766422_100011995733 [0,1,0,0,0,0|3,0,0]=4 2390 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,1,0,0,0,0|0,0,0]=1 2391 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,1,0,0,0,0|0,0,0]=1 2392 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,1,0,0,0,0|0,0,0]=1 2393 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,1,0,0,0,0|0,0,0]=1 2394 B11R0.124 C=CCCCCN[C@@H](C=C)CO 2230a_100016989147_100011215482 [0,1,0,0,0,0|1,0,2]=4 2395 B11R0.124 C=CCCCCN[C@@H](C=C)CO 34a_100016989147_100011215482 [0,1,0,0,0,0|1,0,2]=4 2396 B11R0.124 C=C[C@@H](CO)NCC/C=C\CC 2230a_100016989147_100015370543 [0,1,0,0,0,0|1,0,2]=4 2397 B11R0.124 C=C[C@@H](CO)NCC/C=C\CC 34a_100016989147_100015370543 [0,1,0,0,0,0|1,0,2]=4 2398 B11R0.124 C=C[C@@H](CO)NCCCCC#N 2230a_100016989147_100000211819 [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.124 C=C[C@@H](CO)NCCCCC=O 2230a_100016989147_100000139335 [0,1,0,0,0,0|2,0,1]=4 2400 B11R0.124 C=C[C@@H](CO)NCCCCCC 2230a_100016989147_100000210314 [0,1,0,0,0,0|1,0,0]=2 2401 B11R0.124 C=C[C@@H](CO)NCCCCCC 34a_100016989147_100000210314 [0,1,0,0,0,0|1,0,0]=2 2402 B11R0.124 C=C[C@@H](CO)NCCCCCF 2230a_100016989147_100000729378 [0,1,0,0,0,0|2,0,0]=3 2403 B11R0.124 C=C[C@@H](CO)NCCCCCF 34a_100016989147_100000729378 [0,1,0,0,0,0|2,0,0]=3 2404 B11R0.124 C=C[C@@H](CO)NCCCCCO 2230a_100016989147_100000746330 [0,1,0,0,0,0|2,0,0]=3 2405 B11R0.124 C=C[C@@H](CO)NCCCCCO 34a_100016989147_100000746330 [0,1,0,0,0,0|2,0,0]=3 2406 B11R0.124 C=C[C@@H](CO)NCCCCOC 2230a_100016989147_100000730899 [0,1,0,0,0,0|2,0,0]=3 2407 B11R0.124 C=C[C@@H](CO)NCCCCOC 34a_100016989147_100000755781 [0,1,0,0,0,0|2,0,0]=3 2408 B11R0.124 C=C[C@@H](CO)NCCCOCC 2230a_100016989147_100012232248 [0,1,0,0,0,0|2,0,0]=3 2409 B11R0.124 C=C[C@@H](CO)NCCCOCC 34a_100016989147_100012232248 [0,1,0,0,0,0|2,0,0]=3 2410 B11R0.124 C=C[C@@H](CO)NCCOCCC 2230a_100016989147_100011215938 [0,1,0,0,0,0|2,0,0]=3 2411 B11R0.124 C=C[C@@H](CO)NCCOCCC 34a_100016989147_100011215938 [0,1,0,0,0,0|2,0,0]=3 2412 B11R0.124 C=C[C@@H](CO)NCCOCCO 2230a_100016989147_100011215305 [0,1,0,0,0,0|3,0,0]=4 2413 B11R0.124 C=C[C@@H](CO)NCCOCCO 34a_100016989147_100000692535 [0,1,0,0,0,0|3,0,0]=4 2414 B11R0.124 C=C[C@@H](CO)NCOCCCC 2230a_100016989147_100011995733 [0,1,0,0,0,0|2,0,0]=3 2415 B11R0.124 C=C[C@@H](CO)NCOCCCC 34a_100016989147_100011995733 [0,1,0,0,0,0|2,0,0]=3 2416 B11R0.124 C=C[C@@H](CO)NCOCCOC 2230a_100016989147_100000231047 [0,1,0,0,0,0|3,0,0]=4 2417 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,1,0,0,0,0|1,0,2]=4 2418 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,1,0,0,0,0|0,0,2]=3 2419 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,1,0,0,0,0|0,0,2]=3 2420 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,1,0,0,0,0|0,0,2]=3 2421 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,1,0,0,0,0|0,0,2]=3 2422 B11R0.124 CCCCCCNC(C=O)C=O 2230a_100000210581_100000736813 [0,1,0,0,0,0|2,0,1]=4 2423 B11R0.124 CCCCCCNC(CO)CO 2230a_100000759517_100000210314 [0,1,0,0,0,0|2,0,1]=4 2424 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,1,0,0,0,0|1,0,2]=4 2425 B11R0.124 CCCCCCOC(C=O)C=O 34a_100000210259_100000736813 [0,1,0,0,0,0|2,0,1]=4 2426 B11R0.124 CCCCCCSC(C=O)C=O 62a_100000210314_100000736813 [0,1,0,0,0,0|2,0,1]=4 2427 B11R0.124 CCCCCCSC(C=O)C=O 62a_100000736813_100000210757 [0,1,0,0,0,0|2,0,1]=4 2428 B11R0.124 CCCCCNCC(OC)OC 2230a_100000209983_100000751394 [0,1,0,0,0,0|2,0,1]=4 2429 B11R0.124 CCCCCNCC(OC)OC 270004a_100000209983_100000752162 [0,1,0,0,0,0|2,0,1]=4 2430 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,1,0,0,0,0|1,0,2]=4 2431 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,1,0,0,0,0|1,0,2]=4 2432 B11R0.124 CCCCCOCC(OC)OC 34a_100000210253_100000211822 [0,1,0,0,0,0|2,0,1]=4 2433 B11R0.124 CCCCCOCC(OC)OC 34a_100011216393_100000718602 [0,1,0,0,0,0|2,0,1]=4 2434 B11R0.124 CCCCCOCC(OC)OC 7a_100000210253_100000751394 [0,1,0,0,0,0|2,0,1]=4 2435 B11R0.124 CCCCCSCC(OC)OC 62a_100000210326_100000751394 [0,1,0,0,0,0|2,0,1]=4 2436 B11R0.124 CCCCCSCC(OC)OC 62a_100000751394_100000210326 [0,1,0,0,0,0|2,0,1]=4 2437 B11R0.124 CCCCNCCC(OC)OC 2230a_100000102301_100009813347 [0,1,0,0,0,0|2,0,1]=4 2438 B11R0.124 CCCCNCCC(OC)OC 7a_106832991798_100009813347 [0,1,0,0,0,0|2,0,1]=4 2439 B11R0.124 CCCCOCCC(OC)OC 34a_100000210227_100000139399 [0,1,0,0,0,0|2,0,1]=4 2440 B11R0.124 CCCCOCCC(OC)OC 7a_100000210227_100009813347 [0,1,0,0,0,0|2,0,1]=4 2441 B11R0.124 CCCCSCCC(OC)OC 62a_100000139399_100000210210 [0,1,0,0,0,0|2,0,1]=4 2442 B11R0.124 CCCCSCCC(OC)OC 62a_100000210211_100000139399 [0,1,0,0,0,0|2,0,1]=4 2443 B11R0.124 CCCOCCCC(OC)OC 34a_100000210258_100000069011 [0,1,0,0,0,0|2,0,1]=4 2444 B11R0.124 CCCSCCCC(OC)OC 62a_100000069011_100000210303 [0,1,0,0,0,0|2,0,1]=4 2445 B11R0.124 CCCSCCCC(OC)OC 62a_100000210303_100000069011 [0,1,0,0,0,0|2,0,1]=4 2446 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,1,0,0,0,0|0,0,2]=3 2447 B11R0.142 C=CC(=O)N(C)CCCCCC 1626a_106256046315_100000185746 [0,1,0,0,0,0|1,0,2]=4 2448 B11R0.142 C=CC(=O)N(C)CCCCCC 240690a_106256046315_200121576911 [0,1,0,0,0,0|1,0,2]=4 2449 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [0,1,0,0,0,0|1,0,1]=3 2450 B11R0.142 C=CC(C)C(=O)CCCCCF 1458a_100011216780_100000729378 [0,1,0,0,0,0|2,0,1]=4 2451 B11R0.142 C=CC(C)C(=O)CCCCCO 1458a_100011216780_100000746330 [0,1,0,0,0,0|2,0,1]=4 2452 B11R0.142 C=CC(C)C(=O)CCCCOC 1458a_100011216780_100000755781 [0,1,0,0,0,0|2,0,1]=4 2453 B11R0.142 C=CC(C)C(=O)CCCOCC 1458a_100011216780_100012232248 [0,1,0,0,0,0|2,0,1]=4 2454 B11R0.142 C=CC(C)C(=O)CCOCCC 1458a_100011216780_100011215938 [0,1,0,0,0,0|2,0,1]=4 2455 B11R0.142 C=CC(C)C(=O)COCCCC 1458a_100011216780_100011995733 [0,1,0,0,0,0|2,0,1]=4 2456 B11R0.142 C=CC(C)C(=O)NCCCCC 11a_100000209983_100011216780 [0,1,0,0,0,0|2,0,1]=4 2457 B11R0.142 C=CC(C)C(=O)NCCCCC 1626a_100000209983_100011216780 [0,1,0,0,0,0|2,0,1]=4 2458 B11R0.142 C=CC(C)C(=O)NCCCCC 240690a_100000209983_100011216780 [0,1,0,0,0,0|2,0,1]=4 2459 B11R0.142 C=CC(C)C(=O)NCCCCC 527a_100000209983_100011216780 [0,1,0,0,0,0|2,0,1]=4 2460 B11R0.142 C=CC(C)N(C)CCCCCC 269982a_106256046315_100011215867 [0,1,0,0,0,0|2,0,0]=3 2461 B11R0.142 C=CC(C)N(C)CCCCCO 269982a_100000722520_100011215867 [0,1,0,0,0,0|3,0,0]=4 2462 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 34a_100015455354_100000718602 [0,1,0,0,0,0|2,0,0]=3 2463 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 7a_100015455354_100000210326 [0,1,0,0,0,0|2,0,0]=3 2464 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCF 34a_100015455354_100000729493 [0,1,0,0,0,0|3,0,0]=4 2465 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCF 7a_100015455354_100000729493 [0,1,0,0,0,0|3,0,0]=4 2466 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCO 34a_100015455354_100011216708 [0,1,0,0,0,0|3,0,0]=4 2467 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCO 7a_100015455354_100000210776 [0,1,0,0,0,0|3,0,0]=4 2468 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCOC 34a_100015455354_100000740836 [0,1,0,0,0,0|3,0,0]=4 2469 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCOC 7a_100015455354_100000740836 [0,1,0,0,0,0|3,0,0]=4 2470 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCOCC 34a_100015455354_100000210147 [0,1,0,0,0,0|3,0,0]=4 2471 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCOCC 7a_100015455354_100011215890 [0,1,0,0,0,0|3,0,0]=4 2472 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCSCC 34a_100015455354_100000757381 [0,1,0,0,0,0|3,0,0]=4 2473 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCSCC 7a_100015455354_100000757381 [0,1,0,0,0,0|3,0,0]=4 2474 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,1,0,0,0,0|0,0,3]=4 2475 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,1,0,0,0,0|1,0,2]=4 2476 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,1,0,0,0,0|0,0,3]=4 2477 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,1,0,0,0,0|1,0,2]=4 2478 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,1,0,0,0,0|1,0,2]=4 2479 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,1,0,0,0,0|1,0,1]=3 2480 B11R0.154 C=CC(C)CC(=O)CCCCF 1458a_100011934298_100000729493 [0,1,0,0,0,0|2,0,1]=4 2481 B11R0.154 C=CC(C)CC(=O)CCCCO 1458a_100011934298_100000210776 [0,1,0,0,0,0|2,0,1]=4 2482 B11R0.154 C=CC(C)CC(=O)CCCOC 1458a_100011934298_100000740836 [0,1,0,0,0,0|2,0,1]=4 2483 B11R0.154 C=CC(C)CC(=O)CCOCC 1458a_100011934298_100011215890 [0,1,0,0,0,0|2,0,1]=4 2484 B11R0.154 C=CC(C)CC(=O)CCSCC 1458a_100011934298_100000757381 [0,1,0,0,0,0|2,0,1]=4 2485 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [0,1,0,0,0,0|2,0,1]=4 2486 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [0,1,0,0,0,0|2,0,1]=4 2487 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [0,1,0,0,0,0|2,0,1]=4 2488 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [0,1,0,0,0,0|2,0,1]=4 2489 B11R0.154 C=CC(C)OC(C)CCCCC 34a_100000695699_200011218191 [0,1,0,0,0,0|2,0,0]=3 2490 B11R0.154 C=CC(C)SC(C)CCCCC 62a_100011215867_200011218191 [0,1,0,0,0,0|2,0,0]=3 2491 B11R0.154 C=CC(O)CN(C)CCCCC 2230a_100000223495_100000730141 [0,1,0,0,0,0|1,0,0]=2 2492 B11R0.154 C=CC(O)CN(C)CCCCO 2230a_100000717598_100000730141 [0,1,0,0,0,0|2,0,0]=3 2493 B11R0.154 C=CC(O)CN(C)CCCOC 2230a_100000224831_100000730141 [0,1,0,0,0,0|2,0,0]=3 2494 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,1,0,0,0,0|0,0,3]=4 2495 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,1,0,0,0,0|0,0,3]=4 2496 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,1,0,0,0,0|1,0,2]=4 2497 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,1,0,0,0,0|1,0,2]=4 2498 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100000223495_100011219619 [0,1,0,0,0,0|2,0,1]=4 2499 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100011216503_100000210326 [0,1,0,0,0,0|2,0,1]=4 2500 B11R0.154 CCCCCN(C)CC(O)CO 269982a_100011216503_100000210215 [0,1,0,0,0,0|2,0,1]=4 2501 B11R0.154 CCCCCN(C)C[C@@H](O)CF 2230a_100000223495_100015614560 [0,1,0,0,0,0|2,0,1]=4 2502 B11R0.154 CCCCCN(C)C[C@@H](O)CO 2230a_100000223495_100009815848 [0,1,0,0,0,0|2,0,1]=4 2503 B11R0.174 C=CC(C)COCC(=O)CCC 7a_100011215527_100000747444 [0,1,0,0,0,0|2,0,1]=4 2504 B11R0.174 C=CC(C)COCC(C)CCC 34a_100011215527_100011216630 [0,1,0,0,0,0|2,0,0]=3 2505 B11R0.174 C=CC(C)COCC(C)CCC 7a_100011215527_100011216630 [0,1,0,0,0,0|2,0,0]=3 2506 B11R0.174 C=CC(C)COCC(O)COC 34a_100011215527_100011215053 [0,1,0,0,0,0|3,0,0]=4 2507 B11R0.174 C=CC(C)COCC(O)COC 7a_100011215527_100011215053 [0,1,0,0,0,0|3,0,0]=4 2508 B11R0.174 C=CC(O)CNCC(=O)NCC 2230a_100016988866_100000730141 [0,1,0,0,0,0|2,0,1]=4 2509 B11R0.174 C=CC(O)CNCC(O)COC 2230a_100000756049_100000730141 [0,1,0,0,0,0|2,0,0]=3 2510 B11R0.174 C=CC(O)CNCC(O)COC 34a_100000756049_100000730141 [0,1,0,0,0,0|2,0,0]=3 2511 B11R0.174 C=CC(O)COCC(C)CCC 34a_100000688023_100000730141 [0,1,0,0,0,0|1,0,0]=2 2512 B11R0.174 C=CC(O)COCC(C)CCC 7a_100000688023_100000730141 [0,1,0,0,0,0|1,0,0]=2 2513 B11R0.174 C=CC(O)COCC(C)CCN 34a_106354213184_100000730141 [0,1,0,0,0,0|2,0,0]=3 2514 B11R0.174 C=CC(O)COCC(N)COC 34a_100000724102_100000730141 [0,1,0,0,0,0|2,0,0]=3 2515 B11R0.174 C=CC(O)COC[C@@H](N)CCC 34a_100000732646_100000730141 [0,1,0,0,0,0|1,0,0]=2 2516 B11R0.174 C=CC(O)CSCC(=O)CCC 62a_100000730141_100000747444 [0,1,0,0,0,0|1,0,1]=3 2517 B11R0.174 C=CC(O)CSCC(=O)CCC 62a_100000747444_100000730141 [0,1,0,0,0,0|1,0,1]=3 2518 B11R0.174 C=CC(O)CSCC(=O)NCC 62a_100000183381_100000730141 [0,1,0,0,0,0|2,0,1]=4 2519 B11R0.174 C=CC(O)CSCC(=O)NCC 62a_100000730141_100000183381 [0,1,0,0,0,0|2,0,1]=4 2520 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000188475_100000730141 [0,1,0,0,0,0|2,0,1]=4 2521 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000730141_100000188475 [0,1,0,0,0,0|2,0,1]=4 2522 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100000730141_100011216630 [0,1,0,0,0,0|1,0,0]=2 2523 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100011216630_100000730141 [0,1,0,0,0,0|1,0,0]=2 2524 B11R0.174 C=CC(O)CSCC(O)COC 62a_100000730141_100011215053 [0,1,0,0,0,0|2,0,0]=3 2525 B11R0.174 C=CC(O)CSCC(O)COC 62a_100011215053_100000730141 [0,1,0,0,0,0|2,0,0]=3 2526 B11R0.174 C=CC(O)CSC[C@@H](O)CC#N 62a_100000001066_100000730141 [0,1,0,0,0,0|2,0,1]=4 2527 B11R0.174 C=CC(O)CSC[C@@H](O)CC#N 62a_100000730141_100000001066 [0,1,0,0,0,0|2,0,1]=4 2528 B11R0.174 C=CCC(C)COCC(O)C=C 34a_100009832082_100000730141 [0,1,0,0,0,0|1,0,2]=4 2529 B11R0.174 C=CCC(C)COCC(O)C=C 7a_100009832082_100000730141 [0,1,0,0,0,0|1,0,2]=4 2530 B11R0.174 C=CC[C@@H](N)COCC(O)C=C 34a_100020615467_100000730141 [0,1,0,0,0,0|1,0,2]=4 2531 B11R0.174 C=C[C@H](N)COCC(C)CCC 34a_100016989147_100011216630 [0,1,0,0,0,0|2,0,0]=3 2532 B11R0.174 C=C[C@H](N)COCC(O)COC 34a_100016989147_100011215053 [0,1,0,0,0,0|3,0,0]=4 2533 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,1,0,0,0,0|1,0,2]=4 2534 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,1,0,0,0,0|1,0,2]=4 2535 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,1,0,0,0,0|2,0,1]=4 2536 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,1,0,0,0,0|1,0,2]=4 2537 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,1,0,0,0,0|1,0,2]=4 2538 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,1,0,0,0,0|2,0,1]=4 2539 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,1,0,0,0,0|2,0,1]=4 2540 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [0,1,0,0,0,0|2,0,1]=4 2541 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [0,1,0,0,0,0|2,0,1]=4 2542 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,1,0,0,0,0|2,0,1]=4 2543 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,1,0,0,0,0|2,0,1]=4 2544 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,1,0,0,0,0|1,0,2]=4 2545 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,1,0,0,0,0|1,0,2]=4 2546 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,1,0,0,0,0|2,0,1]=4 2547 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,1,0,0,0,0|2,0,1]=4 2548 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [0,1,0,0,0,0|2,0,1]=4 2549 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [0,1,0,0,0,0|2,0,1]=4 2550 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,1,0,0,0,0|2,0,1]=4 2551 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,1,0,0,0,0|2,0,1]=4 2552 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,1,0,0,0,0|1,0,2]=4 2553 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,1,0,0,0,0|2,0,1]=4 2554 B11R0.174 CCC[C@H](N)COC[C@@H](O)CF 34a_100000732646_100015614560 [0,1,0,0,0,0|2,0,1]=4 2555 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,1,0,0,0,0|2,0,1]=4 2556 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,0,0,1,0,0|1,0,2]=4 2557 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,0,0,1,0,0|1,0,2]=4 2558 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,0,0,1,0,0|1,0,2]=4 2559 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,0,0,1,0,0|1,0,2]=4 2560 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,0,0,1,0,0|1,0,2]=4 2561 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,0,0,1,0,0|0,0,2]=3 2562 B11R1.25 C=CC(=O)CCN1CCCC1 1458a_100000185746_100000004467 [0,0,0,1,0,0|1,0,2]=4 2563 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,0,0,1,0,0|1,0,2]=4 2564 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,0,0,1,0,0|1,0,2]=4 2565 B11R1.25 C=CC(C)COC1CCCC1 34a_100011215527_100000179811 [0,0,0,1,0,0|2,0,0]=3 2566 B11R1.25 C=CC(C)COC1CCCC1 7a_100011215527_100000179811 [0,0,0,1,0,0|2,0,0]=3 2567 B11R1.25 C=CC(C)COC1CCOC1 34a_100011215527_100000690089 [0,0,0,1,0,0|3,0,0]=4 2568 B11R1.25 C=CC(C)COC1CCOC1 7a_100011215527_100000731011 [0,0,0,1,0,0|3,0,0]=4 2569 B11R1.25 C=CC(C)OCC1CCCC1 34a_100000695699_100000740388 [0,0,0,1,0,0|2,0,0]=3 2570 B11R1.25 C=CC(C)OCC1CCOC1 34a_100000695699_100011261433 [0,0,0,1,0,0|3,0,0]=4 2571 B11R1.25 C=CC(C)SCC1CCCC1 62a_100011215867_100000740388 [0,0,0,1,0,0|2,0,0]=3 2572 B11R1.25 C=CC(C)SCC1CCCO1 62a_100011215867_100000203698 [0,0,0,1,0,0|3,0,0]=4 2573 B11R1.25 C=CC(C)SCC1CCOC1 62a_100011215867_100000702531 [0,0,0,1,0,0|3,0,0]=4 2574 B11R1.25 C=CC(O)CNC1CC=CC1 2230a_100015188752_100000730141 [0,0,0,1,0,0|1,0,2]=4 2575 B11R1.25 C=CC(O)CNC1CCCC1 2230a_100000211070_100000730141 [0,0,0,1,0,0|1,0,0]=2 2576 B11R1.25 C=CC(O)CNC1CCCC1 34a_100000211070_100000730141 [0,0,0,1,0,0|1,0,0]=2 2577 B11R1.25 C=CC(O)CN[C@@H]1CCOC1 2230a_200015188469_100000730141 [0,0,0,1,0,0|2,0,0]=3 2578 B11R1.25 C=CC(O)CN[C@H]1CCOC1 2230a_100015188467_100000730141 [0,0,0,1,0,0|2,0,0]=3 2579 B11R1.25 C=CC(O)CN[C@H]1CCOC1 34a_100015188467_100000730141 [0,0,0,1,0,0|2,0,0]=3 2580 B11R1.25 C=CC(O)COC1CCCC1 34a_100000210269_100000730141 [0,0,0,1,0,0|1,0,0]=2 2581 B11R1.25 C=CC(O)COC1CCCC1 7a_100000210269_100000730141 [0,0,0,1,0,0|1,0,0]=2 2582 B11R1.25 C=CC(O)COC1CCCO1 34a_100000085407_100000730141 [0,0,0,1,0,0|2,0,0]=3 2583 B11R1.25 C=CC(O)COC1CCSC1 7a_100011232664_100000730141 [0,0,0,1,0,0|2,0,0]=3 2584 B11R1.25 C=CC(O)CO[C@H]1CCOC1 34a_100000717292_100000730141 [0,0,0,1,0,0|2,0,0]=3 2585 B11R1.25 C=CC(O)CSC1CCCC1 62a_100000730141_100000179811 [0,0,0,1,0,0|1,0,0]=2 2586 B11R1.25 C=CC(O)CSC1CCCC1 62a_100011217020_100000730141 [0,0,0,1,0,0|1,0,0]=2 2587 B11R1.25 C=CC(O)CSC1CCOC1 62a_100000730141_100000690089 [0,0,0,1,0,0|2,0,0]=3 2588 B11R1.25 C=C[C@H](N)COC1CCCC1 34a_100016989147_100000179811 [0,0,0,1,0,0|2,0,0]=3 2589 B11R1.25 C=C[C@H](N)COC1CCOC1 34a_100016989147_100000690089 [0,0,0,1,0,0|3,0,0]=4 2590 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,0,0,1,0,0|1,0,2]=4 2591 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,0,0,1,0,0|1,0,2]=4 2592 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,0,0,1,0,0|1,0,2]=4 2593 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,0,0,1,0,0|1,0,2]=4 2594 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,0,0,1,0,0|1,0,2]=4 2595 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,0,0,1,0,0|1,0,2]=4 2596 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,0,0,1,0,0|1,0,2]=4 2597 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,0,0,1,0,0|1,0,2]=4 2598 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,0,0,1,0,0|2,0,1]=4 2599 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,0,0,1,0,0|2,0,1]=4 2600 B11R1.25 OCC(O)COC1CCCC1 34a_100000210269_100011219619 [0,0,0,1,0,0|2,0,1]=4 2601 B11R1.25 OCC(O)COC1CCCC1 7a_100000210269_100011219619 [0,0,0,1,0,0|2,0,1]=4 2602 B11R1.25 OCC(O)CSC1CCCC1 62a_100011217020_100011219619 [0,0,0,1,0,0|2,0,1]=4 2603 B11R1.25 OCC(O)CSC1CCCC1 62a_100011219619_100000179811 [0,0,0,1,0,0|2,0,1]=4 2604 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,0,0,1,0,0|2,0,1]=4 2605 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,0,0,1,0,0|2,0,1]=4 2606 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,0,0,1,0,0|2,0,1]=4 2607 B11R1.25 OC[C@H](O)COC1CCCC1 34a_100000210269_100009815848 [0,0,0,1,0,0|2,0,1]=4 2608 B11R1.25 OC[C@H](O)COC1CCCC1 7a_100000210269_100009815848 [0,0,0,1,0,0|2,0,1]=4 2609 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100009815848_100000179811 [0,0,0,1,0,0|2,0,1]=4 2610 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100011217020_100009815848 [0,0,0,1,0,0|2,0,1]=4 2611 B11R1.25 O[C@@H](CF)CNC1CCCC1 2230a_100000211070_100015614560 [0,0,0,1,0,0|2,0,1]=4 2612 B11R1.25 O[C@@H](CF)CNC1CCCC1 34a_100000211070_100015614560 [0,0,0,1,0,0|2,0,1]=4 2613 B11R1.25 O[C@@H](CF)COC1CCCC1 34a_100000210269_100015614560 [0,0,0,1,0,0|2,0,1]=4 2614 B11R1.25 O[C@@H](CF)COC1CCCC1 7a_100000210269_100015614560 [0,0,0,1,0,0|2,0,1]=4 2615 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100011217020_100015614560 [0,0,0,1,0,0|2,0,1]=4 2616 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100015614560_100000179811 [0,0,0,1,0,0|2,0,1]=4 2617 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,0,0,1,0,0|1,0,2]=4 2618 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,0,0,1,0,0|1,0,2]=4 2619 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,0,0,1,0,0|1,0,2]=4 2620 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,0,0,1,0,0|1,0,2]=4 2621 B11R1.27 CCCNN=C1C=CC(C1)O 4a_100000740057_100000069023 [0,0,0,1,0,0|2,0,1]=4 2622 B11R1.27 CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210303 [0,0,0,1,0,0|2,0,0]=3 2623 B11R1.27 CSCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100011218213 [0,0,0,1,0,0|3,0,0]=4 2624 B11R1.27 N[C@H]1C=C[C@H](C1)COCCF 34a_100020646542_100011217306 [0,0,0,1,0,0|3,0,0]=4 2625 B11R1.27 N[C@H]1C=C[C@H](C1)COCCO 34a_100020646542_100000211926 [0,0,0,1,0,0|3,0,0]=4 2626 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,0,0,1,0,0|0,0,2]=3 2627 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,0,0,1,0,0|1,0,2]=4 2628 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,0,0,1,0,0|1,0,2]=4 2629 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,0,0,1,0,0|1,0,2]=4 2630 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,0,0,1,0,0|1,0,2]=4 2631 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,0,0,1,0,0|1,0,2]=4 2632 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [0,0,0,1,0,0|2,0,0]=3 2633 B11R1.40 C=CC(C)OC1CCCOC1 34a_100000695699_100000693364 [0,0,0,1,0,0|3,0,0]=4 2634 B11R1.40 C=CC(C)OC1CCSCC1 34a_100000695699_100000069128 [0,0,0,1,0,0|3,0,0]=4 2635 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [0,0,0,1,0,0|2,0,0]=3 2636 B11R1.40 C=CC(C)SC1CCCOC1 62a_100011215867_100000693364 [0,0,0,1,0,0|3,0,0]=4 2637 B11R1.40 C=CC(C)SC1CCOCC1 62a_100011215867_100011324220 [0,0,0,1,0,0|3,0,0]=4 2638 B11R1.40 C=CC(C)SC1CCSCC1 62a_100011215867_100000069128 [0,0,0,1,0,0|3,0,0]=4 2639 B11R1.40 C=CC(O)CN1CC=CCC1 2230a_100000698166_100000730141 [0,0,0,1,0,0|1,0,2]=4 2640 B11R1.40 C=CC(O)CN1CC=CCC1 34a_100000698166_100000730141 [0,0,0,1,0,0|1,0,2]=4 2641 B11R1.40 C=CC(O)CN1CCCOC1 2230a_100000131196_100000730141 [0,0,0,1,0,0|2,0,0]=3 2642 B11R1.40 C=CC(O)CN1CCCOC1 34a_100000131196_100000730141 [0,0,0,1,0,0|2,0,0]=3 2643 B11R1.40 C=CC(O)CN1CCOCC1 2230a_100015191051_100000730141 [0,0,0,1,0,0|2,0,0]=3 2644 B11R1.40 C=CC(O)CN1CCOCC1 34a_100015191051_100000730141 [0,0,0,1,0,0|2,0,0]=3 2645 B11R1.40 C=CC(O)CN1CCSCC1 2230a_100000737611_100000730141 [0,0,0,1,0,0|2,0,0]=3 2646 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,0,0,1,0,0|2,0,1]=4 2647 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,0,0,1,0,0|1,0,2]=4 2648 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,0,0,1,0,0|1,0,2]=4 2649 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,0,0,1,0,0|1,0,2]=4 2650 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,0,0,1,0,0|1,0,2]=4 2651 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,0,0,1,0,0|1,0,2]=4 2652 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,0,0,1,0,0|1,0,2]=4 2653 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,0,0,1,0,0|1,0,2]=4 2654 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,0,0,1,0,0|1,0,2]=4 2655 B11R1.59 C=CC(=O)N1CCCC1CC 1626a_100000754278_100000185746 [0,0,0,1,0,0|1,0,2]=4 2656 B11R1.59 C=CC(=O)N1CCCC1CC 240690a_100000754278_200121576911 [0,0,0,1,0,0|1,0,2]=4 2657 B11R1.59 C=CC(C)N1CCCC1CC 269982a_100000754278_100011215867 [0,0,0,1,0,0|2,0,0]=3 2658 B11R1.59 C=CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100011215867 [0,0,0,1,0,0|3,0,0]=4 2659 B11R1.115 C=CC(C)N1CCC1COC 269982a_100015195929_100011215867 [0,0,0,1,0,0|3,0,0]=4 2660 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,0,0,1,0,0|1,0,2]=4 2661 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,0,0,1,0,0|1,0,2]=4 2662 B11R1.222 C=CC(=O)N1CCCCC1C 1626a_100000211376_100000185746 [0,0,0,1,0,0|1,0,2]=4 2663 B11R1.222 C=CC(=O)N1CCCCC1C 240690a_100000211376_200121576911 [0,0,0,1,0,0|1,0,2]=4 2664 B11R1.222 C=CC(C)N1CCCCC1C 269982a_100000211376_100011215867 [0,0,0,1,0,0|2,0,0]=3 2665 B11R1.222 C=CC(C)N1CCOC[C@@H]1C 269982a_100009815349_100011215867 [0,0,0,1,0,0|3,0,0]=4 2666 B11R1.223 C=CC(O)CSC1CCC1=O 62a_100000730141_100009892977 [0,0,0,1,0,0|2,0,1]=4 2667 B11R1.223 C=CC(O)CSC1CCC1=O 62a_100009892977_100000730141 [0,0,0,1,0,0|2,0,1]=4 2668 B11R1.228 C=CC(C)S[C@@H]1CCC[C@H]1O 62a_100011215867_200016002552 [0,0,0,1,0,0|3,0,0]=4 2669 B11R1.228 C=CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100000730141 [0,0,0,1,0,0|1,0,0]=2 2670 B11R1.228 C=CC(O)CN1CCC[C@H]1C 2230a_100015189458_100000730141 [0,0,0,1,0,0|1,0,0]=2 2671 B11R1.228 C=CC(O)CN1CCC[C@H]1C 34a_100015189458_100000730141 [0,0,0,1,0,0|1,0,0]=2 2672 B11R1.228 C=CC(O)CN1CCSC1C 2230a_200011216479_100000730141 [0,0,0,1,0,0|2,0,0]=3 2673 B11R1.228 C=CC(O)CN1CCSC1C 34a_200011216479_100000730141 [0,0,0,1,0,0|2,0,0]=3 2674 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,0,0,1,0,0|1,0,2]=4 2675 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,0,0,1,0,0|1,0,2]=4 2676 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,0,0,1,0,0|1,0,2]=4 2677 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,0,0,1,0,0|1,0,2]=4 2678 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,0,0,1,0,0|1,0,2]=4 2679 B11R1.228 C[C@@H]1CCCN1CC(O)CO 2230a_100015189458_100011219619 [0,0,0,1,0,0|2,0,1]=4 2680 B11R1.228 C[C@@H]1CCCN1CC(O)CO 34a_100015189458_100011219619 [0,0,0,1,0,0|2,0,1]=4 2681 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 2230a_100015189458_100015614560 [0,0,0,1,0,0|2,0,1]=4 2682 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 34a_100015189458_100015614560 [0,0,0,1,0,0|2,0,1]=4 2683 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 2230a_100015189458_100009815848 [0,0,0,1,0,0|2,0,1]=4 2684 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 34a_100015189458_100009815848 [0,0,0,1,0,0|2,0,1]=4 2685 B11R1.228 C[C@H]1CCCN1CC(O)CO 2230a_100020605311_100011219619 [0,0,0,1,0,0|2,0,1]=4 2686 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CF 2230a_100020605311_100015614560 [0,0,0,1,0,0|2,0,1]=4 2687 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO 2230a_100020605311_100009815848 [0,0,0,1,0,0|2,0,1]=4 2688 B11R1.235 C=CC(O)COCC1CC1C 34a_100000744939_100000730141 [0,0,0,1,0,0|1,0,0]=2 2689 B11R1.235 C=CC(O)COCC1CC1C 7a_100000744939_100000730141 [0,0,0,1,0,0|1,0,0]=2 2690 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,0,0,1,0,0|2,0,1]=4 2691 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,0,0,1,0,0|2,0,1]=4 2692 B11R1.235 CC1CC1COC[C@@H](O)CF 34a_100000744939_100015614560 [0,0,0,1,0,0|2,0,1]=4 2693 B11R1.235 CC1CC1COC[C@@H](O)CF 7a_100000744939_100015614560 [0,0,0,1,0,0|2,0,1]=4 2694 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,0,0,1,0,0|2,0,1]=4 2695 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,0,0,1,0,0|2,0,1]=4 2696 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,0,0,1,0,0|1,0,2]=4 2697 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,0,0,1,0,0|1,0,2]=4 2698 B11R1.236 C=CC(C)COCC1CCC1 34a_100011215527_100000763275 [0,0,0,1,0,0|2,0,0]=3 2699 B11R1.236 C=CC(C)COCC1CCC1 7a_100011215527_100000763275 [0,0,0,1,0,0|2,0,0]=3 2700 B11R1.236 C=CC(C)COCC1CCO1 34a_100011215527_100000103362 [0,0,0,1,0,0|3,0,0]=4 2701 B11R1.236 C=CC(C)COCC1CCO1 7a_100011215527_100000103362 [0,0,0,1,0,0|3,0,0]=4 2702 B11R1.236 C=CC(C)COCC1COC1 34a_100011215527_100010264016 [0,0,0,1,0,0|3,0,0]=4 2703 B11R1.236 C=CC(C)COCC1COC1 7a_100011215527_100010264016 [0,0,0,1,0,0|3,0,0]=4 2704 B11R1.236 C=CC(O)CNCC1CCC1 2230a_100000738700_100000730141 [0,0,0,1,0,0|1,0,0]=2 2705 B11R1.236 C=CC(O)CNCC1CCC1 34a_100000738700_100000730141 [0,0,0,1,0,0|1,0,0]=2 2706 B11R1.236 C=CC(O)CNCC1COC1 2230a_100015281925_100000730141 [0,0,0,1,0,0|2,0,0]=3 2707 B11R1.236 C=CC(O)CNCC1COC1 34a_100015281925_100000730141 [0,0,0,1,0,0|2,0,0]=3 2708 B11R1.236 C=CC(O)CNC[C@@H]1CCO1 2230a_100020831831_100000730141 [0,0,0,1,0,0|2,0,0]=3 2709 B11R1.236 C=CC(O)CNC[C@@H]1CCO1 34a_100020831831_100000730141 [0,0,0,1,0,0|2,0,0]=3 2710 B11R1.236 C=CC(O)COCC1CCC1 34a_100000760304_100000730141 [0,0,0,1,0,0|1,0,0]=2 2711 B11R1.236 C=CC(O)COCC1CCO1 34a_100000039022_100000730141 [0,0,0,1,0,0|2,0,0]=3 2712 B11R1.236 C=CC(O)COCC1CNC1 34a_100016987283_100000730141 [0,0,0,1,0,0|2,0,0]=3 2713 B11R1.236 C=CC(O)COCC1COC1 34a_100000060846_100000730141 [0,0,0,1,0,0|2,0,0]=3 2714 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000730141_100000763275 [0,0,0,1,0,0|1,0,0]=2 2715 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000763275_100000730141 [0,0,0,1,0,0|1,0,0]=2 2716 B11R1.236 C=CC(O)CSCC1CCO1 62a_100000103362_100000730141 [0,0,0,1,0,0|2,0,0]=3 2717 B11R1.236 C=CC(O)CSCC1CCO1 62a_100000730141_100000103362 [0,0,0,1,0,0|2,0,0]=3 2718 B11R1.236 C=CC(O)CSCC1COC1 62a_100000730141_100010264016 [0,0,0,1,0,0|2,0,0]=3 2719 B11R1.236 C=CC(O)CSCC1COC1 62a_100010264016_100000730141 [0,0,0,1,0,0|2,0,0]=3 2720 B11R1.236 C=C[C@H](N)COCC1CCC1 34a_100016989147_100000763275 [0,0,0,1,0,0|2,0,0]=3 2721 B11R1.236 C=C[C@H](N)COCC1CCO1 34a_100016989147_100000103362 [0,0,0,1,0,0|3,0,0]=4 2722 B11R1.236 C=C[C@H](N)COCC1COC1 34a_100016989147_100010264016 [0,0,0,1,0,0|3,0,0]=4 2723 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,0,0,1,0,0|1,0,2]=4 2724 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,0,0,1,0,0|1,0,2]=4 2725 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,0,0,1,0,0|1,0,2]=4 2726 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,0,0,1,0,0|1,0,2]=4 2727 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,0,0,1,0,0|1,0,2]=4 2728 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,0,0,1,0,0|1,0,2]=4 2729 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,0,0,1,0,0|1,0,2]=4 2730 B11R1.236 OCC(O)CNCC1CCC1 2230a_100000738700_100011219619 [0,0,0,1,0,0|2,0,1]=4 2731 B11R1.236 OCC(O)CNCC1CCC1 34a_100000738700_100011219619 [0,0,0,1,0,0|2,0,1]=4 2732 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,0,0,1,0,0|2,0,1]=4 2733 B11R1.236 OCC(O)CSCC1CCC1 62a_100000763275_100011219619 [0,0,0,1,0,0|2,0,1]=4 2734 B11R1.236 OCC(O)CSCC1CCC1 62a_100011219619_100000763275 [0,0,0,1,0,0|2,0,1]=4 2735 B11R1.236 OC[C@@H](O)CNCC1CCC1 2230a_100020644852_100000763275 [0,0,0,1,0,0|2,0,1]=4 2736 B11R1.236 OC[C@@H](O)CNCC1CCC1 269862a_100020644852_100000753134 [0,0,0,1,0,0|2,0,1]=4 2737 B11R1.236 OC[C@H](O)CNCC1CCC1 2230a_100000738700_100009815848 [0,0,0,1,0,0|2,0,1]=4 2738 B11R1.236 OC[C@H](O)CNCC1CCC1 34a_100000738700_100009815848 [0,0,0,1,0,0|2,0,1]=4 2739 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,0,0,1,0,0|2,0,1]=4 2740 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100000763275_100009815848 [0,0,0,1,0,0|2,0,1]=4 2741 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100009815848_100000763275 [0,0,0,1,0,0|2,0,1]=4 2742 B11R1.236 O[C@@H](CF)CNCC1CCC1 2230a_100000738700_100015614560 [0,0,0,1,0,0|2,0,1]=4 2743 B11R1.236 O[C@@H](CF)CNCC1CCC1 34a_100000738700_100015614560 [0,0,0,1,0,0|2,0,1]=4 2744 B11R1.236 O[C@@H](CF)COCC1CCC1 34a_100000760304_100015614560 [0,0,0,1,0,0|2,0,1]=4 2745 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100000763275_100015614560 [0,0,0,1,0,0|2,0,1]=4 2746 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100015614560_100000763275 [0,0,0,1,0,0|2,0,1]=4 2747 B11R1.237 C=CC(C)COCCC1CC1 34a_100011215527_100000694398 [0,0,0,1,0,0|2,0,0]=3 2748 B11R1.237 C=CC(C)COCCC1CC1 7a_100011215527_100000764125 [0,0,0,1,0,0|2,0,0]=3 2749 B11R1.237 C=CC(C)COCCC1CO1 34a_100011215527_100000732470 [0,0,0,1,0,0|3,0,0]=4 2750 B11R1.237 C=CC(C)COCCC1CO1 7a_100011215527_100000732470 [0,0,0,1,0,0|3,0,0]=4 2751 B11R1.237 C=CC(C)OCCCC1CO1 34a_100000695699_100000733510 [0,0,0,1,0,0|3,0,0]=4 2752 B11R1.237 C=CC(C)SCCCC1CO1 62a_100011215867_100000733510 [0,0,0,1,0,0|3,0,0]=4 2753 B11R1.237 C=CC(O)CNCCC1CC1 34a_100000764129_100000730141 [0,0,0,1,0,0|1,0,0]=2 2754 B11R1.237 C=CC(O)COCCC1CC1 34a_100000754188_100000730141 [0,0,0,1,0,0|1,0,0]=2 2755 B11R1.237 C=CC(O)COCCC1CC1 7a_100000754188_100000730141 [0,0,0,1,0,0|1,0,0]=2 2756 B11R1.237 C=CC(O)COCC[C@@H]1CO1 34a_100009820653_100000730141 [0,0,0,1,0,0|2,0,0]=3 2757 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000730141_100000764125 [0,0,0,1,0,0|1,0,0]=2 2758 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000764125_100000730141 [0,0,0,1,0,0|1,0,0]=2 2759 B11R1.237 C=CC(O)CSCCC1CO1 62a_100000730141_100000732470 [0,0,0,1,0,0|2,0,0]=3 2760 B11R1.237 C=CC(O)CSCCC1CO1 62a_100000732470_100000730141 [0,0,0,1,0,0|2,0,0]=3 2761 B11R1.237 C=C[C@H](N)COCCC1CC1 34a_100016989147_100000694398 [0,0,0,1,0,0|2,0,0]=3 2762 B11R1.237 C=C[C@H](N)COCCC1CO1 34a_100016989147_100000732470 [0,0,0,1,0,0|3,0,0]=4 2763 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,0,0,1,0,0|1,0,2]=4 2764 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,0,0,1,0,0|1,0,2]=4 2765 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,0,0,1,0,0|1,0,2]=4 2766 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,0,0,1,0,0|1,0,2]=4 2767 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,0,0,1,0,0|1,0,2]=4 2768 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,0,0,1,0,0|1,0,2]=4 2769 B11R1.237 OCC(O)CNCCC1CC1 34a_100000764129_100011219619 [0,0,0,1,0,0|2,0,1]=4 2770 B11R1.237 OCC(O)COCCC1CC1 34a_100000754188_100011219619 [0,0,0,1,0,0|2,0,1]=4 2771 B11R1.237 OCC(O)COCCC1CC1 7a_100000754188_100011219619 [0,0,0,1,0,0|2,0,1]=4 2772 B11R1.237 OCC(O)CSCCC1CC1 62a_100000764125_100011219619 [0,0,0,1,0,0|2,0,1]=4 2773 B11R1.237 OCC(O)CSCCC1CC1 62a_100011219619_100000764125 [0,0,0,1,0,0|2,0,1]=4 2774 B11R1.237 OC[C@@H](O)CNCCC1CC1 2230a_100020644852_100000694398 [0,0,0,1,0,0|2,0,1]=4 2775 B11R1.237 OC[C@H](O)CNCCC1CC1 34a_100000764129_100009815848 [0,0,0,1,0,0|2,0,1]=4 2776 B11R1.237 OC[C@H](O)COCCC1CC1 34a_100000754188_100009815848 [0,0,0,1,0,0|2,0,1]=4 2777 B11R1.237 OC[C@H](O)COCCC1CC1 7a_100000754188_100009815848 [0,0,0,1,0,0|2,0,1]=4 2778 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100000764125_100009815848 [0,0,0,1,0,0|2,0,1]=4 2779 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100009815848_100000764125 [0,0,0,1,0,0|2,0,1]=4 2780 B11R1.237 O[C@@H](CF)CNCCC1CC1 34a_100000764129_100015614560 [0,0,0,1,0,0|2,0,1]=4 2781 B11R1.237 O[C@@H](CF)COCCC1CC1 34a_100000754188_100015614560 [0,0,0,1,0,0|2,0,1]=4 2782 B11R1.237 O[C@@H](CF)COCCC1CC1 7a_100000754188_100015614560 [0,0,0,1,0,0|2,0,1]=4 2783 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100000764125_100015614560 [0,0,0,1,0,0|2,0,1]=4 2784 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100015614560_100000764125 [0,0,0,1,0,0|2,0,1]=4 2785 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,0,0,1,0,0|2,0,1]=4 2786 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,0,0,1,0,0|1,0,2]=4 2787 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,0,0,1,0,0|1,0,2]=4 2788 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,0,0,1,0,0|1,0,2]=4 2789 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,0,0,1,0,0|0,0,2]=3 2790 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,0,0,1,0,0|1,0,2]=4 2791 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,0,0,1,0,0|1,0,2]=4 2792 B11R1.852 C=CC(C)N1CCCCCC1 269982a_100000185865_100011215867 [0,0,0,1,0,0|2,0,0]=3 2793 B11R1.852 C=CC(C)N1CCCOCC1 269982a_100000685342_100011215867 [0,0,0,1,0,0|3,0,0]=4 2794 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,0]=3 2795 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,0]=3 2796 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,0]=3 2797 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|1,0,0]=3 2798 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|1,0,0]=3 2799 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|1,0,0]=3 2800 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|1,0,0]=3 2801 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|1,0,0]=3 2802 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,0]=3 2803 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,0]=3 2804 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,0]=3 2805 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,0]=3 2806 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,0]=3 2807 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,0]=3 2808 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,0]=3 2809 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [2,0,0,0,0,0|2,0,0]=4 2810 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,0]=3 2811 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,0]=3 2812 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,0]=3 2813 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [2,0,0,0,0,0|2,0,0]=4 2814 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [2,0,0,0,0,0|2,0,0]=4 2815 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,0]=3 2816 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,0]=3 2817 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [2,0,0,0,0,0|2,0,0]=4 2818 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [2,0,0,0,0,0|2,0,0]=4 2819 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,0]=3 2820 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,0]=3 2821 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [2,0,0,0,0,0|2,0,0]=4 2822 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [2,0,0,0,0,0|2,0,0]=4 2823 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [2,0,0,0,0,0|2,0,0]=4 2824 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [2,0,0,0,0,0|2,0,0]=4 2825 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [2,0,0,0,0,0|2,0,0]=4 2826 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [2,0,0,0,0,0|2,0,0]=4 2827 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [2,0,0,0,0,0|2,0,0]=4 2828 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [2,0,0,0,0,0|2,0,0]=4 2829 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [2,0,0,0,0,0|2,0,0]=4 2830 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [2,0,0,0,0,0|2,0,0]=4 2831 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [2,0,0,0,0,0|2,0,0]=4 2832 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,0]=3 2833 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,0]=3 2834 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,0]=3 2835 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [2,0,0,0,0,0|2,0,0]=4 2836 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [2,0,0,0,0,0|2,0,0]=4 2837 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [2,0,0,0,0,0|2,0,0]=4 2838 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [2,0,0,0,0,0|2,0,0]=4 2839 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [2,0,0,0,0,0|2,0,0]=4 2840 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [2,0,0,0,0,0|2,0,0]=4 2841 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,0]=3 2842 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,0]=3 2843 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [2,0,0,0,0,0|2,0,0]=4 2844 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [2,0,0,0,0,0|2,0,0]=4 2845 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [2,0,0,0,0,0|2,0,0]=4 2846 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [2,0,0,0,0,0|2,0,0]=4 2847 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [2,0,0,0,0,0|2,0,0]=4 2848 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [2,0,0,0,0,0|2,0,0]=4 2849 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [2,0,0,0,0,0|2,0,0]=4 2850 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [2,0,0,0,0,0|2,0,0]=4 2851 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,0]=3 2852 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,0]=3 2853 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,0]=3 2854 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [2,0,0,0,0,0|2,0,0]=4 2855 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [2,0,0,0,0,0|2,0,0]=4 2856 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [2,0,0,0,0,0|2,0,0]=4 2857 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [2,0,0,0,0,0|2,0,0]=4 2858 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [2,0,0,0,0,0|2,0,0]=4 2859 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [2,0,0,0,0,0|2,0,0]=4 2860 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [2,0,0,0,0,0|2,0,0]=4 2861 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [2,0,0,0,0,0|2,0,0]=4 2862 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [2,0,0,0,0,0|2,0,0]=4 2863 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,0]=3 2864 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,0]=3 2865 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,0]=3 2866 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [2,0,0,0,0,0|2,0,0]=4 2867 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [2,0,0,0,0,0|2,0,0]=4 2868 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [2,0,0,0,0,0|2,0,0]=4 2869 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [2,0,0,0,0,0|2,0,0]=4 2870 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [2,0,0,0,0,0|2,0,0]=4 2871 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [2,0,0,0,0,0|2,0,0]=4 2872 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [2,0,0,0,0,0|2,0,0]=4 2873 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [2,0,0,0,0,0|2,0,0]=4 2874 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [2,0,0,0,0,0|2,0,0]=4 2875 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [2,0,0,0,0,0|2,0,0]=4 2876 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,0]=3 2877 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,0]=3 2878 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [2,0,0,0,0,0|2,0,0]=4 2879 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [2,0,0,0,0,0|2,0,0]=4 2880 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [2,0,0,0,0,0|2,0,0]=4 2881 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [2,0,0,0,0,0|2,0,0]=4 2882 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [2,0,0,0,0,0|2,0,0]=4 2883 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [2,0,0,0,0,0|2,0,0]=4 2884 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [2,0,0,0,0,0|2,0,0]=4 2885 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [2,0,0,0,0,0|2,0,0]=4 2886 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [2,0,0,0,0,0|2,0,0]=4 2887 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [2,0,0,0,0,0|2,0,0]=4 2888 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,0]=3 2889 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,0]=3 2890 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [2,0,0,0,0,0|2,0,0]=4 2891 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [2,0,0,0,0,0|2,0,0]=4 2892 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [2,0,0,0,0,0|2,0,0]=4 2893 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [2,0,0,0,0,0|2,0,0]=4 2894 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [2,0,0,0,0,0|2,0,0]=4 2895 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [2,0,0,0,0,0|2,0,0]=4 2896 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [2,0,0,0,0,0|2,0,0]=4 2897 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [2,0,0,0,0,0|2,0,0]=4 2898 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [2,0,0,0,0,0|2,0,0]=4 2899 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [2,0,0,0,0,0|2,0,0]=4 2900 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [2,0,0,0,0,0|2,0,0]=4 2901 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [2,0,0,0,0,0|2,0,0]=4 2902 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [2,0,0,0,0,0|2,0,0]=4 2903 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,0]=3 2904 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,0]=3 2905 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,0]=3 2906 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [2,0,0,0,0,0|2,0,0]=4 2907 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [2,0,0,0,0,0|2,0,0]=4 2908 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [2,0,0,0,0,0|2,0,0]=4 2909 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [2,0,0,0,0,0|2,0,0]=4 2910 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [2,0,0,0,0,0|2,0,0]=4 2911 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [2,0,0,0,0,0|2,0,0]=4 2912 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [2,0,0,0,0,0|2,0,0]=4 2913 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [2,0,0,0,0,0|2,0,0]=4 2914 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [2,0,0,0,0,0|2,0,0]=4 2915 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [2,0,0,0,0,0|2,0,0]=4 2916 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [2,0,0,0,0,0|2,0,0]=4 2917 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [2,0,0,0,0,0|2,0,0]=4 2918 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [2,0,0,0,0,0|2,0,0]=4 2919 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [2,0,0,0,0,0|2,0,0]=4 2920 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [2,0,0,0,0,0|2,0,0]=4 2921 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [2,0,0,0,0,0|2,0,0]=4 2922 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [2,0,0,0,0,0|2,0,0]=4 2923 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [2,0,0,0,0,0|2,0,0]=4 2924 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [2,0,0,0,0,0|2,0,0]=4 2925 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [2,0,0,0,0,0|2,0,0]=4 2926 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [2,0,0,0,0,0|2,0,0]=4 2927 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,0]=3 2928 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,0]=3 2929 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [2,0,0,0,0,0|2,0,0]=4 2930 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [2,0,0,0,0,0|2,0,0]=4 2931 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [2,0,0,0,0,0|2,0,0]=4 2932 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [2,0,0,0,0,0|2,0,0]=4 2933 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [2,0,0,0,0,0|2,0,0]=4 2934 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [2,0,0,0,0,0|2,0,0]=4 2935 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [2,0,0,0,0,0|2,0,0]=4 2936 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [2,0,0,0,0,0|2,0,0]=4 2937 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [2,0,0,0,0,0|2,0,0]=4 2938 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [2,0,0,0,0,0|2,0,0]=4 2939 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [2,0,0,0,0,0|2,0,0]=4 2940 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [2,0,0,0,0,0|2,0,0]=4 2941 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [2,0,0,0,0,0|2,0,0]=4 2942 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [2,0,0,0,0,0|2,0,0]=4 2943 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [2,0,0,0,0,0|2,0,0]=4 2944 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [2,0,0,0,0,0|2,0,0]=4 2945 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [2,0,0,0,0,0|2,0,0]=4 2946 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [2,0,0,0,0,0|2,0,0]=4 2947 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [2,0,0,0,0,0|2,0,0]=4 2948 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [2,0,0,0,0,0|2,0,0]=4 2949 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,1]=4 2950 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,1]=4 2951 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,1]=4 2952 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,1]=4 2953 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,1]=4 2954 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 2955 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,1]=4 2956 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 2957 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 2958 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 2959 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,1]=4 2960 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,1]=4 2961 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,1]=4 2962 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,1]=4 2963 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 2964 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 2965 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 2966 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,1]=4 2967 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 2968 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 2969 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 2970 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,1]=4 2971 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,1]=4 2972 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 2973 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 2974 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|2,0,0]=4 2975 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,1]=4 2976 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 2977 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 2978 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,0]=3 2979 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,0]=3 2980 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,0]=3 2981 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|2,0,0]=4 2982 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|2,0,0]=4 2983 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 2984 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 2985 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,1]=4 2986 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 2987 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 2988 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 2989 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|2,0,0]=4 2990 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 2991 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 2992 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|2,0,0]=4 2993 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|2,0,0]=4 2994 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,1]=4 2995 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,1]=4 2996 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 2997 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 2998 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,0]=3 2999 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,0]=3 3000 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 3001 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 3002 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 3003 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 3004 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 3005 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 3006 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,0]=3 3007 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,0]=3 3008 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 3009 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,1]=4 3010 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,1]=4 3011 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 3012 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 3013 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 3014 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 3015 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|2,0,0]=4 3016 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,0]=3 3017 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,0]=3 3018 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,1]=4 3019 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 3020 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 3021 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,0]=3 3022 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,0]=3 3023 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 3024 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 3025 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 3026 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 3027 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 3028 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 3029 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 3030 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 3031 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 3032 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 3033 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,0]=3 3034 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|2,0,0]=4 3035 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|2,0,0]=4 3036 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 3037 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 3038 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,0]=3 3039 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 3040 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|2,0,0]=4 3041 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 3042 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 3043 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,0]=3 3044 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 3045 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 3046 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [2,0,0,0,0,0|2,0,0]=4 3047 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 3048 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [2,0,0,0,0,0|2,0,0]=4 3049 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 3050 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 3051 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 3052 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 3053 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 3054 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 3055 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 3056 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 3057 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,0]=3 3058 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [2,0,0,0,0,0|2,0,0]=4 3059 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 3060 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [2,0,0,0,0,0|2,0,0]=4 3061 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 3062 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 3063 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 3064 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 3065 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [2,0,0,0,0,0|2,0,0]=4 3066 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [2,0,0,0,0,0|2,0,0]=4 3067 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [2,0,0,0,0,0|2,0,0]=4 3068 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [2,0,0,0,0,0|2,0,0]=4 3069 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|2,0,0]=4 3070 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|2,0,0]=4 3071 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 3072 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 3073 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,0]=3 3074 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,0]=3 3075 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [2,0,0,0,0,0|2,0,0]=4 3076 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [2,0,0,0,0,0|2,0,0]=4 3077 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [2,0,0,0,0,0|2,0,0]=4 3078 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 3079 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [2,0,0,0,0,0|2,0,0]=4 3080 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 3081 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 3082 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [2,0,0,0,0,0|2,0,0]=4 3083 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [2,0,0,0,0,0|2,0,0]=4 3084 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 3085 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 3086 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 3087 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 3088 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 3089 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 3090 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 3091 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 3092 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,0]=3 3093 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 3094 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 3095 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 3096 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 3097 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 3098 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 3099 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 3100 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|2,0,0]=4 3101 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 3102 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 3103 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,0]=3 3104 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [2,0,0,0,0,0|2,0,0]=4 3105 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [2,0,0,0,0,0|2,0,0]=4 3106 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [2,0,0,0,0,0|2,0,0]=4 3107 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 3108 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [2,0,0,0,0,0|2,0,0]=4 3109 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [2,0,0,0,0,0|2,0,0]=4 3110 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [2,0,0,0,0,0|2,0,0]=4 3111 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [2,0,0,0,0,0|2,0,0]=4 3112 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [2,0,0,0,0,0|2,0,0]=4 3113 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [2,0,0,0,0,0|2,0,0]=4 3114 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [2,0,0,0,0,0|2,0,0]=4 3115 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [2,0,0,0,0,0|2,0,0]=4 3116 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [2,0,0,0,0,0|2,0,0]=4 3117 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|2,0,0]=4 3118 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|2,0,0]=4 3119 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|2,0,0]=4 3120 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|2,0,0]=4 3121 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 3122 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,0]=3 3123 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [2,0,0,0,0,0|2,0,0]=4 3124 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 3125 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 3126 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [2,0,0,0,0,0|2,0,0]=4 3127 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [2,0,0,0,0,0|2,0,0]=4 3128 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [2,0,0,0,0,0|2,0,0]=4 3129 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [2,0,0,0,0,0|2,0,0]=4 3130 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [2,0,0,0,0,0|2,0,0]=4 3131 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 3132 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 3133 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 3134 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [2,0,0,0,0,0|2,0,0]=4 3135 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 3136 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [2,0,0,0,0,0|2,0,0]=4 3137 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|2,0,0]=4 3138 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [2,0,0,0,0,0|2,0,0]=4 3139 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [2,0,0,0,0,0|2,0,0]=4 3140 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [2,0,0,0,0,0|2,0,0]=4 3141 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 3142 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [2,0,0,0,0,0|2,0,0]=4 3143 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 3144 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 3145 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [2,0,0,0,0,0|2,0,0]=4 3146 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 3147 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [2,0,0,0,0,0|2,0,0]=4 3148 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [2,0,0,0,0,0|2,0,0]=4 3149 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 3150 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [2,0,0,0,0,0|2,0,0]=4 3151 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 3152 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [2,0,0,0,0,0|2,0,0]=4 3153 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 3154 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 3155 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [2,0,0,0,0,0|2,0,0]=4 3156 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [2,0,0,0,0,0|2,0,0]=4 3157 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [2,0,0,0,0,0|2,0,0]=4 3158 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [2,0,0,0,0,0|2,0,0]=4 3159 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [2,0,0,0,0,0|2,0,0]=4 3160 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [2,0,0,0,0,0|2,0,0]=4 3161 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [2,0,0,0,0,0|2,0,0]=4 3162 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [2,0,0,0,0,0|2,0,0]=4 3163 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [2,0,0,0,0,0|2,0,0]=4 3164 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 3165 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 3166 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 3167 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 3168 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [2,0,0,0,0,0|2,0,0]=4 3169 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [2,0,0,0,0,0|2,0,0]=4 3170 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [2,0,0,0,0,0|2,0,0]=4 3171 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 3172 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 3173 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 3174 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 3175 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 3176 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 3177 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 3178 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 3179 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 3180 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|2,0,0]=4 3181 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|2,0,0]=4 3182 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|2,0,0]=4 3183 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|2,0,0]=4 3184 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 3185 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,0]=3 3186 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [2,0,0,0,0,0|1,0,1]=4 3187 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [2,0,0,0,0,0|1,0,1]=4 3188 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [2,0,0,0,0,0|1,0,1]=4 3189 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [2,0,0,0,0,0|1,0,1]=4 3190 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [2,0,0,0,0,0|1,0,1]=4 3191 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [2,0,0,0,0,0|1,0,1]=4 3192 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [2,0,0,0,0,0|1,0,1]=4 3193 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [2,0,0,0,0,0|1,0,1]=4 3194 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [2,0,0,0,0,0|1,0,1]=4 3195 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [2,0,0,0,0,0|1,0,1]=4 3196 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [2,0,0,0,0,0|1,0,1]=4 3197 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [2,0,0,0,0,0|1,0,1]=4 3198 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [2,0,0,0,0,0|1,0,1]=4 3199 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [2,0,0,0,0,0|1,0,1]=4 3200 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [2,0,0,0,0,0|1,0,1]=4 3201 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [2,0,0,0,0,0|1,0,1]=4 3202 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [2,0,0,0,0,0|1,0,1]=4 3203 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [2,0,0,0,0,0|1,0,1]=4 3204 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [2,0,0,0,0,0|1,0,1]=4 3205 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [2,0,0,0,0,0|1,0,1]=4 3206 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [2,0,0,0,0,0|1,0,1]=4 3207 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [2,0,0,0,0,0|1,0,1]=4 3208 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,2]=4 3209 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [2,0,0,0,0,0|2,0,0]=4 3210 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [2,0,0,0,0,0|2,0,0]=4 3211 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [2,0,0,0,0,0|2,0,0]=4 3212 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [2,0,0,0,0,0|2,0,0]=4 3213 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [2,0,0,0,0,0|2,0,0]=4 3214 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [2,0,0,0,0,0|2,0,0]=4 3215 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [2,0,0,0,0,0|2,0,0]=4 3216 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [2,0,0,0,0,0|2,0,0]=4 3217 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [2,0,0,0,0,0|1,0,0]=3 3218 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [2,0,0,0,0,0|2,0,0]=4 3219 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [2,0,0,0,0,0|1,0,0]=3 3220 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [2,0,0,0,0,0|1,0,0]=3 3221 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [2,0,0,0,0,0|2,0,0]=4 3222 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [2,0,0,0,0,0|2,0,0]=4 3223 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [2,0,0,0,0,0|2,0,0]=4 3224 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [2,0,0,0,0,0|2,0,0]=4 3225 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [2,0,0,0,0,0|2,0,0]=4 3226 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [2,0,0,0,0,0|2,0,0]=4 3227 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [2,0,0,0,0,0|2,0,0]=4 3228 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [2,0,0,0,0,0|2,0,0]=4 3229 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [2,0,0,0,0,0|2,0,0]=4 3230 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|0,0,2]=4 3231 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [1,1,0,0,0,0|1,0,1]=4 3232 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [1,1,0,0,0,0|1,0,1]=4 3233 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [1,1,0,0,0,0|1,0,1]=4 3234 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [1,1,0,0,0,0|1,0,1]=4 3235 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [1,1,0,0,0,0|1,0,1]=4 3236 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [1,1,0,0,0,0|1,0,1]=4 3237 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [1,1,0,0,0,0|1,0,1]=4 3238 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [1,1,0,0,0,0|1,0,1]=4 3239 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [1,1,0,0,0,0|1,0,1]=4 3240 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [1,1,0,0,0,0|1,0,1]=4 3241 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [1,1,0,0,0,0|1,0,1]=4 3242 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [1,1,0,0,0,0|1,0,1]=4 3243 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [1,1,0,0,0,0|1,0,1]=4 3244 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [1,1,0,0,0,0|1,0,1]=4 3245 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [1,1,0,0,0,0|1,0,1]=4 3246 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [1,1,0,0,0,0|1,0,1]=4 3247 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [1,1,0,0,0,0|1,0,1]=4 3248 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [1,1,0,0,0,0|1,0,1]=4 3249 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [1,1,0,0,0,0|1,0,1]=4 3250 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [1,1,0,0,0,0|1,0,1]=4 3251 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [1,1,0,0,0,0|1,0,1]=4 3252 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [1,1,0,0,0,0|1,0,1]=4 3253 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,1,0,0,0,0|1,0,1]=4 3254 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|1,0,1]=4 3255 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 3256 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|1,0,1]=4 3257 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 3258 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|1,0,1]=4 3259 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|1,0,1]=4 3260 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|1,0,1]=4 3261 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|1,0,1]=4 3262 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 3263 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 3264 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|1,0,1]=4 3265 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|1,0,1]=4 3266 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,1,0,0,0,0|1,0,1]=4 3267 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,1,0,0,0,0|1,0,1]=4 3268 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,1,0,0,0,0|1,0,1]=4 3269 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,1,0,0,0,0|1,0,1]=4 3270 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,1,0,0,0,0|1,0,1]=4 3271 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,1,0,0,0,0|1,0,1]=4 3272 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 3273 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 3274 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [1,1,0,0,0,0|1,0,1]=4 3275 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [1,1,0,0,0,0|1,0,1]=4 3276 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [1,1,0,0,0,0|1,0,1]=4 3277 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [1,1,0,0,0,0|1,0,1]=4 3278 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [1,1,0,0,0,0|1,0,1]=4 3279 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [1,1,0,0,0,0|1,0,1]=4 3280 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [1,1,0,0,0,0|1,0,1]=4 3281 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [1,1,0,0,0,0|1,0,1]=4 3282 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [1,1,0,0,0,0|1,0,1]=4 3283 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [1,1,0,0,0,0|1,0,1]=4 3284 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [1,1,0,0,0,0|1,0,1]=4 3285 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 3286 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [1,1,0,0,0,0|1,0,1]=4 3287 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 3288 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|1,0,1]=4 3289 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 3290 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 3291 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 3292 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 3293 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|1,0,1]=4 3294 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 3295 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [1,1,0,0,0,0|1,0,1]=4 3296 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [1,1,0,0,0,0|1,0,1]=4 3297 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 3298 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [1,1,0,0,0,0|1,0,1]=4 3299 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [1,1,0,0,0,0|1,0,1]=4 3300 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [1,1,0,0,0,0|1,0,1]=4 3301 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [1,1,0,0,0,0|1,0,1]=4 3302 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [1,1,0,0,0,0|1,0,1]=4 3303 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|1,0,1]=4 3304 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,1]=4 3305 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [1,1,0,0,0,0|1,0,1]=4 3306 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [1,1,0,0,0,0|1,0,1]=4 3307 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [1,1,0,0,0,0|1,0,1]=4 3308 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [1,1,0,0,0,0|1,0,1]=4 3309 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [1,1,0,0,0,0|1,0,1]=4 3310 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [1,1,0,0,0,0|1,0,1]=4 3311 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,1]=4 3312 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [1,1,0,0,0,0|1,0,1]=4 3313 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [1,1,0,0,0,0|1,0,1]=4 3314 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [1,1,0,0,0,0|1,0,1]=4 3315 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [1,1,0,0,0,0|1,0,1]=4 3316 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,1]=4 3317 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,1]=4 3318 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,1]=4 3319 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 3320 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,1]=4 3321 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 3322 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,1]=4 3323 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,1]=4 3324 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,1]=4 3325 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,1]=4 3326 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 3327 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,1]=4 3328 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 3329 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|0,0,1]=3 3330 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|0,0,1]=3 3331 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|0,0,1]=3 3332 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [1,1,0,0,0,0|2,0,0]=4 3333 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [1,1,0,0,0,0|2,0,0]=4 3334 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|0,0,1]=3 3335 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|1,0,1]=4 3336 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,1]=4 3337 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,1]=4 3338 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,1]=4 3339 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|1,0,1]=4 3340 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|0,0,1]=3 3341 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|0,0,1]=3 3342 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 3343 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [1,1,0,0,0,0|2,0,0]=4 3344 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 3345 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|1,0,1]=4 3346 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,1]=4 3347 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|0,0,1]=3 3348 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|0,0,1]=3 3349 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,1]=4 3350 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,1]=4 3351 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|0,0,1]=3 3352 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|0,0,1]=3 3353 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [1,1,0,0,0,0|2,0,0]=4 3354 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [1,1,0,0,0,0|2,0,0]=4 3355 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|0,0,1]=3 3356 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|0,0,1]=3 3357 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,1]=4 3358 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,1]=4 3359 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|0,0,1]=3 3360 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|0,0,1]=3 3361 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,1]=4 3362 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|1,0,1]=4 3363 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|1,0,1]=4 3364 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|1,0,1]=4 3365 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|1,0,1]=4 3366 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|0,0,1]=3 3367 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|0,0,1]=3 3368 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [1,1,0,0,0,0|2,0,0]=4 3369 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 3370 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|1,0,1]=4 3371 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|1,0,1]=4 3372 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|0,0,1]=3 3373 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|0,0,1]=3 3374 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,1]=4 3375 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,1]=4 3376 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,1]=4 3377 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,1]=4 3378 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|0,0,1]=3 3379 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|0,0,1]=3 3380 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 3381 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|1,0,1]=4 3382 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 3383 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|1,0,1]=4 3384 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|0,0,1]=3 3385 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|0,0,1]=3 3386 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 3387 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 3388 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [1,1,0,0,0,0|1,0,1]=4 3389 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [1,1,0,0,0,0|1,0,1]=4 3390 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [1,1,0,0,0,0|1,0,1]=4 3391 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [1,1,0,0,0,0|1,0,1]=4 3392 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|1,0,1]=4 3393 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|1,0,1]=4 3394 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|0,0,1]=3 3395 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|0,0,1]=3 3396 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [1,1,0,0,0,0|2,0,0]=4 3397 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,1]=4 3398 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 3399 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 3400 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [1,1,0,0,0,0|1,0,1]=4 3401 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [1,1,0,0,0,0|1,0,1]=4 3402 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [1,1,0,0,0,0|1,0,1]=4 3403 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [1,1,0,0,0,0|1,0,1]=4 3404 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [1,1,0,0,0,0|1,0,1]=4 3405 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [1,1,0,0,0,0|1,0,1]=4 3406 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [1,1,0,0,0,0|1,0,1]=4 3407 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [1,1,0,0,0,0|1,0,1]=4 3408 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [1,1,0,0,0,0|1,0,1]=4 3409 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [1,1,0,0,0,0|1,0,1]=4 3410 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [1,1,0,0,0,0|1,0,1]=4 3411 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [1,1,0,0,0,0|1,0,1]=4 3412 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [1,1,0,0,0,0|1,0,1]=4 3413 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [1,1,0,0,0,0|1,0,1]=4 3414 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [1,1,0,0,0,0|2,0,0]=4 3415 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [1,1,0,0,0,0|2,0,0]=4 3416 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,1]=4 3417 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,1]=4 3418 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [1,1,0,0,0,0|1,0,1]=4 3419 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [1,1,0,0,0,0|1,0,1]=4 3420 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [1,1,0,0,0,0|1,0,1]=4 3421 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [1,1,0,0,0,0|1,0,1]=4 3422 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [1,1,0,0,0,0|1,0,1]=4 3423 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [1,1,0,0,0,0|1,0,1]=4 3424 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,1,0,0,0,0|2,0,0]=4 3425 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 3426 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,1]=4 3427 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 3428 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [1,1,0,0,0,0|2,0,0]=4 3429 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 3430 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,1]=4 3431 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 3432 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [1,1,0,0,0,0|1,0,1]=4 3433 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [1,1,0,0,0,0|1,0,1]=4 3434 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [1,1,0,0,0,0|1,0,1]=4 3435 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [1,1,0,0,0,0|1,0,1]=4 3436 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [1,1,0,0,0,0|1,0,1]=4 3437 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [1,1,0,0,0,0|1,0,1]=4 3438 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [1,1,0,0,0,0|1,0,1]=4 3439 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [1,1,0,0,0,0|1,0,1]=4 3440 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [1,1,0,0,0,0|1,0,1]=4 3441 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [1,1,0,0,0,0|1,0,1]=4 3442 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [1,1,0,0,0,0|1,0,1]=4 3443 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [1,1,0,0,0,0|1,0,1]=4 3444 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [1,1,0,0,0,0|1,0,1]=4 3445 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [1,1,0,0,0,0|1,0,1]=4 3446 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [1,1,0,0,0,0|1,0,1]=4 3447 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [1,1,0,0,0,0|1,0,1]=4 3448 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [1,1,0,0,0,0|1,0,1]=4 3449 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 3450 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 3451 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [1,1,0,0,0,0|1,0,1]=4 3452 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [1,1,0,0,0,0|1,0,1]=4 3453 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [1,1,0,0,0,0|1,0,1]=4 3454 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [1,1,0,0,0,0|1,0,1]=4 3455 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [1,1,0,0,0,0|2,0,0]=4 3456 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [1,1,0,0,0,0|2,0,0]=4 3457 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,1]=4 3458 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,1]=4 3459 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [1,1,0,0,0,0|1,0,1]=4 3460 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [1,1,0,0,0,0|1,0,1]=4 3461 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [1,1,0,0,0,0|1,0,1]=4 3462 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [1,1,0,0,0,0|1,0,1]=4 3463 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [1,1,0,0,0,0|1,0,1]=4 3464 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [1,1,0,0,0,0|1,0,1]=4 3465 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 3466 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 3467 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [1,1,0,0,0,0|1,0,1]=4 3468 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [1,1,0,0,0,0|1,0,1]=4 3469 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,1,0,0,0,0|2,0,0]=4 3470 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,1,0,0,0,0|2,0,0]=4 3471 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,1,0,0,0,0|2,0,0]=4 3472 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 3473 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 3474 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [1,1,0,0,0,0|1,0,1]=4 3475 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [1,1,0,0,0,0|2,0,0]=4 3476 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [1,1,0,0,0,0|1,0,1]=4 3477 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [1,1,0,0,0,0|1,0,1]=4 3478 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [1,1,0,0,0,0|1,0,1]=4 3479 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [1,1,0,0,0,0|1,0,1]=4 3480 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [1,1,0,0,0,0|1,0,1]=4 3481 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [1,1,0,0,0,0|1,0,1]=4 3482 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [1,1,0,0,0,0|1,0,1]=4 3483 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [1,1,0,0,0,0|1,0,1]=4 3484 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [1,1,0,0,0,0|1,0,1]=4 3485 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [1,1,0,0,0,0|1,0,1]=4 3486 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [1,1,0,0,0,0|1,0,1]=4 3487 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [1,1,0,0,0,0|1,0,1]=4 3488 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [1,1,0,0,0,0|1,0,1]=4 3489 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [1,1,0,0,0,0|1,0,1]=4 3490 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [1,1,0,0,0,0|1,0,1]=4 3491 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [1,1,0,0,0,0|1,0,1]=4 3492 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [1,1,0,0,0,0|1,0,1]=4 3493 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3494 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,1,0,0,0,0|2,0,0]=4 3495 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [1,1,0,0,0,0|1,0,1]=4 3496 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [1,1,0,0,0,0|1,0,1]=4 3497 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [1,1,0,0,0,0|1,0,1]=4 3498 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [1,1,0,0,0,0|1,0,1]=4 3499 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [1,1,0,0,0,0|1,0,1]=4 3500 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 3501 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 3502 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [1,1,0,0,0,0|1,0,1]=4 3503 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [1,1,0,0,0,0|1,0,1]=4 3504 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [1,1,0,0,0,0|1,0,1]=4 3505 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [1,1,0,0,0,0|1,0,1]=4 3506 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [1,1,0,0,0,0|1,0,1]=4 3507 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [1,1,0,0,0,0|1,0,1]=4 3508 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,1]=4 3509 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [1,1,0,0,0,0|1,0,1]=4 3510 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [1,1,0,0,0,0|1,0,1]=4 3511 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [1,1,0,0,0,0|1,0,1]=4 3512 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [1,1,0,0,0,0|1,0,1]=4 3513 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [1,1,0,0,0,0|1,0,1]=4 3514 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [1,1,0,0,0,0|1,0,1]=4 3515 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,1]=4 3516 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [1,1,0,0,0,0|1,0,1]=4 3517 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [1,1,0,0,0,0|1,0,1]=4 3518 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [1,1,0,0,0,0|1,0,1]=4 3519 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [1,1,0,0,0,0|1,0,1]=4 3520 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3521 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,1,0,0,0,0|2,0,0]=4 3522 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|0,0,2]=4 3523 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|0,0,2]=4 3524 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [1,1,0,0,0,0|1,0,1]=4 3525 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [1,1,0,0,0,0|1,0,1]=4 3526 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [1,1,0,0,0,0|1,0,1]=4 3527 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [1,1,0,0,0,0|1,0,1]=4 3528 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [1,1,0,0,0,0|1,0,1]=4 3529 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [1,1,0,0,0,0|1,0,1]=4 3530 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [1,1,0,0,0,0|1,0,1]=4 3531 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [1,1,0,0,0,0|1,0,1]=4 3532 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [1,1,0,0,0,0|1,0,1]=4 3533 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [1,1,0,0,0,0|1,0,1]=4 3534 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [1,1,0,0,0,0|1,0,1]=4 3535 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [1,1,0,0,0,0|1,0,1]=4 3536 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [1,1,0,0,0,0|1,0,1]=4 3537 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,1,0,0,0,0|1,0,1]=4 3538 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,1,0,0,0,0|1,0,1]=4 3539 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,1,0,0,0,0|1,0,1]=4 3540 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,1,0,0,0,0|1,0,1]=4 3541 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,1,0,0,0,0|1,0,1]=4 3542 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,1,0,0,0,0|1,0,1]=4 3543 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [1,1,0,0,0,0|1,0,1]=4 3544 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [1,1,0,0,0,0|1,0,1]=4 3545 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [1,1,0,0,0,0|1,0,1]=4 3546 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [1,1,0,0,0,0|1,0,1]=4 3547 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [1,1,0,0,0,0|1,0,1]=4 3548 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [1,1,0,0,0,0|1,0,1]=4 3549 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [1,1,0,0,0,0|1,0,1]=4 3550 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [1,1,0,0,0,0|1,0,1]=4 3551 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [1,1,0,0,0,0|1,0,1]=4 3552 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [1,1,0,0,0,0|1,0,1]=4 3553 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [1,1,0,0,0,0|1,0,1]=4 3554 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [1,1,0,0,0,0|1,0,1]=4 3555 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [1,1,0,0,0,0|1,0,1]=4 3556 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [1,1,0,0,0,0|1,0,1]=4 3557 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [1,1,0,0,0,0|1,0,1]=4 3558 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [1,1,0,0,0,0|1,0,1]=4 3559 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [1,1,0,0,0,0|1,0,1]=4 3560 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [1,1,0,0,0,0|1,0,1]=4 3561 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [1,1,0,0,0,0|1,0,1]=4 3562 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [1,1,0,0,0,0|1,0,1]=4 3563 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [1,1,0,0,0,0|1,0,1]=4 3564 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [1,1,0,0,0,0|1,0,1]=4 3565 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [1,1,0,0,0,0|1,0,1]=4 3566 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [1,1,0,0,0,0|1,0,1]=4 3567 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [1,1,0,0,0,0|1,0,1]=4 3568 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [1,1,0,0,0,0|1,0,1]=4 3569 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [1,1,0,0,0,0|1,0,1]=4 3570 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [1,1,0,0,0,0|1,0,1]=4 3571 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [1,1,0,0,0,0|1,0,1]=4 3572 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [1,1,0,0,0,0|1,0,1]=4 3573 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [1,1,0,0,0,0|1,0,1]=4 3574 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [1,1,0,0,0,0|0,0,2]=4 3575 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [1,1,0,0,0,0|0,0,2]=4 3576 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [1,1,0,0,0,0|0,0,2]=4 3577 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [1,1,0,0,0,0|1,0,1]=4 3578 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [1,1,0,0,0,0|1,0,1]=4 3579 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [1,1,0,0,0,0|1,0,1]=4 3580 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [1,1,0,0,0,0|1,0,1]=4 3581 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [1,1,0,0,0,0|1,0,1]=4 3582 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [1,1,0,0,0,0|1,0,1]=4 3583 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [1,1,0,0,0,0|1,0,1]=4 3584 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [1,1,0,0,0,0|1,0,1]=4 3585 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [1,1,0,0,0,0|1,0,1]=4 3586 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [1,1,0,0,0,0|1,0,1]=4 3587 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [1,1,0,0,0,0|1,0,1]=4 3588 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [1,1,0,0,0,0|1,0,1]=4 3589 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [1,1,0,0,0,0|1,0,1]=4 3590 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [1,1,0,0,0,0|1,0,1]=4 3591 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [1,1,0,0,0,0|1,0,1]=4 3592 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [1,1,0,0,0,0|1,0,1]=4 3593 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [1,1,0,0,0,0|1,0,1]=4 3594 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [1,1,0,0,0,0|1,0,1]=4 3595 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [1,1,0,0,0,0|1,0,1]=4 3596 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [1,1,0,0,0,0|1,0,1]=4 3597 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [1,1,0,0,0,0|1,0,1]=4 3598 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [1,1,0,0,0,0|1,0,1]=4 3599 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [1,1,0,0,0,0|1,0,1]=4 3600 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [1,1,0,0,0,0|1,0,1]=4 3601 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [1,1,0,0,0,0|1,0,1]=4 3602 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [1,1,0,0,0,0|1,0,1]=4 3603 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [1,1,0,0,0,0|1,0,1]=4 3604 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [1,1,0,0,0,0|1,0,1]=4 3605 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [1,1,0,0,0,0|1,0,1]=4 3606 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [1,1,0,0,0,0|1,0,1]=4 3607 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [1,1,0,0,0,0|1,0,1]=4 3608 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [1,1,0,0,0,0|1,0,1]=4 3609 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [1,1,0,0,0,0|1,0,1]=4 3610 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [1,1,0,0,0,0|1,0,1]=4 3611 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [1,1,0,0,0,0|1,0,1]=4 3612 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [1,1,0,0,0,0|1,0,1]=4 3613 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [1,1,0,0,0,0|1,0,1]=4 3614 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [1,1,0,0,0,0|1,0,1]=4 3615 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [1,1,0,0,0,0|1,0,1]=4 3616 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [1,1,0,0,0,0|1,0,1]=4 3617 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [1,1,0,0,0,0|1,0,1]=4 3618 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [1,1,0,0,0,0|1,0,1]=4 3619 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [1,1,0,0,0,0|1,0,1]=4 3620 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [1,1,0,0,0,0|1,0,1]=4 3621 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [1,1,0,0,0,0|1,0,1]=4 3622 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [1,1,0,0,0,0|1,0,1]=4 3623 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [1,1,0,0,0,0|1,0,1]=4 3624 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [1,1,0,0,0,0|1,0,1]=4 3625 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [1,1,0,0,0,0|1,0,1]=4 3626 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [1,1,0,0,0,0|1,0,1]=4 3627 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [1,1,0,0,0,0|1,0,1]=4 3628 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [1,1,0,0,0,0|1,0,1]=4 3629 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [1,1,0,0,0,0|1,0,1]=4 3630 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [1,1,0,0,0,0|1,0,1]=4 3631 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,1,0,0,0,0|0,0,1]=3 3632 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,1,0,0,0,0|0,0,1]=3 3633 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [1,1,0,0,0,0|1,0,1]=4 3634 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [1,1,0,0,0,0|1,0,1]=4 3635 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [1,1,0,0,0,0|1,0,1]=4 3636 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [1,1,0,0,0,0|1,0,1]=4 3637 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [1,1,0,0,0,0|1,0,1]=4 3638 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [1,1,0,0,0,0|1,0,1]=4 3639 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [1,1,0,0,0,0|1,0,1]=4 3640 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [1,1,0,0,0,0|1,0,1]=4 3641 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [1,1,0,0,0,0|1,0,1]=4 3642 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 3643 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 3644 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 3645 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 3646 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [1,1,0,0,0,0|1,0,0]=3 3647 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [1,1,0,0,0,0|1,0,0]=3 3648 B10R0.1 C=CCC(C)COCCCF 34a_100009832082_100011934791 [1,1,0,0,0,0|2,0,0]=4 3649 B10R0.1 C=CCC(C)COCCCF 7a_100009832082_100011934791 [1,1,0,0,0,0|2,0,0]=4 3650 B10R0.1 C=CCC(C)COCCCO 34a_100009832082_100000230001 [1,1,0,0,0,0|2,0,0]=4 3651 B10R0.1 C=CCC(C)COCCCO 7a_100009832082_100011215043 [1,1,0,0,0,0|2,0,0]=4 3652 B10R0.1 C=CCC(C)COCCOC 34a_100009832082_100011201679 [1,1,0,0,0,0|2,0,0]=4 3653 B10R0.1 C=CCC(C)COCCOC 7a_100009832082_100000233755 [1,1,0,0,0,0|2,0,0]=4 3654 B10R0.1 C=CCC(C)COCCSC 34a_100009832082_100000212216 [1,1,0,0,0,0|2,0,0]=4 3655 B10R0.1 C=CCC(C)COCCSC 7a_100009832082_100000212216 [1,1,0,0,0,0|2,0,0]=4 3656 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|0,0,1]=3 3657 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|0,0,1]=3 3658 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [1,1,0,0,0,0|1,0,1]=4 3659 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [1,1,0,0,0,0|1,0,1]=4 3660 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [1,1,0,0,0,0|1,0,1]=4 3661 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [1,1,0,0,0,0|1,0,1]=4 3662 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [1,1,0,0,0,0|1,0,1]=4 3663 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 3664 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 3665 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 3666 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [1,1,0,0,0,0|1,0,0]=3 3667 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [1,1,0,0,0,0|1,0,0]=3 3668 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [1,1,0,0,0,0|1,0,0]=3 3669 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [1,1,0,0,0,0|1,0,0]=3 3670 B10R0.1 C=CCCCCN(C)CCF 2230a_100012000471_100011217306 [1,1,0,0,0,0|2,0,0]=4 3671 B10R0.1 C=CCCCCN(C)CCF 269982a_100012000471_100011217306 [1,1,0,0,0,0|2,0,0]=4 3672 B10R0.1 C=CCCCCN(C)CCO 2230a_100000210263_100011215482 [1,1,0,0,0,0|2,0,0]=4 3673 B10R0.1 C=CCCCCN(C)CCO 2230a_100012000471_100000211926 [1,1,0,0,0,0|2,0,0]=4 3674 B10R0.1 C=CCCCCN(C)CCO 269982a_100000210263_100011215482 [1,1,0,0,0,0|2,0,0]=4 3675 B10R0.1 C=CCCCCN(C)CCO 269982a_100012000471_100000211926 [1,1,0,0,0,0|2,0,0]=4 3676 B10R0.1 C=CCCCCN(C)COC 2230a_100012000471_100000766300 [1,1,0,0,0,0|2,0,0]=4 3677 B10R0.1 C=CCCCCN(C)COC 269982a_100012000471_100000766300 [1,1,0,0,0,0|2,0,0]=4 3678 B10R0.1 C=CCCCCN(C)CSC 2230a_100012000471_100011218213 [1,1,0,0,0,0|2,0,0]=4 3679 B10R0.1 C=CCCCCN(C)CSC 269982a_100012000471_100011218213 [1,1,0,0,0,0|2,0,0]=4 3680 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 3681 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 3682 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 3683 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 3684 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [1,1,0,0,0,0|1,0,0]=3 3685 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [1,1,0,0,0,0|1,0,0]=3 3686 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [1,1,0,0,0,0|1,0,0]=3 3687 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [1,1,0,0,0,0|1,0,0]=3 3688 B10R0.1 C=CCCCNC(C)CCO 2230a_100000700776_100009893172 [1,1,0,0,0,0|2,0,0]=4 3689 B10R0.1 C=CCCCNC(C)CCO 34a_100000700776_100009893172 [1,1,0,0,0,0|2,0,0]=4 3690 B10R0.1 C=CCCCNC(C)COC 2230a_100000700776_100000765312 [1,1,0,0,0,0|2,0,0]=4 3691 B10R0.1 C=CCCCNC(C)COC 270004a_100000700776_100000749346 [1,1,0,0,0,0|2,0,0]=4 3692 B10R0.1 C=CCCCNC(C)COC 34a_100000700776_100000765312 [1,1,0,0,0,0|2,0,0]=4 3693 B10R0.1 C=CCCCNC(C)CSC 270004a_100000700776_100011216314 [1,1,0,0,0,0|2,0,0]=4 3694 B10R0.1 C=CCCCN[C@H](C)CCO 2230a_100000706166_100011713584 [1,1,0,0,0,0|2,0,0]=4 3695 B10R0.1 C=CCCCN[C@H](C)CCO 34a_100000706166_100000757094 [1,1,0,0,0,0|2,0,0]=4 3696 B10R0.1 C=CCCCN[C@H](C)COC 2230a_100000764878_100011713584 [1,1,0,0,0,0|2,0,0]=4 3697 B10R0.1 C=CCCCOC(C)CCBr 34a_100012276601_100000757094 [1,1,0,0,0,0|2,0,0]=4 3698 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [1,1,0,0,0,0|1,0,0]=3 3699 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [1,1,0,0,0,0|1,0,0]=3 3700 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [1,1,0,0,0,0|1,0,0]=3 3701 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [1,1,0,0,0,0|1,0,0]=3 3702 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [1,1,0,0,0,0|2,0,0]=4 3703 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [1,1,0,0,0,0|2,0,0]=4 3704 B10R0.1 C=CCCCOC(C)COC 34a_100000758997_100000765312 [1,1,0,0,0,0|2,0,0]=4 3705 B10R0.1 C=CCCCOC(C)COC 7a_100000758997_100000765312 [1,1,0,0,0,0|2,0,0]=4 3706 B10R0.1 C=CCCCO[C@H](C)COC 34a_100011934205_100000757094 [1,1,0,0,0,0|2,0,0]=4 3707 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [1,1,0,0,0,0|1,0,0]=3 3708 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [1,1,0,0,0,0|1,0,0]=3 3709 B10R0.1 C=CCCCSC(C)CCO 62a_100009893172_100000757094 [1,1,0,0,0,0|2,0,0]=4 3710 B10R0.1 C=CCCCSC(C)CCO 62a_100011713584_100009893172 [1,1,0,0,0,0|2,0,0]=4 3711 B10R0.1 C=CCCCSC(C)COC 62a_100000765312_100000757094 [1,1,0,0,0,0|2,0,0]=4 3712 B10R0.1 C=CCCCSC(C)COC 62a_100011713584_100000765312 [1,1,0,0,0,0|2,0,0]=4 3713 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [1,1,0,0,0,0|1,0,1]=4 3714 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [1,1,0,0,0,0|1,0,0]=3 3715 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [1,1,0,0,0,0|1,0,0]=3 3716 B10R0.1 C=CCCNCC(O)COC 2230a_100000756049_100000754431 [1,1,0,0,0,0|2,0,0]=4 3717 B10R0.1 C=CCCNCC(O)COC 34a_100000756049_100000754431 [1,1,0,0,0,0|2,0,0]=4 3718 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [1,1,0,0,0,0|1,0,0]=3 3719 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [1,1,0,0,0,0|1,0,0]=3 3720 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [1,1,0,0,0,0|1,0,0]=3 3721 B10R0.1 C=CCCOCC(C)CCN 34a_106354213184_100000754431 [1,1,0,0,0,0|2,0,0]=4 3722 B10R0.1 C=CCCOCC(N)COC 34a_100000724102_100000754431 [1,1,0,0,0,0|2,0,0]=4 3723 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [1,1,0,0,0,0|2,0,0]=4 3724 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [1,1,0,0,0,0|1,0,0]=3 3725 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [1,1,0,0,0,0|1,0,1]=4 3726 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [1,1,0,0,0,0|1,0,1]=4 3727 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [1,1,0,0,0,0|1,0,0]=3 3728 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [1,1,0,0,0,0|1,0,0]=3 3729 B10R0.1 C=CCCSCC(O)COC 62a_100000754431_100011215053 [1,1,0,0,0,0|2,0,0]=4 3730 B10R0.1 C=CCCSCC(O)COC 62a_100011215053_100000754431 [1,1,0,0,0,0|2,0,0]=4 3731 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [1,1,0,0,0,0|1,0,0]=3 3732 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [1,1,0,0,0,0|1,0,0]=3 3733 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [1,1,0,0,0,0|1,0,0]=3 3734 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [1,1,0,0,0,0|1,0,0]=3 3735 B10R0.1 C=CCN(C)CCCCCF 2230a_100000225617_100000729378 [1,1,0,0,0,0|2,0,0]=4 3736 B10R0.1 C=CCN(C)CCCCCF 269982a_100000225617_100000729378 [1,1,0,0,0,0|2,0,0]=4 3737 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [1,1,0,0,0,0|2,0,0]=4 3738 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [1,1,0,0,0,0|2,0,0]=4 3739 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [1,1,0,0,0,0|2,0,0]=4 3740 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [1,1,0,0,0,0|2,0,0]=4 3741 B10R0.1 C=CCN(C)CCCCOC 2230a_100000225617_100000730899 [1,1,0,0,0,0|2,0,0]=4 3742 B10R0.1 C=CCN(C)CCCCOC 269982a_100000225617_100000730899 [1,1,0,0,0,0|2,0,0]=4 3743 B10R0.1 C=CCN(C)CCCOCC 2230a_100000225617_100012232248 [1,1,0,0,0,0|2,0,0]=4 3744 B10R0.1 C=CCN(C)CCCOCC 269982a_100000225617_100012232248 [1,1,0,0,0,0|2,0,0]=4 3745 B10R0.1 C=CCN(C)CCOCCC 2230a_100000225617_100011215938 [1,1,0,0,0,0|2,0,0]=4 3746 B10R0.1 C=CCN(C)CCOCCC 269982a_100000225617_100011215938 [1,1,0,0,0,0|2,0,0]=4 3747 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [1,1,0,0,0,0|2,0,0]=4 3748 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [1,1,0,0,0,0|2,0,0]=4 3749 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [1,1,0,0,0,0|1,0,1]=4 3750 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [1,1,0,0,0,0|1,0,0]=3 3751 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [1,1,0,0,0,0|1,0,0]=3 3752 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [1,1,0,0,0,0|1,0,0]=3 3753 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [1,1,0,0,0,0|1,0,0]=3 3754 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [1,1,0,0,0,0|1,0,0]=3 3755 B10R0.1 C=CC[C@@H](C)OCCCCF 34a_100000731007_100000729493 [1,1,0,0,0,0|2,0,0]=4 3756 B10R0.1 C=CC[C@@H](C)OCCCCF 7a_100000731007_100000729493 [1,1,0,0,0,0|2,0,0]=4 3757 B10R0.1 C=CC[C@@H](C)OCCCCO 34a_100000731007_100011216708 [1,1,0,0,0,0|2,0,0]=4 3758 B10R0.1 C=CC[C@@H](C)OCCCCO 7a_100000731007_100000210776 [1,1,0,0,0,0|2,0,0]=4 3759 B10R0.1 C=CC[C@@H](C)OCCCOC 34a_100000731007_100000740836 [1,1,0,0,0,0|2,0,0]=4 3760 B10R0.1 C=CC[C@@H](C)OCCCOC 7a_100000731007_100000740836 [1,1,0,0,0,0|2,0,0]=4 3761 B10R0.1 C=CC[C@@H](C)OCCOCC 34a_100000731007_100000210147 [1,1,0,0,0,0|2,0,0]=4 3762 B10R0.1 C=CC[C@@H](C)OCCOCC 7a_100000731007_100011215890 [1,1,0,0,0,0|2,0,0]=4 3763 B10R0.1 C=CC[C@@H](C)OCCSCC 34a_100000731007_100000757381 [1,1,0,0,0,0|2,0,0]=4 3764 B10R0.1 C=CC[C@@H](C)OCCSCC 7a_100000731007_100000757381 [1,1,0,0,0,0|2,0,0]=4 3765 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [1,1,0,0,0,0|1,0,0]=3 3766 B10R0.1 C=CC[C@@H](N)COCCCF 34a_100020615467_100011934791 [1,1,0,0,0,0|2,0,0]=4 3767 B10R0.1 C=CC[C@@H](N)COCCCO 34a_100020615467_100000230001 [1,1,0,0,0,0|2,0,0]=4 3768 B10R0.1 C=CC[C@@H](N)COCCOC 34a_100020615467_100011201679 [1,1,0,0,0,0|2,0,0]=4 3769 B10R0.1 C=CC[C@@H](N)COCCSC 34a_100020615467_100000212216 [1,1,0,0,0,0|2,0,0]=4 3770 B10R0.1 C=COCCNC(C)CCC 2230a_100000741246_100000039644 [1,1,0,0,0,0|2,0,0]=4 3771 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [1,1,0,0,0,0|2,0,0]=4 3772 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [1,1,0,0,0,0|2,0,0]=4 3773 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [1,1,0,0,0,0|2,0,0]=4 3774 B10R0.1 C=COCCSC(C)CCC 62a_100000039644_100000766640 [1,1,0,0,0,0|2,0,0]=4 3775 B10R0.1 C=COCCSC(C)CCC 62a_100000766640_100000039644 [1,1,0,0,0,0|2,0,0]=4 3776 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,1,0,0,0,0|2,0,0]=4 3777 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,1,0,0,0,0|2,0,0]=4 3778 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [1,1,0,0,0,0|2,0,0]=4 3779 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [1,1,0,0,0,0|2,0,0]=4 3780 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [1,1,0,0,0,0|2,0,0]=4 3781 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [1,1,0,0,0,0|2,0,0]=4 3782 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [1,1,0,0,0,0|2,0,0]=4 3783 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [1,1,0,0,0,0|2,0,0]=4 3784 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [1,1,0,0,0,0|2,0,0]=4 3785 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [1,1,0,0,0,0|2,0,0]=4 3786 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|2,0,0]=4 3787 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,1,0,0,0,0|0,0,2]=4 3788 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,1,0,0,0,0|0,0,2]=4 3789 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,1,0,0,0,0|0,0,2]=4 3790 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,1,0,0,0,0|0,0,2]=4 3791 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,1,0,0,0,0|0,0,2]=4 3792 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,1,0,0,0,0|0,0,2]=4 3793 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,1,0,0,0,0|0,0,2]=4 3794 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,1,0,0,0,0|0,0,2]=4 3795 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,1,0,0,0,0|0,0,2]=4 3796 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,1,0,0,0,0|0,0,2]=4 3797 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,1,0,0,0,0|0,0,2]=4 3798 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,1,0,0,0,0|0,0,2]=4 3799 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,1,0,0,0,0|0,0,2]=4 3800 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 3801 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,1,0,0,0,0|0,0,2]=4 3802 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 3803 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,1,0,0,0,0|0,0,2]=4 3804 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,1,0,0,0,0|0,0,2]=4 3805 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [1,1,0,0,0,0|0,0,2]=4 3806 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [1,1,0,0,0,0|0,0,2]=4 3807 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [1,1,0,0,0,0|0,0,2]=4 3808 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [1,1,0,0,0,0|0,0,2]=4 3809 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,1,0,0,0,0|0,0,2]=4 3810 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,1,0,0,0,0|0,0,2]=4 3811 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,1,0,0,0,0|0,0,2]=4 3812 B10R0.71 C#CCCCCCSCC=C 62a_100000210623_100012094781 [1,1,0,0,0,0|0,0,2]=4 3813 B10R0.71 C#CCCCCCSCC=C 62a_100012094781_100000210623 [1,1,0,0,0,0|0,0,2]=4 3814 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,1,0,0,0,0|0,0,2]=4 3815 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,1,0,0,0,0|0,0,2]=4 3816 B10R0.71 C#CCCCCNCCC=C 2230a_100000706060_100000754431 [1,1,0,0,0,0|0,0,2]=4 3817 B10R0.71 C#CCCCCNCCC=C 2230a_100015191253_100010269958 [1,1,0,0,0,0|0,0,2]=4 3818 B10R0.71 C#CCCCCNCCC=C 34a_100000706060_100000754431 [1,1,0,0,0,0|0,0,2]=4 3819 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,1,0,0,0,0|0,0,2]=4 3820 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,1,0,0,0,0|0,0,2]=4 3821 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,1,0,0,0,0|0,0,2]=4 3822 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,1,0,0,0,0|0,0,2]=4 3823 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [1,1,0,0,0,0|0,0,2]=4 3824 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [1,1,0,0,0,0|0,0,2]=4 3825 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [1,1,0,0,0,0|0,0,2]=4 3826 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,1,0,0,0,0|0,0,2]=4 3827 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,1,0,0,0,0|0,0,2]=4 3828 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,1,0,0,0,0|0,0,2]=4 3829 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,1,0,0,0,0|0,0,2]=4 3830 B10R0.71 C#CCCCCSCCC=C 62a_100000754431_100010269958 [1,1,0,0,0,0|0,0,2]=4 3831 B10R0.71 C#CCCCCSCCC=C 62a_100010269958_100000754431 [1,1,0,0,0,0|0,0,2]=4 3832 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,1,0,0,0,0|0,0,2]=4 3833 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,1,0,0,0,0|0,0,2]=4 3834 B10R0.71 C#CCCCNCCCC=C 2230a_100000700776_100000731252 [1,1,0,0,0,0|0,0,2]=4 3835 B10R0.71 C#CCCCNCCCC=C 34a_100000700776_100000695029 [1,1,0,0,0,0|0,0,2]=4 3836 B10R0.71 C#CCCCNCCCC=C 34a_100000718082_100000757094 [1,1,0,0,0,0|0,0,2]=4 3837 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,1,0,0,0,0|0,0,2]=4 3838 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,1,0,0,0,0|0,0,2]=4 3839 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [1,1,0,0,0,0|0,0,2]=4 3840 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [1,1,0,0,0,0|0,0,2]=4 3841 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [1,1,0,0,0,0|0,0,2]=4 3842 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [1,1,0,0,0,0|0,0,2]=4 3843 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,1,0,0,0,0|0,0,2]=4 3844 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,1,0,0,0,0|0,0,2]=4 3845 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,1,0,0,0,0|0,0,2]=4 3846 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,1,0,0,0,0|0,0,2]=4 3847 B10R0.71 C#CCCCSCCCC=C 62a_100011215417_100000757094 [1,1,0,0,0,0|0,0,2]=4 3848 B10R0.71 C#CCCCSCCCC=C 62a_100011713584_100011215417 [1,1,0,0,0,0|0,0,2]=4 3849 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,1,0,0,0,0|0,0,2]=4 3850 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,1,0,0,0,0|0,0,2]=4 3851 B10R0.71 C#CCCNCCCCC=C 2230a_100000703577_100000688953 [1,1,0,0,0,0|0,0,2]=4 3852 B10R0.71 C#CCCNCCCCC=C 34a_100000703577_100000688953 [1,1,0,0,0,0|0,0,2]=4 3853 B10R0.71 C#CCCNCCCCC=C 34a_100000755551_100011215482 [1,1,0,0,0,0|0,0,2]=4 3854 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,1,0,0,0,0|0,0,2]=4 3855 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,1,0,0,0,0|0,0,2]=4 3856 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [1,1,0,0,0,0|0,0,2]=4 3857 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [1,1,0,0,0,0|0,0,2]=4 3858 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [1,1,0,0,0,0|0,0,2]=4 3859 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,1,0,0,0,0|0,0,2]=4 3860 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,1,0,0,0,0|0,0,2]=4 3861 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,1,0,0,0,0|0,0,2]=4 3862 B10R0.71 C#CCCSCCCCC=C 62a_100000688953_100011215482 [1,1,0,0,0,0|0,0,2]=4 3863 B10R0.71 C#CCCSCCCCC=C 62a_100011215482_100000688953 [1,1,0,0,0,0|0,0,2]=4 3864 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,1,0,0,0,0|0,0,2]=4 3865 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,1,0,0,0,0|0,0,2]=4 3866 B10R0.71 C#CCNCCCCCC=C 34a_100000212058_100000700193 [1,1,0,0,0,0|0,0,2]=4 3867 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,1,0,0,0,0|0,0,2]=4 3868 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,1,0,0,0,0|0,0,2]=4 3869 B10R0.71 C#CCOCCCCCC=C 34a_100000210247_100000700193 [1,1,0,0,0,0|0,0,2]=4 3870 B10R0.71 C#CCOCCCCCC=C 34a_100011216702_100000184674 [1,1,0,0,0,0|0,0,2]=4 3871 B10R0.71 C#CCOCCCCCC=C 7a_100011216702_100000038162 [1,1,0,0,0,0|0,0,2]=4 3872 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,1,0,0,0,0|0,0,2]=4 3873 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,1,0,0,0,0|0,0,2]=4 3874 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,1,0,0,0,0|0,0,2]=4 3875 B10R0.71 C#CCSCCCCCC=C 62a_100000038162_100000700193 [1,1,0,0,0,0|0,0,2]=4 3876 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,1,0,0,0,0|0,0,2]=4 3877 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|1,0,0]=3 3878 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,1,0,0,0,0|2,0,0]=4 3879 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,1,0,0,0,0|2,0,0]=4 3880 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,1,0,0,0,0|2,0,0]=4 3881 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,1,0,0,0,0|2,0,0]=4 3882 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,1,0,0,0,0|2,0,0]=4 3883 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,1,0,0,0,0|2,0,0]=4 3884 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,1,0,0,0,0|2,0,0]=4 3885 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,1,0,0,0,0|2,0,0]=4 3886 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,1,0,0,0,0|2,0,0]=4 3887 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,1,0,0,0,0|2,0,0]=4 3888 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|1,0,0]=3 3889 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|1,0,0]=3 3890 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|1,0,0]=3 3891 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 3892 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 3893 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,1,0,0,0,0|2,0,0]=4 3894 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,1,0,0,0,0|2,0,0]=4 3895 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,1,0,0,0,0|2,0,0]=4 3896 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,1,0,0,0,0|2,0,0]=4 3897 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,1,0,0,0,0|2,0,0]=4 3898 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,1,0,0,0,0|2,0,0]=4 3899 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,1,0,0,0,0|2,0,0]=4 3900 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,1,0,0,0,0|2,0,0]=4 3901 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,1,0,0,0,0|2,0,0]=4 3902 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,1,0,0,0,0|2,0,0]=4 3903 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,1,0,0,0,0|2,0,0]=4 3904 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,1,0,0,0,0|2,0,0]=4 3905 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,1,0,0,0,0|2,0,0]=4 3906 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,1,0,0,0,0|2,0,0]=4 3907 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,1,0,0,0,0|2,0,0]=4 3908 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,1,0,0,0,0|2,0,0]=4 3909 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,1,0,0,0,0|2,0,0]=4 3910 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,1,0,0,0,0|2,0,0]=4 3911 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,1,0,0,0,0|2,0,0]=4 3912 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,1,0,0,0,0|2,0,0]=4 3913 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|1,0,0]=3 3914 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|1,0,0]=3 3915 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,1,0,0,0,0|2,0,0]=4 3916 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,1,0,0,0,0|2,0,0]=4 3917 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 3918 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,1,0,0,0,0|2,0,0]=4 3919 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,1,0,0,0,0|2,0,0]=4 3920 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,1,0,0,0,0|2,0,0]=4 3921 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,1,0,0,0,0|2,0,0]=4 3922 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,1,0,0,0,0|2,0,0]=4 3923 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,1,0,0,0,0|2,0,0]=4 3924 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,1,0,0,0,0|2,0,0]=4 3925 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,1,0,0,0,0|2,0,0]=4 3926 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,1,0,0,0,0|2,0,0]=4 3927 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [1,1,0,0,0,0|0,0,2]=4 3928 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [1,1,0,0,0,0|0,0,2]=4 3929 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [1,1,0,0,0,0|1,0,1]=4 3930 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,1,0,0,0,0|0,0,0]=2 3931 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,1,0,0,0,0|0,0,0]=2 3932 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,1,0,0,0,0|0,0,0]=2 3933 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,1,0,0,0,0|0,0,0]=2 3934 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,1,0,0,0,0|0,0,0]=2 3935 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,1,0,0,0,0|0,0,0]=2 3936 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,1,0,0,0,0|0,0,0]=2 3937 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,1,0,0,0,0|0,0,0]=2 3938 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,1,0,0,0,0|0,0,0]=2 3939 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,1,0,0,0,0|0,0,0]=2 3940 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,1,0,0,0,0|0,0,0]=2 3941 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,1,0,0,0,0|0,0,0]=2 3942 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,1,0,0,0,0|0,0,0]=2 3943 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,1,0,0,0,0|0,0,0]=2 3944 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,1,0,0,0,0|0,0,0]=2 3945 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,1,0,0,0,0|0,0,0]=2 3946 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,1,0,0,0,0|1,0,0]=3 3947 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,1,0,0,0,0|1,0,0]=3 3948 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,1,0,0,0,0|0,0,0]=2 3949 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,1,0,0,0,0|0,0,0]=2 3950 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,1,0,0,0,0|1,0,0]=3 3951 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,1,0,0,0,0|1,0,0]=3 3952 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [1,1,0,0,0,0|0,0,2]=4 3953 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,1,0,0,0,0|1,0,0]=3 3954 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,1,0,0,0,0|1,0,0]=3 3955 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,1,0,0,0,0|1,0,0]=3 3956 B10R0.71 C=CCCCCCOCC#N 7a_100011216702_100011215382 [1,1,0,0,0,0|1,0,1]=4 3957 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [1,1,0,0,0,0|0,0,2]=4 3958 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [1,1,0,0,0,0|0,0,2]=4 3959 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [1,1,0,0,0,0|0,0,2]=4 3960 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,1,0,0,0,0|1,0,1]=4 3961 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,1,0,0,0,0|1,0,1]=4 3962 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,1,0,0,0,0|1,0,0]=3 3963 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,1,0,0,0,0|0,0,0]=2 3964 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,1,0,0,0,0|0,0,0]=2 3965 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,1,0,0,0,0|0,0,0]=2 3966 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,1,0,0,0,0|1,0,0]=3 3967 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,1,0,0,0,0|1,0,0]=3 3968 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,1,0,0,0,0|1,0,0]=3 3969 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,1,0,0,0,0|1,0,0]=3 3970 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,1,0,0,0,0|1,0,0]=3 3971 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,1,0,0,0,0|1,0,0]=3 3972 B10R0.71 C=CCCCCCSCC#N 62a_100000700193_100011215382 [1,1,0,0,0,0|1,0,1]=4 3973 B10R0.71 C=CCCCCCSCC#N 62a_100011215382_100000700193 [1,1,0,0,0,0|1,0,1]=4 3974 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [1,1,0,0,0,0|0,0,2]=4 3975 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [1,1,0,0,0,0|0,0,2]=4 3976 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,1,0,0,0,0|1,0,1]=4 3977 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,1,0,0,0,0|1,0,1]=4 3978 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,1,0,0,0,0|0,0,0]=2 3979 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,1,0,0,0,0|0,0,0]=2 3980 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,1,0,0,0,0|1,0,0]=3 3981 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,1,0,0,0,0|1,0,0]=3 3982 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,1,0,0,0,0|1,0,0]=3 3983 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,1,0,0,0,0|1,0,0]=3 3984 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,1,0,0,0,0|1,0,0]=3 3985 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,1,0,0,0,0|1,0,0]=3 3986 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,1,0,0,0,0|1,0,0]=3 3987 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,1,0,0,0,0|1,0,0]=3 3988 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [1,1,0,0,0,0|0,0,2]=4 3989 B10R0.71 C=CCCCCNCC#CC 2230a_100000685387_100011215482 [1,1,0,0,0,0|0,0,2]=4 3990 B10R0.71 C=CCCCCNCC#CC 2230a_100000703577_100000748600 [1,1,0,0,0,0|0,0,2]=4 3991 B10R0.71 C=CCCCCNCC#CC 34a_100000685387_100011215482 [1,1,0,0,0,0|0,0,2]=4 3992 B10R0.71 C=CCCCCNCC#CC 34a_100000703577_100000748600 [1,1,0,0,0,0|0,0,2]=4 3993 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [1,1,0,0,0,0|0,0,2]=4 3994 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [1,1,0,0,0,0|0,0,2]=4 3995 B10R0.71 C=CCCCCNCCC#N 2230a_100000703577_100011215226 [1,1,0,0,0,0|1,0,1]=4 3996 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [1,1,0,0,0,0|0,0,2]=4 3997 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [1,1,0,0,0,0|0,0,2]=4 3998 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [1,1,0,0,0,0|0,0,2]=4 3999 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,1,0,0,0,0|0,0,0]=2 4000 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,1,0,0,0,0|0,0,0]=2 4001 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,1,0,0,0,0|0,0,0]=2 4002 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,1,0,0,0,0|0,0,0]=2 4003 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,1,0,0,0,0|1,0,0]=3 4004 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,1,0,0,0,0|1,0,0]=3 4005 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,1,0,0,0,0|1,0,0]=3 4006 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,1,0,0,0,0|1,0,0]=3 4007 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,1,0,0,0,0|1,0,0]=3 4008 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,1,0,0,0,0|1,0,0]=3 4009 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,1,0,0,0,0|1,0,0]=3 4010 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,1,0,0,0,0|1,0,0]=3 4011 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,1,0,0,0,0|1,0,0]=3 4012 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,1,0,0,0,0|1,0,0]=3 4013 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,1,0,0,0,0|1,0,0]=3 4014 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,1,0,0,0,0|1,0,0]=3 4015 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [1,1,0,0,0,0|0,0,2]=4 4016 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [1,1,0,0,0,0|0,0,2]=4 4017 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [1,1,0,0,0,0|0,0,2]=4 4018 B10R0.71 C=CCCCCOCC#CC 34a_100000761923_100011215482 [1,1,0,0,0,0|0,0,2]=4 4019 B10R0.71 C=CCCCCOCC#CC 34a_100000766645_100000748600 [1,1,0,0,0,0|0,0,2]=4 4020 B10R0.71 C=CCCCCOCC#CC 7a_100000766645_100000748600 [1,1,0,0,0,0|0,0,2]=4 4021 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [1,1,0,0,0,0|0,0,2]=4 4022 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [1,1,0,0,0,0|0,0,2]=4 4023 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [1,1,0,0,0,0|1,0,1]=4 4024 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [1,1,0,0,0,0|0,0,2]=4 4025 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [1,1,0,0,0,0|0,0,2]=4 4026 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [1,1,0,0,0,0|0,0,2]=4 4027 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,1,0,0,0,0|1,0,0]=3 4028 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,1,0,0,0,0|0,0,0]=2 4029 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,1,0,0,0,0|0,0,0]=2 4030 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,1,0,0,0,0|0,0,0]=2 4031 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,1,0,0,0,0|0,0,0]=2 4032 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,1,0,0,0,0|1,0,0]=3 4033 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,1,0,0,0,0|1,0,0]=3 4034 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,1,0,0,0,0|1,0,0]=3 4035 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,1,0,0,0,0|1,0,0]=3 4036 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,1,0,0,0,0|1,0,0]=3 4037 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,1,0,0,0,0|1,0,0]=3 4038 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,1,0,0,0,0|1,0,0]=3 4039 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,1,0,0,0,0|1,0,0]=3 4040 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,1,0,0,0,0|1,0,0]=3 4041 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,1,0,0,0,0|1,0,0]=3 4042 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [1,1,0,0,0,0|2,0,0]=4 4043 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,1,0,0,0,0|1,0,0]=3 4044 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,1,0,0,0,0|1,0,0]=3 4045 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,1,0,0,0,0|1,0,0]=3 4046 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,1,0,0,0,0|1,0,0]=3 4047 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [1,1,0,0,0,0|0,0,2]=4 4048 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [1,1,0,0,0,0|0,0,2]=4 4049 B10R0.71 C=CCCCCSCC#CC 62a_100000748600_100011215482 [1,1,0,0,0,0|0,0,2]=4 4050 B10R0.71 C=CCCCCSCC#CC 62a_100011215482_100000748600 [1,1,0,0,0,0|0,0,2]=4 4051 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [1,1,0,0,0,0|0,0,2]=4 4052 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [1,1,0,0,0,0|0,0,2]=4 4053 B10R0.71 C=CCCCCSCCC#N 62a_100011215226_100011215482 [1,1,0,0,0,0|1,0,1]=4 4054 B10R0.71 C=CCCCCSCCC#N 62a_100011215482_100011215226 [1,1,0,0,0,0|1,0,1]=4 4055 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [1,1,0,0,0,0|0,0,2]=4 4056 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [1,1,0,0,0,0|0,0,2]=4 4057 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,1,0,0,0,0|0,0,0]=2 4058 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,1,0,0,0,0|0,0,0]=2 4059 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,1,0,0,0,0|1,0,0]=3 4060 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,1,0,0,0,0|1,0,0]=3 4061 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,1,0,0,0,0|1,0,0]=3 4062 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,1,0,0,0,0|1,0,0]=3 4063 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,1,0,0,0,0|1,0,0]=3 4064 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,1,0,0,0,0|1,0,0]=3 4065 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,1,0,0,0,0|1,0,0]=3 4066 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,1,0,0,0,0|1,0,0]=3 4067 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [1,1,0,0,0,0|1,0,0]=3 4068 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [1,1,0,0,0,0|1,0,0]=3 4069 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [1,1,0,0,0,0|0,0,2]=4 4070 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [1,1,0,0,0,0|0,0,2]=4 4071 B10R0.71 C=CCCCNCC#CCC 2230a_100000700776_100009813939 [1,1,0,0,0,0|0,0,2]=4 4072 B10R0.71 C=CCCCNCC#CCC 34a_100000700776_100009813939 [1,1,0,0,0,0|0,0,2]=4 4073 B10R0.71 C=CCCCNCCCC#N 2230a_100000700776_100000687738 [1,1,0,0,0,0|1,0,1]=4 4074 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [1,1,0,0,0,0|0,0,2]=4 4075 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [1,1,0,0,0,0|0,0,2]=4 4076 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,1,0,0,0,0|1,0,1]=4 4077 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,1,0,0,0,0|0,0,0]=2 4078 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,1,0,0,0,0|0,0,0]=2 4079 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,1,0,0,0,0|0,0,0]=2 4080 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,1,0,0,0,0|1,0,0]=3 4081 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,1,0,0,0,0|1,0,0]=3 4082 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,1,0,0,0,0|1,0,0]=3 4083 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,1,0,0,0,0|1,0,0]=3 4084 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,1,0,0,0,0|1,0,0]=3 4085 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,1,0,0,0,0|1,0,0]=3 4086 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,1,0,0,0,0|1,0,0]=3 4087 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,1,0,0,0,0|1,0,0]=3 4088 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,1,0,0,0,0|1,0,0]=3 4089 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,1,0,0,0,0|1,0,0]=3 4090 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [1,1,0,0,0,0|1,0,0]=3 4091 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [1,1,0,0,0,0|1,0,0]=3 4092 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [1,1,0,0,0,0|1,0,0]=3 4093 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [1,1,0,0,0,0|1,0,0]=3 4094 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [1,1,0,0,0,0|1,0,0]=3 4095 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [1,1,0,0,0,0|1,0,0]=3 4096 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [1,1,0,0,0,0|1,0,0]=3 4097 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [1,1,0,0,0,0|0,0,2]=4 4098 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [1,1,0,0,0,0|0,0,2]=4 4099 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [1,1,0,0,0,0|0,0,2]=4 4100 B10R0.71 C=CCCCOCC#CCC 34a_100000032950_100000757094 [1,1,0,0,0,0|0,0,2]=4 4101 B10R0.71 C=CCCCOCC#CCC 34a_100000758997_100009813939 [1,1,0,0,0,0|0,0,2]=4 4102 B10R0.71 C=CCCCOCC#CCC 7a_100000758997_100009813939 [1,1,0,0,0,0|0,0,2]=4 4103 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [1,1,0,0,0,0|0,0,2]=4 4104 B10R0.71 C=CCCCOCCC#CC 34a_100000750427_100000757094 [1,1,0,0,0,0|0,0,2]=4 4105 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [1,1,0,0,0,0|1,0,1]=4 4106 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [1,1,0,0,0,0|0,0,2]=4 4107 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [1,1,0,0,0,0|0,0,2]=4 4108 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,1,0,0,0,0|1,0,1]=4 4109 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,1,0,0,0,0|1,0,0]=3 4110 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,1,0,0,0,0|0,0,0]=2 4111 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,1,0,0,0,0|0,0,0]=2 4112 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,1,0,0,0,0|0,0,0]=2 4113 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,1,0,0,0,0|0,0,0]=2 4114 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,1,0,0,0,0|1,0,0]=3 4115 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,1,0,0,0,0|1,0,0]=3 4116 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,1,0,0,0,0|1,0,0]=3 4117 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,1,0,0,0,0|1,0,0]=3 4118 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,1,0,0,0,0|1,0,0]=3 4119 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,1,0,0,0,0|1,0,0]=3 4120 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,1,0,0,0,0|1,0,0]=3 4121 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,1,0,0,0,0|1,0,0]=3 4122 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,1,0,0,0,0|1,0,0]=3 4123 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,1,0,0,0,0|1,0,0]=3 4124 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,1,0,0,0,0|1,0,0]=3 4125 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,1,0,0,0,0|1,0,0]=3 4126 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,1,0,0,0,0|1,0,0]=3 4127 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,1,0,0,0,0|1,0,0]=3 4128 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,1,0,0,0,0|1,0,0]=3 4129 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,1,0,0,0,0|1,0,0]=3 4130 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [1,1,0,0,0,0|1,0,0]=3 4131 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [1,1,0,0,0,0|1,0,0]=3 4132 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [1,1,0,0,0,0|1,0,0]=3 4133 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [1,1,0,0,0,0|1,0,0]=3 4134 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [1,1,0,0,0,0|1,0,0]=3 4135 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [1,1,0,0,0,0|1,0,0]=3 4136 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [1,1,0,0,0,0|1,0,0]=3 4137 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [1,1,0,0,0,0|1,0,0]=3 4138 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [1,1,0,0,0,0|0,0,2]=4 4139 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [1,1,0,0,0,0|0,0,2]=4 4140 B10R0.71 C=CCCCSCC#CCC 62a_100009813939_100000757094 [1,1,0,0,0,0|0,0,2]=4 4141 B10R0.71 C=CCCCSCC#CCC 62a_100011713584_100009813939 [1,1,0,0,0,0|0,0,2]=4 4142 B10R0.71 C=CCCCSCCCC#N 62a_100000687738_100000757094 [1,1,0,0,0,0|1,0,1]=4 4143 B10R0.71 C=CCCCSCCCC#N 62a_100011713584_100000687738 [1,1,0,0,0,0|1,0,1]=4 4144 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [1,1,0,0,0,0|0,0,2]=4 4145 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,1,0,0,0,0|1,0,1]=4 4146 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,1,0,0,0,0|1,0,1]=4 4147 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,1,0,0,0,0|0,0,0]=2 4148 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,1,0,0,0,0|0,0,0]=2 4149 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,1,0,0,0,0|1,0,0]=3 4150 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,1,0,0,0,0|1,0,0]=3 4151 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,1,0,0,0,0|1,0,0]=3 4152 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,1,0,0,0,0|1,0,0]=3 4153 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,1,0,0,0,0|1,0,0]=3 4154 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,1,0,0,0,0|1,0,0]=3 4155 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [1,1,0,0,0,0|1,0,0]=3 4156 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [1,1,0,0,0,0|1,0,0]=3 4157 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [1,1,0,0,0,0|1,0,0]=3 4158 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [1,1,0,0,0,0|1,0,0]=3 4159 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [1,1,0,0,0,0|0,0,2]=4 4160 B10R0.71 C=CCCNCCCCC#N 2230a_100015191253_100000211819 [1,1,0,0,0,0|1,0,1]=4 4161 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,1,0,0,0,0|1,0,1]=4 4162 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,1,0,0,0,0|0,0,0]=2 4163 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,1,0,0,0,0|0,0,0]=2 4164 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,1,0,0,0,0|1,0,0]=3 4165 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,1,0,0,0,0|1,0,0]=3 4166 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,1,0,0,0,0|1,0,0]=3 4167 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,1,0,0,0,0|1,0,0]=3 4168 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,1,0,0,0,0|1,0,0]=3 4169 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,1,0,0,0,0|1,0,0]=3 4170 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,1,0,0,0,0|1,0,0]=3 4171 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,1,0,0,0,0|1,0,0]=3 4172 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,1,0,0,0,0|1,0,0]=3 4173 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,1,0,0,0,0|1,0,0]=3 4174 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,1,0,0,0,0|1,0,0]=3 4175 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [1,1,0,0,0,0|2,0,0]=4 4176 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [1,1,0,0,0,0|2,0,0]=4 4177 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [1,1,0,0,0,0|2,0,0]=4 4178 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,1,0,0,0,0|1,0,0]=3 4179 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [1,1,0,0,0,0|2,0,0]=4 4180 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,1,0,0,0,0|1,0,0]=3 4181 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [1,1,0,0,0,0|2,0,0]=4 4182 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [1,1,0,0,0,0|0,0,2]=4 4183 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [1,1,0,0,0,0|0,0,2]=4 4184 B10R0.71 C=CCCOCC#CCCC 34a_100000034806_100000754431 [1,1,0,0,0,0|0,0,2]=4 4185 B10R0.71 C=CCCOCC#CCCC 7a_100000034806_100000754431 [1,1,0,0,0,0|0,0,2]=4 4186 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [1,1,0,0,0,0|0,0,2]=4 4187 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [1,1,0,0,0,0|0,0,2]=4 4188 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [1,1,0,0,0,0|0,0,2]=4 4189 B10R0.71 C=CCCOCCC#CCC 34a_100000036655_100000754431 [1,1,0,0,0,0|0,0,2]=4 4190 B10R0.71 C=CCCOCCC#CCC 7a_100000036655_100000754431 [1,1,0,0,0,0|0,0,2]=4 4191 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [1,1,0,0,0,0|0,0,2]=4 4192 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,1,0,0,0,0|1,0,0]=3 4193 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,1,0,0,0,0|1,0,0]=3 4194 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,1,0,0,0,0|0,0,0]=2 4195 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,1,0,0,0,0|0,0,0]=2 4196 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,1,0,0,0,0|0,0,0]=2 4197 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,1,0,0,0,0|1,0,0]=3 4198 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,1,0,0,0,0|1,0,0]=3 4199 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,1,0,0,0,0|1,0,0]=3 4200 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,1,0,0,0,0|1,0,0]=3 4201 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,1,0,0,0,0|1,0,0]=3 4202 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,1,0,0,0,0|1,0,0]=3 4203 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,1,0,0,0,0|1,0,0]=3 4204 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,1,0,0,0,0|1,0,0]=3 4205 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,1,0,0,0,0|1,0,0]=3 4206 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,1,0,0,0,0|1,0,0]=3 4207 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,1,0,0,0,0|1,0,0]=3 4208 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,1,0,0,0,0|1,0,0]=3 4209 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,1,0,0,0,0|1,0,0]=3 4210 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,1,0,0,0,0|1,0,0]=3 4211 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,1,0,0,0,0|1,0,0]=3 4212 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,1,0,0,0,0|1,0,0]=3 4213 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [1,1,0,0,0,0|2,0,0]=4 4214 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [1,1,0,0,0,0|2,0,0]=4 4215 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,1,0,0,0,0|1,0,0]=3 4216 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,1,0,0,0,0|1,0,0]=3 4217 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,1,0,0,0,0|1,0,0]=3 4218 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [1,1,0,0,0,0|2,0,0]=4 4219 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [1,1,0,0,0,0|2,0,0]=4 4220 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [1,1,0,0,0,0|2,0,0]=4 4221 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [1,1,0,0,0,0|2,0,0]=4 4222 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [1,1,0,0,0,0|2,0,0]=4 4223 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [1,1,0,0,0,0|2,0,0]=4 4224 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [1,1,0,0,0,0|2,0,0]=4 4225 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [1,1,0,0,0,0|2,0,0]=4 4226 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,1,0,0,0,0|1,0,0]=3 4227 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,1,0,0,0,0|1,0,0]=3 4228 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,1,0,0,0,0|1,0,0]=3 4229 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [1,1,0,0,0,0|0,0,2]=4 4230 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [1,1,0,0,0,0|0,0,2]=4 4231 B10R0.71 C=CCCSCCCCC#N 62a_100000754431_100000211819 [1,1,0,0,0,0|1,0,1]=4 4232 B10R0.71 C=CCCSCCCCC#N 62a_100011219923_100000754431 [1,1,0,0,0,0|1,0,1]=4 4233 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,1,0,0,0,0|1,0,1]=4 4234 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,1,0,0,0,0|1,0,1]=4 4235 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,1,0,0,0,0|0,0,0]=2 4236 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,1,0,0,0,0|0,0,0]=2 4237 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,1,0,0,0,0|1,0,0]=3 4238 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,1,0,0,0,0|1,0,0]=3 4239 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,1,0,0,0,0|1,0,0]=3 4240 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,1,0,0,0,0|1,0,0]=3 4241 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,1,0,0,0,0|1,0,0]=3 4242 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,1,0,0,0,0|1,0,0]=3 4243 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,1,0,0,0,0|1,0,0]=3 4244 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,1,0,0,0,0|1,0,0]=3 4245 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,1,0,0,0,0|1,0,0]=3 4246 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,1,0,0,0,0|1,0,0]=3 4247 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [1,1,0,0,0,0|2,0,0]=4 4248 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [1,1,0,0,0,0|2,0,0]=4 4249 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,1,0,0,0,0|1,0,0]=3 4250 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,1,0,0,0,0|1,0,0]=3 4251 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [1,1,0,0,0,0|2,0,0]=4 4252 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [1,1,0,0,0,0|2,0,0]=4 4253 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [1,1,0,0,0,0|1,0,1]=4 4254 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,1,0,0,0,0|1,0,1]=4 4255 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,1,0,0,0,0|0,0,0]=2 4256 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,1,0,0,0,0|0,0,0]=2 4257 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,1,0,0,0,0|1,0,0]=3 4258 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,1,0,0,0,0|1,0,0]=3 4259 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,1,0,0,0,0|1,0,0]=3 4260 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,1,0,0,0,0|1,0,0]=3 4261 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,1,0,0,0,0|1,0,0]=3 4262 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,1,0,0,0,0|1,0,0]=3 4263 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,1,0,0,0,0|1,0,0]=3 4264 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,1,0,0,0,0|1,0,0]=3 4265 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,1,0,0,0,0|1,0,0]=3 4266 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [1,1,0,0,0,0|2,0,0]=4 4267 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [1,1,0,0,0,0|2,0,0]=4 4268 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [1,1,0,0,0,0|2,0,0]=4 4269 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,1,0,0,0,0|1,0,0]=3 4270 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [1,1,0,0,0,0|0,0,2]=4 4271 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [1,1,0,0,0,0|0,0,2]=4 4272 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [1,1,0,0,0,0|0,0,2]=4 4273 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [1,1,0,0,0,0|0,0,2]=4 4274 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [1,1,0,0,0,0|0,0,2]=4 4275 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [1,1,0,0,0,0|0,0,2]=4 4276 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [1,1,0,0,0,0|0,0,2]=4 4277 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [1,1,0,0,0,0|0,0,2]=4 4278 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,1,0,0,0,0|1,0,0]=3 4279 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,1,0,0,0,0|1,0,0]=3 4280 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,1,0,0,0,0|0,0,0]=2 4281 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,1,0,0,0,0|0,0,0]=2 4282 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,1,0,0,0,0|0,0,0]=2 4283 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,1,0,0,0,0|1,0,0]=3 4284 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,1,0,0,0,0|1,0,0]=3 4285 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,1,0,0,0,0|1,0,0]=3 4286 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,1,0,0,0,0|1,0,0]=3 4287 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,1,0,0,0,0|1,0,0]=3 4288 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,1,0,0,0,0|1,0,0]=3 4289 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,1,0,0,0,0|1,0,0]=3 4290 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,1,0,0,0,0|1,0,0]=3 4291 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,1,0,0,0,0|1,0,0]=3 4292 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,1,0,0,0,0|1,0,0]=3 4293 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,1,0,0,0,0|1,0,0]=3 4294 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,1,0,0,0,0|1,0,0]=3 4295 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,1,0,0,0,0|1,0,0]=3 4296 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [1,1,0,0,0,0|2,0,0]=4 4297 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [1,1,0,0,0,0|2,0,0]=4 4298 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [1,1,0,0,0,0|2,0,0]=4 4299 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [1,1,0,0,0,0|2,0,0]=4 4300 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [1,1,0,0,0,0|2,0,0]=4 4301 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [1,1,0,0,0,0|2,0,0]=4 4302 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [1,1,0,0,0,0|2,0,0]=4 4303 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [1,1,0,0,0,0|2,0,0]=4 4304 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [1,1,0,0,0,0|2,0,0]=4 4305 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [1,1,0,0,0,0|2,0,0]=4 4306 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [1,1,0,0,0,0|2,0,0]=4 4307 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [1,1,0,0,0,0|2,0,0]=4 4308 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [1,1,0,0,0,0|2,0,0]=4 4309 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [1,1,0,0,0,0|2,0,0]=4 4310 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [1,1,0,0,0,0|2,0,0]=4 4311 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [1,1,0,0,0,0|2,0,0]=4 4312 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,1,0,0,0,0|1,0,0]=3 4313 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,1,0,0,0,0|1,0,0]=3 4314 B10R0.71 C=CCSCCCCCC#N 62a_100000210623_100009813376 [1,1,0,0,0,0|1,0,1]=4 4315 B10R0.71 C=CCSCCCCCC#N 62a_100009813376_100000210623 [1,1,0,0,0,0|1,0,1]=4 4316 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,1,0,0,0,0|1,0,1]=4 4317 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,1,0,0,0,0|1,0,1]=4 4318 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,1,0,0,0,0|0,0,0]=2 4319 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,1,0,0,0,0|0,0,0]=2 4320 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,1,0,0,0,0|1,0,0]=3 4321 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,1,0,0,0,0|1,0,0]=3 4322 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,1,0,0,0,0|1,0,0]=3 4323 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,1,0,0,0,0|1,0,0]=3 4324 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,1,0,0,0,0|1,0,0]=3 4325 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,1,0,0,0,0|1,0,0]=3 4326 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [1,1,0,0,0,0|2,0,0]=4 4327 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [1,1,0,0,0,0|2,0,0]=4 4328 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,1,0,0,0,0|1,0,0]=3 4329 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,1,0,0,0,0|1,0,0]=3 4330 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [1,1,0,0,0,0|2,0,0]=4 4331 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [1,1,0,0,0,0|2,0,0]=4 4332 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [1,1,0,0,0,0|2,0,0]=4 4333 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [1,1,0,0,0,0|2,0,0]=4 4334 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [1,1,0,0,0,0|2,0,0]=4 4335 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,1,0,0,0,0|1,0,0]=3 4336 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,1,0,0,0,0|1,0,0]=3 4337 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [1,1,0,0,0,0|2,0,0]=4 4338 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [1,1,0,0,0,0|2,0,0]=4 4339 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [1,1,0,0,0,0|2,0,0]=4 4340 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [1,1,0,0,0,0|2,0,0]=4 4341 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [1,1,0,0,0,0|2,0,0]=4 4342 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [1,1,0,0,0,0|2,0,0]=4 4343 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [1,1,0,0,0,0|2,0,0]=4 4344 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [1,1,0,0,0,0|2,0,0]=4 4345 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,1,0,0,0,0|1,0,0]=3 4346 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [1,1,0,0,0,0|2,0,0]=4 4347 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [1,1,0,0,0,0|2,0,0]=4 4348 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [1,1,0,0,0,0|2,0,0]=4 4349 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [1,1,0,0,0,0|2,0,0]=4 4350 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [1,1,0,0,0,0|2,0,0]=4 4351 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [1,1,0,0,0,0|2,0,0]=4 4352 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [1,1,0,0,0,0|2,0,0]=4 4353 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [1,1,0,0,0,0|2,0,0]=4 4354 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,1,0,0,0,0|1,0,0]=3 4355 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,1,0,0,0,0|1,0,0]=3 4356 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,1,0,0,0,0|1,0,0]=3 4357 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [1,1,0,0,0,0|2,0,0]=4 4358 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [1,1,0,0,0,0|2,0,0]=4 4359 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [1,1,0,0,0,0|2,0,0]=4 4360 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [1,1,0,0,0,0|2,0,0]=4 4361 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [1,1,0,0,0,0|2,0,0]=4 4362 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [1,1,0,0,0,0|2,0,0]=4 4363 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [1,1,0,0,0,0|2,0,0]=4 4364 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [1,1,0,0,0,0|2,0,0]=4 4365 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [1,1,0,0,0,0|2,0,0]=4 4366 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [1,1,0,0,0,0|2,0,0]=4 4367 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [1,1,0,0,0,0|2,0,0]=4 4368 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [1,1,0,0,0,0|2,0,0]=4 4369 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [1,1,0,0,0,0|2,0,0]=4 4370 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [1,1,0,0,0,0|2,0,0]=4 4371 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [1,1,0,0,0,0|2,0,0]=4 4372 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [1,1,0,0,0,0|2,0,0]=4 4373 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [1,1,0,0,0,0|2,0,0]=4 4374 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [1,1,0,0,0,0|2,0,0]=4 4375 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [1,1,0,0,0,0|2,0,0]=4 4376 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [1,1,0,0,0,0|2,0,0]=4 4377 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [1,1,0,0,0,0|2,0,0]=4 4378 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,1,0,0,0,0|1,0,0]=3 4379 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,1,0,0,0,0|1,0,0]=3 4380 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [1,1,0,0,0,0|2,0,0]=4 4381 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [1,1,0,0,0,0|2,0,0]=4 4382 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [1,1,0,0,0,0|2,0,0]=4 4383 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [1,1,0,0,0,0|2,0,0]=4 4384 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [1,1,0,0,0,0|2,0,0]=4 4385 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [1,1,0,0,0,0|2,0,0]=4 4386 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [1,1,0,0,0,0|2,0,0]=4 4387 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [1,1,0,0,0,0|2,0,0]=4 4388 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [1,1,0,0,0,0|2,0,0]=4 4389 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [1,1,0,0,0,0|2,0,0]=4 4390 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|1,0,0]=3 4391 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,1,0,0,0,0|2,0,0]=4 4392 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,1,0,0,0,0|2,0,0]=4 4393 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,1,0,0,0,0|2,0,0]=4 4394 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,1,0,0,0,0|2,0,0]=4 4395 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|1,0,0]=3 4396 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 4397 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 4398 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,1,0,0,0,0|2,0,0]=4 4399 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,1,0,0,0,0|2,0,0]=4 4400 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,1,0,0,0,0|2,0,0]=4 4401 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,1,0,0,0,0|2,0,0]=4 4402 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,1,0,0,0,0|2,0,0]=4 4403 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,1,0,0,0,0|2,0,0]=4 4404 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,1,0,0,0,0|2,0,0]=4 4405 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|1,0,0]=3 4406 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|1,0,0]=3 4407 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 4408 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 4409 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,1,0,0,0,0|2,0,0]=4 4410 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,1,0,0,0,0|2,0,0]=4 4411 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 4412 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,1,0,0,0,0|2,0,0]=4 4413 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,1,0,0,0,0|2,0,0]=4 4414 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,1,0,0,0,0|2,0,0]=4 4415 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,1,0,0,0,0|2,0,0]=4 4416 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,1,0,0,0,0|2,0,0]=4 4417 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,1,0,0,0,0|2,0,0]=4 4418 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,1,0,0,0,0|2,0,0]=4 4419 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,1,0,0,0,0|2,0,0]=4 4420 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,1,0,0,0,0|2,0,0]=4 4421 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,1,0,0,0,0|2,0,0]=4 4422 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,1,0,0,0,0|2,0,0]=4 4423 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|1,0,0]=3 4424 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|1,0,0]=3 4425 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,1,0,0,0,0|2,0,0]=4 4426 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,1,0,0,0,0|2,0,0]=4 4427 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,1,0,0,0,0|2,0,0]=4 4428 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 4429 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,1,0,0,0,0|2,0,0]=4 4430 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,1,0,0,0,0|2,0,0]=4 4431 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,1,0,0,0,0|2,0,0]=4 4432 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,1,0,0,0,0|2,0,0]=4 4433 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,1,0,0,0,0|2,0,0]=4 4434 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,1,0,0,0,0|2,0,0]=4 4435 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,1,0,0,0,0|2,0,0]=4 4436 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,1,0,0,0,0|2,0,0]=4 4437 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|0,0,2]=4 4438 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|0,0,2]=4 4439 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|0,0,2]=4 4440 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|0,0,2]=4 4441 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|0,0,2]=4 4442 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|0,0,2]=4 4443 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|0,0,2]=4 4444 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|0,0,2]=4 4445 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|0,0,2]=4 4446 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|0,0,2]=4 4447 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|0,0,2]=4 4448 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|0,0,2]=4 4449 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|0,0,2]=4 4450 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|0,0,2]=4 4451 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|0,0,2]=4 4452 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|0,0,2]=4 4453 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|0,0,2]=4 4454 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|1,0,1]=4 4455 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|0,0,2]=4 4456 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|0,0,2]=4 4457 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|0,0,2]=4 4458 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 4459 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 4460 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|0,0,2]=4 4461 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|0,0,2]=4 4462 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,1,0,0,0,0|1,0,1]=4 4463 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,1,0,0,0,0|1,0,1]=4 4464 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,1,0,0,0,0|1,0,1]=4 4465 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,1,0,0,0,0|1,0,0]=3 4466 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|0,0,2]=4 4467 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|1,0,1]=4 4468 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|1,0,1]=4 4469 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|1,0,1]=4 4470 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|1,0,1]=4 4471 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|1,0,1]=4 4472 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|1,0,1]=4 4473 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|1,0,1]=4 4474 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,1,0,0,0,0|1,0,1]=4 4475 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|1,0,0]=3 4476 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|1,0,0]=3 4477 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|1,0,1]=4 4478 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|0,0,2]=4 4479 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|0,0,2]=4 4480 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|0,0,2]=4 4481 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|1,0,1]=4 4482 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|1,0,1]=4 4483 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|1,0,1]=4 4484 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|1,0,1]=4 4485 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|1,0,1]=4 4486 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|1,0,1]=4 4487 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,1,0,0,0,0|1,0,1]=4 4488 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,1,0,0,0,0|1,0,1]=4 4489 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,1,0,0,0,0|1,0,0]=3 4490 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,1,0,0,0,0|1,0,0]=3 4491 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|0,0,2]=4 4492 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|0,0,2]=4 4493 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|1,0,1]=4 4494 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|1,0,1]=4 4495 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|1,0,1]=4 4496 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|1,0,1]=4 4497 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|1,0,1]=4 4498 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|1,0,1]=4 4499 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|1,0,1]=4 4500 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|1,0,1]=4 4501 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,1,0,0,0,0|1,0,1]=4 4502 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|0,0,2]=4 4503 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|0,0,2]=4 4504 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|0,0,2]=4 4505 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|1,0,1]=4 4506 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 4507 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 4508 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|1,0,1]=4 4509 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|1,0,1]=4 4510 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|1,0,1]=4 4511 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|1,0,1]=4 4512 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|1,0,1]=4 4513 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,1,0,0,0,0|1,0,1]=4 4514 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|1,0,1]=4 4515 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|0,0,2]=4 4516 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|0,0,2]=4 4517 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|0,0,2]=4 4518 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|0,0,2]=4 4519 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|1,0,1]=4 4520 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 4521 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|1,0,1]=4 4522 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 4523 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|1,0,1]=4 4524 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|1,0,1]=4 4525 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|1,0,1]=4 4526 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|1,0,1]=4 4527 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|1,0,1]=4 4528 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 4529 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|1,0,1]=4 4530 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 4531 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,1,0,0,0,0|2,0,0]=4 4532 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 4533 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 4534 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 4535 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 4536 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 4537 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 4538 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,1,0,0,0,0|1,0,1]=4 4539 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,1,0,0,0,0|1,0,1]=4 4540 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|0,0,2]=4 4541 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|0,0,2]=4 4542 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|1,0,1]=4 4543 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|1,0,1]=4 4544 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|1,0,1]=4 4545 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|1,0,1]=4 4546 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|1,0,1]=4 4547 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|1,0,1]=4 4548 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|1,0,1]=4 4549 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|1,0,1]=4 4550 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,1,0,0,0,0|1,0,1]=4 4551 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,1,0,0,0,0|1,0,0]=3 4552 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|0,0,2]=4 4553 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,1,0,0,0,0|1,0,1]=4 4554 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|1,0,1]=4 4555 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|1,0,1]=4 4556 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,1]=4 4557 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|1,0,1]=4 4558 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|1,0,1]=4 4559 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|1,0,1]=4 4560 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,1,0,0,0,0|1,0,1]=4 4561 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,1,0,0,0,0|1,0,0]=3 4562 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,1,0,0,0,0|1,0,1]=4 4563 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|0,0,2]=4 4564 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|0,0,2]=4 4565 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,1,0,0,0,0|1,0,1]=4 4566 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,1,0,0,0,0|1,0,1]=4 4567 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,1,0,0,0,0|1,0,1]=4 4568 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,1,0,0,0,0|1,0,1]=4 4569 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,1,0,0,0,0|1,0,1]=4 4570 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,1,0,0,0,0|1,0,1]=4 4571 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,1,0,0,0,0|1,0,1]=4 4572 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,1]=4 4573 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|1,0,1]=4 4574 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|1,0,1]=4 4575 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|1,0,1]=4 4576 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|1,0,1]=4 4577 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|1,0,1]=4 4578 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|1,0,1]=4 4579 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|1,0,1]=4 4580 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|1,0,1]=4 4581 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,1,0,0,0,0|1,0,1]=4 4582 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,1,0,0,0,0|1,0,1]=4 4583 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,1,0,0,0,0|1,0,0]=3 4584 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,1,0,0,0,0|1,0,0]=3 4585 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|0,0,2]=4 4586 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,1,0,0,0,0|1,0,1]=4 4587 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,1,0,0,0,0|1,0,1]=4 4588 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|1,0,1]=4 4589 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|1,0,1]=4 4590 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|1,0,1]=4 4591 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|1,0,1]=4 4592 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,1,0,0,0,0|1,0,1]=4 4593 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,1,0,0,0,0|1,0,1]=4 4594 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,1,0,0,0,0|1,0,0]=3 4595 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,1,0,0,0,0|1,0,0]=3 4596 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,1,0,0,0,0|1,0,1]=4 4597 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,1,0,0,0,0|1,0,1]=4 4598 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|1,0,1]=4 4599 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|1,0,1]=4 4600 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 4601 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|1,0,1]=4 4602 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|1,0,1]=4 4603 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 4604 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|1,0,1]=4 4605 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 4606 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,1,0,0,0,0|1,0,1]=4 4607 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,1,0,0,0,0|1,0,0]=3 4608 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,1,0,0,0,0|1,0,1]=4 4609 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,1,0,0,0,0|1,0,1]=4 4610 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,1,0,0,0,0|1,0,1]=4 4611 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,1,0,0,0,0|1,0,1]=4 4612 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 4613 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 4614 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,1,0,0,0,0|1,0,1]=4 4615 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,1,0,0,0,0|1,0,1]=4 4616 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 4617 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 4618 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 4619 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|1,0,1]=4 4620 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|1,0,1]=4 4621 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 4622 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|1,0,1]=4 4623 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 4624 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 4625 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 4626 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|1,0,1]=4 4627 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|1,0,1]=4 4628 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,1,0,0,0,0|2,0,0]=4 4629 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,1,0,0,0,0|2,0,0]=4 4630 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,1,0,0,0,0|2,0,0]=4 4631 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,1,0,0,0,0|2,0,0]=4 4632 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,1,0,0,0,0|1,0,1]=4 4633 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,1,0,0,0,0|1,0,1]=4 4634 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,1,0,0,0,0|1,0,0]=3 4635 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,1,0,0,0,0|1,0,0]=3 4636 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,1,0,0,0,0|1,0,1]=4 4637 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,1,0,0,0,0|1,0,1]=4 4638 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|1,0,1]=4 4639 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|1,0,1]=4 4640 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|1,0,1]=4 4641 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|1,0,1]=4 4642 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,1,0,0,0,0|2,0,0]=4 4643 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,1,0,0,0,0|2,0,0]=4 4644 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,1,0,0,0,0|2,0,0]=4 4645 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 4646 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 4647 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 4648 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 4649 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 4650 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 4651 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 4652 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 4653 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|1,0,1]=4 4654 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 4655 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 4656 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 4657 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|1,0,1]=4 4658 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 4659 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,1,0,0,0,0|2,0,0]=4 4660 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,1,0,0,0,0|2,0,0]=4 4661 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,1,0,0,0,0|1,0,1]=4 4662 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,1,0,0,0,0|1,0,1]=4 4663 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,1,0,0,0,0|1,0,0]=3 4664 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,1,0,0,0,0|1,0,0]=3 4665 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|1,0,1]=4 4666 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|1,0,1]=4 4667 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|1,0,1]=4 4668 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 4669 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,1,0,0,0,0|1,0,1]=4 4670 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 4671 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|1,0,1]=4 4672 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 4673 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|1,0,1]=4 4674 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 4675 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 4676 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 4677 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|1,0,1]=4 4678 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|1,0,1]=4 4679 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|1,0,1]=4 4680 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|1,0,1]=4 4681 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,1,0,0,0,0|2,0,0]=4 4682 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,1,0,0,0,0|2,0,0]=4 4683 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,1,0,0,0,0|2,0,0]=4 4684 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,1,0,0,0,0|2,0,0]=4 4685 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,1,0,0,0,0|2,0,0]=4 4686 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,1,0,0,0,0|2,0,0]=4 4687 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,1,0,0,0,0|1,0,1]=4 4688 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,1,0,0,0,0|1,0,1]=4 4689 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|1,0,1]=4 4690 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 4691 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|1,0,1]=4 4692 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|1,0,1]=4 4693 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,1,0,0,0,0|2,0,0]=4 4694 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,1,0,0,0,0|2,0,0]=4 4695 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,1,0,0,0,0|2,0,0]=4 4696 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,1,0,0,0,0|2,0,0]=4 4697 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 4698 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 4699 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|1,0,1]=4 4700 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 4701 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 4702 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,1,0,0,0,0|2,0,0]=4 4703 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,1,0,0,0,0|1,0,1]=4 4704 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,1,0,0,0,0|1,0,1]=4 4705 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 4706 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 4707 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 4708 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|1,0,1]=4 4709 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,1,0,0,0,0|2,0,0]=4 4710 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,1,0,0,0,0|2,0,0]=4 4711 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,1,0,0,0,0|2,0,0]=4 4712 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,1,0,0,0,0|2,0,0]=4 4713 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,1,0,0,0,0|2,0,0]=4 4714 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,1,0,0,0,0|2,0,0]=4 4715 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,1,0,0,0,0|2,0,0]=4 4716 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,1,0,0,0,0|2,0,0]=4 4717 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,1,0,0,0,0|2,0,0]=4 4718 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 4719 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|1,0,1]=4 4720 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,1,0,0,0,0|2,0,0]=4 4721 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,1,0,0,0,0|2,0,0]=4 4722 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,1,0,0,0,0|2,0,0]=4 4723 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,1,0,0,0,0|2,0,0]=4 4724 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,1,0,0,0,0|2,0,0]=4 4725 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,1,0,0,0,0|2,0,0]=4 4726 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,1,0,0,0,0|2,0,0]=4 4727 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,1,0,0,0,0|2,0,0]=4 4728 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,1,0,0,0,0|2,0,0]=4 4729 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,1,0,0,0,0|2,0,0]=4 4730 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,1,0,0,0,0|2,0,0]=4 4731 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,1,0,0,0,0|2,0,0]=4 4732 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,1,0,0,0,0|2,0,0]=4 4733 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,1,0,0,0,0|2,0,0]=4 4734 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,1,0,0,0,0|2,0,0]=4 4735 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,1,0,0,0,0|2,0,0]=4 4736 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,1,0,0,0,0|2,0,0]=4 4737 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,1,0,0,0,0|2,0,0]=4 4738 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,1,0,0,0,0|2,0,0]=4 4739 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,1,0,0,0,0|2,0,0]=4 4740 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,1,0,0,0,0|2,0,0]=4 4741 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,1,0,0,0,0|2,0,0]=4 4742 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,1,0,0,0,0|2,0,0]=4 4743 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,1,0,0,0,0|2,0,0]=4 4744 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,1,0,0,0,0|2,0,0]=4 4745 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,1,0,0,0,0|2,0,0]=4 4746 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,1,0,0,0,0|2,0,0]=4 4747 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,1,0,0,0,0|2,0,0]=4 4748 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,1,0,0,0,0|2,0,0]=4 4749 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,1,0,0,0,0|2,0,0]=4 4750 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,1,0,0,0,0|2,0,0]=4 4751 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,1,0,0,0,0|2,0,0]=4 4752 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,1,0,0,0,0|2,0,0]=4 4753 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,1,0,0,0,0|2,0,0]=4 4754 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,1,0,0,0,0|2,0,0]=4 4755 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,1,0,0,0,0|2,0,0]=4 4756 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,1,0,0,0,0|2,0,0]=4 4757 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,1,0,0,0,0|2,0,0]=4 4758 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 4759 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 4760 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,1,0,0,0,0|1,0,1]=4 4761 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,1,0,0,0,0|1,0,1]=4 4762 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 4763 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 4764 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 4765 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 4766 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|1,0,1]=4 4767 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|0,0,1]=3 4768 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|0,0,1]=3 4769 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [1,1,0,0,0,0|1,0,1]=4 4770 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [1,1,0,0,0,0|1,0,1]=4 4771 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [1,1,0,0,0,0|1,0,1]=4 4772 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [1,1,0,0,0,0|1,0,1]=4 4773 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [1,1,0,0,0,0|1,0,1]=4 4774 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [1,1,0,0,0,0|1,0,1]=4 4775 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [1,1,0,0,0,0|1,0,1]=4 4776 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [1,1,0,0,0,0|1,0,1]=4 4777 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [1,1,0,0,0,0|1,0,1]=4 4778 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [1,1,0,0,0,0|1,0,1]=4 4779 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [1,1,0,0,0,0|1,0,1]=4 4780 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [1,1,0,0,0,0|1,0,1]=4 4781 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 4782 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 4783 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 4784 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 4785 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [1,1,0,0,0,0|1,0,0]=3 4786 B10R0.91 C=CCCC(C)NCCCF 270004a_100015189416_100000762624 [1,1,0,0,0,0|2,0,0]=4 4787 B10R0.91 C=CCCC(C)NCCCO 270004a_100000182051_100000762624 [1,1,0,0,0,0|2,0,0]=4 4788 B10R0.91 C=CCCC(C)NCCOC 270004a_100000209980_100000762624 [1,1,0,0,0,0|2,0,0]=4 4789 B10R0.91 C=CCCC(C)NCCSC 270004a_100020590264_100000762624 [1,1,0,0,0,0|2,0,0]=4 4790 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [1,1,0,0,0,0|1,0,0]=3 4791 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [1,1,0,0,0,0|1,0,0]=3 4792 B10R0.91 C=CCCC(C)OCCCF 34a_100000765329_100011934791 [1,1,0,0,0,0|2,0,0]=4 4793 B10R0.91 C=CCCC(C)OCCCF 7a_100000765329_100011934791 [1,1,0,0,0,0|2,0,0]=4 4794 B10R0.91 C=CCCC(C)OCCCO 34a_100000765329_100000230001 [1,1,0,0,0,0|2,0,0]=4 4795 B10R0.91 C=CCCC(C)OCCCO 7a_100000765329_100011215043 [1,1,0,0,0,0|2,0,0]=4 4796 B10R0.91 C=CCCC(C)OCCOC 34a_100000765329_100011201679 [1,1,0,0,0,0|2,0,0]=4 4797 B10R0.91 C=CCCC(C)OCCOC 7a_100000765329_100000233755 [1,1,0,0,0,0|2,0,0]=4 4798 B10R0.91 C=CCCC(C)OCCSC 34a_100000765329_100000212216 [1,1,0,0,0,0|2,0,0]=4 4799 B10R0.91 C=CCCC(C)OCCSC 7a_100000765329_100000212216 [1,1,0,0,0,0|2,0,0]=4 4800 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [1,1,0,0,0,0|0,0,1]=3 4801 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [1,1,0,0,0,0|0,0,1]=3 4802 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [1,1,0,0,0,0|1,0,1]=4 4803 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [1,1,0,0,0,0|1,0,1]=4 4804 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [1,1,0,0,0,0|1,0,1]=4 4805 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [1,1,0,0,0,0|1,0,1]=4 4806 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [1,1,0,0,0,0|1,0,1]=4 4807 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [1,1,0,0,0,0|1,0,1]=4 4808 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [1,1,0,0,0,0|1,0,1]=4 4809 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [1,1,0,0,0,0|1,0,1]=4 4810 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [1,1,0,0,0,0|1,0,1]=4 4811 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [1,1,0,0,0,0|1,0,1]=4 4812 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [1,1,0,0,0,0|1,0,1]=4 4813 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [1,1,0,0,0,0|1,0,1]=4 4814 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [1,1,0,0,0,0|1,0,0]=3 4815 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [1,1,0,0,0,0|1,0,0]=3 4816 B10R0.91 C=CCCCN(C)CCCO 2230a_100000213112_100011713584 [1,1,0,0,0,0|2,0,0]=4 4817 B10R0.91 C=CCCCN(C)CCCO 269982a_100000213112_100000757094 [1,1,0,0,0,0|2,0,0]=4 4818 B10R0.91 C=CCCCN(C)CCOC 2230a_100000743101_100011713584 [1,1,0,0,0,0|2,0,0]=4 4819 B10R0.91 C=CCCCN(C)CCOC 269982a_100000743101_100000757094 [1,1,0,0,0,0|2,0,0]=4 4820 B10R0.91 C=CCCCN(C)CCSC 2230a_100000686725_100011713584 [1,1,0,0,0,0|2,0,0]=4 4821 B10R0.91 C=CCCCN(C)CCSC 269982a_100000686725_100000757094 [1,1,0,0,0,0|2,0,0]=4 4822 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [1,1,0,0,0,0|1,0,0]=3 4823 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [1,1,0,0,0,0|1,0,0]=3 4824 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [1,1,0,0,0,0|1,0,0]=3 4825 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [1,1,0,0,0,0|1,0,0]=3 4826 B10R0.91 C=CCCN(C)CCCCF 2230a_100020639649_100000729493 [1,1,0,0,0,0|2,0,0]=4 4827 B10R0.91 C=CCCN(C)CCCCF 269982a_100020639649_100000729493 [1,1,0,0,0,0|2,0,0]=4 4828 B10R0.91 C=CCCN(C)CCCCO 2230a_100000717598_100000754431 [1,1,0,0,0,0|2,0,0]=4 4829 B10R0.91 C=CCCN(C)CCCCO 2230a_100020639649_100000210776 [1,1,0,0,0,0|2,0,0]=4 4830 B10R0.91 C=CCCN(C)CCCCO 269982a_100000717598_100000754431 [1,1,0,0,0,0|2,0,0]=4 4831 B10R0.91 C=CCCN(C)CCCCO 269982a_100020639649_100000210776 [1,1,0,0,0,0|2,0,0]=4 4832 B10R0.91 C=CCCN(C)CCCOC 2230a_100000224831_100000754431 [1,1,0,0,0,0|2,0,0]=4 4833 B10R0.91 C=CCCN(C)CCCOC 2230a_100020639649_100000740836 [1,1,0,0,0,0|2,0,0]=4 4834 B10R0.91 C=CCCN(C)CCCOC 269982a_100000224831_100000754431 [1,1,0,0,0,0|2,0,0]=4 4835 B10R0.91 C=CCCN(C)CCCOC 269982a_100020639649_100000740836 [1,1,0,0,0,0|2,0,0]=4 4836 B10R0.91 C=CCCN(C)CCOCC 2230a_100020639649_100011215890 [1,1,0,0,0,0|2,0,0]=4 4837 B10R0.91 C=CCCN(C)CCOCC 269982a_100020639649_100011215890 [1,1,0,0,0,0|2,0,0]=4 4838 B10R0.91 C=CCCN(C)CCSCC 2230a_100020639649_100000757381 [1,1,0,0,0,0|2,0,0]=4 4839 B10R0.91 C=CCCN(C)CCSCC 269982a_100020639649_100000757381 [1,1,0,0,0,0|2,0,0]=4 4840 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [1,1,0,0,0,0|1,0,1]=4 4841 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [1,1,0,0,0,0|1,0,1]=4 4842 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [1,1,0,0,0,0|1,0,1]=4 4843 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [1,1,0,0,0,0|1,0,1]=4 4844 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [1,1,0,0,0,0|1,0,0]=3 4845 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [1,1,0,0,0,0|1,0,0]=3 4846 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [1,1,0,0,0,0|1,0,0]=3 4847 B10R0.91 C=CCCNC(C)CCOC 270004a_100015191253_100000742357 [1,1,0,0,0,0|2,0,0]=4 4848 B10R0.91 C=CCCNC(C)CCSC 270004a_100015191253_100011217047 [1,1,0,0,0,0|2,0,0]=4 4849 B10R0.91 C=CCCNC(C)CSCC 270004a_100015191253_200011216171 [1,1,0,0,0,0|2,0,0]=4 4850 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [1,1,0,0,0,0|1,0,0]=3 4851 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [1,1,0,0,0,0|1,0,0]=3 4852 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [1,1,0,0,0,0|1,0,0]=3 4853 B10R0.91 C=CCCOC(C)CCCCl 34a_200000718107_100000754431 [1,1,0,0,0,0|2,0,0]=4 4854 B10R0.91 C=CCCOC(C)CCCCl 7a_200000718107_100000754431 [1,1,0,0,0,0|2,0,0]=4 4855 B10R0.91 C=CCCOC(C)COCC 34a_100000718985_100000754431 [1,1,0,0,0,0|2,0,0]=4 4856 B10R0.91 C=CCCOC(C)COCC 7a_100000718985_100000754431 [1,1,0,0,0,0|2,0,0]=4 4857 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [1,1,0,0,0,0|1,0,0]=3 4858 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [1,1,0,0,0,0|1,0,0]=3 4859 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 4860 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 4861 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 4862 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [1,1,0,0,0,0|1,0,0]=3 4863 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [1,1,0,0,0,0|1,0,0]=3 4864 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [1,1,0,0,0,0|1,0,0]=3 4865 B10R0.91 C=CCNC(C)CCCSC 270004a_100020586998_100011399439 [1,1,0,0,0,0|2,0,0]=4 4866 B10R0.91 C=CCNC(C)CCOCC 270004a_100020586998_200011216536 [1,1,0,0,0,0|2,0,0]=4 4867 B10R0.91 C=CCNC(C)CSCCC 270004a_100020586998_100011343953 [1,1,0,0,0,0|2,0,0]=4 4868 B10R0.91 C=CCNCC(C)OCCC 2230a_100015185124_100000210623 [1,1,0,0,0,0|2,0,0]=4 4869 B10R0.91 C=CCNCC(C)OCCC 34a_100015185124_100015514636 [1,1,0,0,0,0|2,0,0]=4 4870 B10R0.91 C=CCNCC(O)COCC 2230a_102515437182_100000210623 [1,1,0,0,0,0|2,0,0]=4 4871 B10R0.91 C=CCNCC(O)COCC 34a_102515437182_100015514636 [1,1,0,0,0,0|2,0,0]=4 4872 B10R0.91 C=CCNC[C@H](C)CCCO 2230a_100160569302_100000210623 [1,1,0,0,0,0|2,0,0]=4 4873 B10R0.91 C=CCNC[C@H](C)CCCO 34a_100160569302_100015514636 [1,1,0,0,0,0|2,0,0]=4 4874 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [1,1,0,0,0,0|1,0,0]=3 4875 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [1,1,0,0,0,0|1,0,0]=3 4876 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [1,1,0,0,0,0|1,0,0]=3 4877 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [1,1,0,0,0,0|2,0,0]=4 4878 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [1,1,0,0,0,0|2,0,0]=4 4879 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [1,1,0,0,0,0|1,0,0]=3 4880 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [1,1,0,0,0,0|1,0,0]=3 4881 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [1,1,0,0,0,0|1,0,0]=3 4882 B10R0.91 C=CCOC[C@@H](N)CCSC 34a_100011827619_100015514636 [1,1,0,0,0,0|2,0,0]=4 4883 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [1,1,0,0,0,0|1,0,0]=3 4884 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [1,1,0,0,0,0|1,0,0]=3 4885 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [1,1,0,0,0,0|1,0,1]=4 4886 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [1,1,0,0,0,0|1,0,1]=4 4887 B10R0.91 C=COCCN(C)CCCC 2230a_100000207549_100000039644 [1,1,0,0,0,0|2,0,0]=4 4888 B10R0.91 C=COCCN(C)CCCC 269982a_100000207549_100000039644 [1,1,0,0,0,0|2,0,0]=4 4889 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [1,1,0,0,0,0|2,0,0]=4 4890 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [1,1,0,0,0,0|2,0,0]=4 4891 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,1,0,0,0,0|2,0,0]=4 4892 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,1,0,0,0,0|2,0,0]=4 4893 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,1,0,0,0,0|2,0,0]=4 4894 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,1,0,0,0,0|2,0,0]=4 4895 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,1,0,0,0,0|2,0,0]=4 4896 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [1,1,0,0,0,0|2,0,0]=4 4897 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [1,1,0,0,0,0|2,0,0]=4 4898 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [1,1,0,0,0,0|2,0,0]=4 4899 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [1,1,0,0,0,0|1,0,1]=4 4900 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [1,1,0,0,0,0|2,0,0]=4 4901 B10R0.18 C=CC(C)SC(C)CCCC 62a_100011215867_200011215066 [1,1,0,0,0,0|2,0,0]=4 4902 B10R0.18 C=CC(O)CN(C)CCCC 2230a_100000207549_100000730141 [1,1,0,0,0,0|1,0,0]=3 4903 B10R0.18 C=CC(O)CN(C)CCCO 2230a_100000213112_100000730141 [1,1,0,0,0,0|2,0,0]=4 4904 B10R0.18 C=CC(O)CN(C)CCOC 2230a_100000743101_100000730141 [1,1,0,0,0,0|2,0,0]=4 4905 B10R0.18 C=CC(O)CN(C)CCSC 2230a_100000686725_100000730141 [1,1,0,0,0,0|2,0,0]=4 4906 B10R0.41 C=CC(C=C)OCCCCC 34a_100000033096_100000718602 [1,1,0,0,0,0|2,0,0]=4 4907 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [1,1,0,0,0,0|2,0,0]=4 4908 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [1,1,0,0,0,0|2,0,0]=4 4909 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [1,1,0,0,0,0|0,0,0]=2 4910 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [1,1,0,0,0,0|0,0,0]=2 4911 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [1,1,0,0,0,0|0,0,0]=2 4912 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [1,1,0,0,0,0|0,0,0]=2 4913 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [1,1,0,0,0,0|1,0,0]=3 4914 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [1,1,0,0,0,0|1,0,0]=3 4915 B10R0.41 C=C[C@@H](CO)NCCCCF 2230a_100016989147_100000729493 [1,1,0,0,0,0|2,0,0]=4 4916 B10R0.41 C=C[C@@H](CO)NCCCCF 34a_100016989147_100000729493 [1,1,0,0,0,0|2,0,0]=4 4917 B10R0.41 C=C[C@@H](CO)NCCCCO 2230a_100016989147_100000210776 [1,1,0,0,0,0|2,0,0]=4 4918 B10R0.41 C=C[C@@H](CO)NCCCCO 34a_100016989147_100011216708 [1,1,0,0,0,0|2,0,0]=4 4919 B10R0.41 C=C[C@@H](CO)NCCCOC 2230a_100016989147_100000740836 [1,1,0,0,0,0|2,0,0]=4 4920 B10R0.41 C=C[C@@H](CO)NCCCOC 34a_100016989147_100000740836 [1,1,0,0,0,0|2,0,0]=4 4921 B10R0.41 C=C[C@@H](CO)NCCOCC 2230a_100016989147_100011215890 [1,1,0,0,0,0|2,0,0]=4 4922 B10R0.41 C=C[C@@H](CO)NCCOCC 34a_100016989147_100000210147 [1,1,0,0,0,0|2,0,0]=4 4923 B10R0.41 C=C[C@@H](CO)NCCSCC 2230a_100016989147_100000757381 [1,1,0,0,0,0|2,0,0]=4 4924 B10R0.41 C=C[C@@H](CO)NCCSCC 34a_100016989147_100000757381 [1,1,0,0,0,0|2,0,0]=4 4925 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [1,1,0,0,0,0|0,0,2]=4 4926 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [1,1,0,0,0,0|0,0,2]=4 4927 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [1,1,0,0,0,0|0,0,2]=4 4928 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [1,1,0,0,0,0|0,0,2]=4 4929 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [1,1,0,0,0,0|2,0,0]=4 4930 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [1,1,0,0,0,0|2,0,0]=4 4931 B10R0.59 C=CC(C)COCC(O)CC 34a_100011215527_100011218378 [1,1,0,0,0,0|2,0,0]=4 4932 B10R0.59 C=CC(C)COCC(O)CC 7a_100011215527_100011218378 [1,1,0,0,0,0|2,0,0]=4 4933 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [1,1,0,0,0,0|2,0,0]=4 4934 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [1,1,0,0,0,0|2,0,0]=4 4935 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [1,1,0,0,0,0|1,0,0]=3 4936 B10R0.59 C=CC(O)CNCC(C)CO 34a_100000744482_100000730141 [1,1,0,0,0,0|2,0,0]=4 4937 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [1,1,0,0,0,0|1,0,0]=3 4938 B10R0.59 C=CC(O)CNC[C@@H](C)OC 2230a_100020591295_100000730141 [1,1,0,0,0,0|2,0,0]=4 4939 B10R0.59 C=CC(O)CNC[C@@H](F)CO 34a_100015665980_100000730141 [1,1,0,0,0,0|2,0,0]=4 4940 B10R0.59 C=CC(O)CNC[C@H](O)CO 2230a_100020644852_100000730141 [1,1,0,0,0,0|2,0,0]=4 4941 B10R0.59 C=CC(O)COCC(=O)CC 34a_100000725409_100000730141 [1,1,0,0,0,0|1,0,1]=4 4942 B10R0.59 C=CC(O)COCC(C)CN 34a_100000744482_100000730141 [1,1,0,0,0,0|2,0,0]=4 4943 B10R0.59 C=CC(O)COCC(C)OC 34a_100000690652_100000730141 [1,1,0,0,0,0|2,0,0]=4 4944 B10R0.59 C=CC(O)COCC(Cl)CCl 34a_100000033668_100000730141 [1,1,0,0,0,0|2,0,0]=4 4945 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [1,1,0,0,0,0|1,0,0]=3 4946 B10R0.59 C=CC(O)COC[C@H](F)CN 34a_100015665980_100000730141 [1,1,0,0,0,0|2,0,0]=4 4947 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000730141_100000747405 [1,1,0,0,0,0|1,0,1]=4 4948 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000747405_100000730141 [1,1,0,0,0,0|1,0,1]=4 4949 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [1,1,0,0,0,0|1,0,0]=3 4950 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [1,1,0,0,0,0|1,0,0]=3 4951 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [1,1,0,0,0,0|1,0,0]=3 4952 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [1,1,0,0,0,0|1,0,0]=3 4953 B10R0.59 C=CC(O)CSCC(O)CO 62a_100000730141_100011219619 [1,1,0,0,0,0|2,0,0]=4 4954 B10R0.59 C=CC(O)CSCC(O)CO 62a_100011219619_100000730141 [1,1,0,0,0,0|2,0,0]=4 4955 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [1,1,0,0,0,0|1,0,0]=3 4956 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [1,1,0,0,0,0|1,0,0]=3 4957 B10R0.59 C=CC(O)CSC[C@@H](C)CO 62a_100000059175_100000730141 [1,1,0,0,0,0|2,0,0]=4 4958 B10R0.59 C=CC(O)CSC[C@@H](C)CO 62a_100000730141_100000059175 [1,1,0,0,0,0|2,0,0]=4 4959 B10R0.59 C=CC(O)CSC[C@@H](O)CF 62a_100000730141_100015614560 [1,1,0,0,0,0|2,0,0]=4 4960 B10R0.59 C=CC(O)CSC[C@@H](O)CF 62a_100015614560_100000730141 [1,1,0,0,0,0|2,0,0]=4 4961 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100000730141_100009815848 [1,1,0,0,0,0|2,0,0]=4 4962 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100009815848_100000730141 [1,1,0,0,0,0|2,0,0]=4 4963 B10R0.59 C=C[C@H](N)COCC(C)CC 34a_100016989147_100000748023 [1,1,0,0,0,0|2,0,0]=4 4964 B10R0.59 C=C[C@H](N)COCC(O)CC 34a_100016989147_100011218378 [1,1,0,0,0,0|2,0,0]=4 4965 B10R0.59 C=C[C@H](N)COC[C@@H](C)CC 34a_100016989147_100009816398 [1,1,0,0,0,0|2,0,0]=4 4966 B10R0.62 C=CC(C)(C)OCCCCC 34a_100011215311_100000718602 [1,1,0,0,0,0|2,0,0]=4 4967 B10R0.62 C=CC(C)(C)OCCCCC 7a_100011215311_100000210326 [1,1,0,0,0,0|2,0,0]=4 4968 B10R0.62 C=CC(F)(F)SCCCCC 62a_100000210326_100009814244 [1,1,0,0,0,0|2,0,0]=4 4969 B10R0.62 C=CC(F)(F)SCCCCC 62a_100009814244_100000210326 [1,1,0,0,0,0|2,0,0]=4 4970 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [1,1,0,0,0,0|0,0,2]=4 4971 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [1,1,0,0,0,0|1,0,1]=4 4972 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [1,1,0,0,0,0|2,0,0]=4 4973 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 34a_100015455354_100000210210 [1,1,0,0,0,0|2,0,0]=4 4974 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7a_100015455354_100000210211 [1,1,0,0,0,0|2,0,0]=4 4975 B10R0.108 C=CC(C)COC(C)CCC 34a_100011215527_100000766640 [1,1,0,0,0,0|2,0,0]=4 4976 B10R0.108 C=CC(C)COC(C)CCC 7a_100011215527_100000766640 [1,1,0,0,0,0|2,0,0]=4 4977 B10R0.108 C=CC(C)OCC(C)CCC 34a_100000695699_100011216630 [1,1,0,0,0,0|2,0,0]=4 4978 B10R0.108 C=CC(C)SCC(C)CCC 62a_100011215867_100011216630 [1,1,0,0,0,0|2,0,0]=4 4979 B10R0.108 C=CC(O)CNC(C)CCC 2230a_100000741246_100000730141 [1,1,0,0,0,0|1,0,0]=3 4980 B10R0.108 C=CC(O)CN[C@H](C)CCO 2230a_100000706166_100000730141 [1,1,0,0,0,0|2,0,0]=4 4981 B10R0.108 C=CC(O)CN[C@H](C)CCO 34a_100000706166_100000730141 [1,1,0,0,0,0|2,0,0]=4 4982 B10R0.108 C=CC(O)CN[C@H](C)COC 2230a_100000764878_100000730141 [1,1,0,0,0,0|2,0,0]=4 4983 B10R0.108 C=CC(O)COC(C)CCBr 34a_100012276601_100000730141 [1,1,0,0,0,0|2,0,0]=4 4984 B10R0.108 C=CC(O)COC(C)CCC 34a_100000764384_100000730141 [1,1,0,0,0,0|1,0,0]=3 4985 B10R0.108 C=CC(O)COC(C)CCC 7a_100000764384_100000730141 [1,1,0,0,0,0|1,0,0]=3 4986 B10R0.108 C=CC(O)CO[C@H](C)COC 34a_100011934205_100000730141 [1,1,0,0,0,0|2,0,0]=4 4987 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000730141_100000766640 [1,1,0,0,0,0|1,0,0]=3 4988 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000766640_100000730141 [1,1,0,0,0,0|1,0,0]=3 4989 B10R0.108 C=CC(O)CSC(C)CCO 62a_100000730141_100009893172 [1,1,0,0,0,0|2,0,0]=4 4990 B10R0.108 C=CC(O)CSC(C)CCO 62a_100009893172_100000730141 [1,1,0,0,0,0|2,0,0]=4 4991 B10R0.108 C=CC(O)CSC(C)COC 62a_100000730141_100000765312 [1,1,0,0,0,0|2,0,0]=4 4992 B10R0.108 C=CC(O)CSC(C)COC 62a_100000765312_100000730141 [1,1,0,0,0,0|2,0,0]=4 4993 B10R0.108 C=C[C@H](N)COC(C)CCC 34a_100016989147_100000766640 [1,1,0,0,0,0|2,0,0]=4 4994 B12R0.1 C/C=C/C(C)OCCCCCCC 34a_200102604097_100000210614 [0,2,0,0,0,0|1,0,0]=3 4995 B12R0.1 C/C=C/C(C)OCCCCCCF 34a_200102604097_100015922095 [0,2,0,0,0,0|2,0,0]=4 4996 B12R0.1 C/C=C/C(C)OCCCCCCO 34a_200102604097_100000766143 [0,2,0,0,0,0|2,0,0]=4 4997 B12R0.1 C/C=C/C(C)OCCOCCCC 34a_200102604097_100000743108 [0,2,0,0,0,0|2,0,0]=4 4998 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|0,0,2]=4 4999 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|0,0,2]=4 5000 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|0,0,2]=4 5001 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|0,0,2]=4 5002 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,2,0,0,0,0|0,0,2]=4 5003 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|0,0,2]=4 5004 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|0,0,2]=4 5005 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|0,0,2]=4 5006 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|0,0,2]=4 5007 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,2,0,0,0,0|1,0,0]=3 5008 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,2,0,0,0,0|1,0,0]=3 5009 B12R0.1 C=CCC(C)COCCCCCF 34a_100009832082_100000729378 [0,2,0,0,0,0|2,0,0]=4 5010 B12R0.1 C=CCC(C)COCCCCCF 7a_100009832082_100000729378 [0,2,0,0,0,0|2,0,0]=4 5011 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,2,0,0,0,0|2,0,0]=4 5012 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,2,0,0,0,0|2,0,0]=4 5013 B12R0.1 C=CCC(C)COCCCCOC 34a_100009832082_100000755781 [0,2,0,0,0,0|2,0,0]=4 5014 B12R0.1 C=CCC(C)COCCCCOC 7a_100009832082_100000730899 [0,2,0,0,0,0|2,0,0]=4 5015 B12R0.1 C=CCC(C)COCCCOCC 34a_100009832082_100012232248 [0,2,0,0,0,0|2,0,0]=4 5016 B12R0.1 C=CCC(C)COCCCOCC 7a_100009832082_100012232248 [0,2,0,0,0,0|2,0,0]=4 5017 B12R0.1 C=CCC(C)COCCOCCC 34a_100009832082_100011215938 [0,2,0,0,0,0|2,0,0]=4 5018 B12R0.1 C=CCC(C)COCCOCCC 7a_100009832082_100011215938 [0,2,0,0,0,0|2,0,0]=4 5019 B12R0.1 C=CCC(C)COCOCCCC 34a_100009832082_100011995733 [0,2,0,0,0,0|2,0,0]=4 5020 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [0,2,0,0,0,0|2,0,0]=4 5021 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [0,2,0,0,0,0|2,0,0]=4 5022 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [0,2,0,0,0,0|2,0,0]=4 5023 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [0,2,0,0,0,0|2,0,0]=4 5024 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [0,2,0,0,0,0|2,0,0]=4 5025 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [0,2,0,0,0,0|2,0,0]=4 5026 B12R0.1 C=CCN(C)CCCCCCOC 2230a_100000225617_100011998445 [0,2,0,0,0,0|2,0,0]=4 5027 B12R0.1 C=CCN(C)CCCCCCOC 269982a_100000225617_100011998445 [0,2,0,0,0,0|2,0,0]=4 5028 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,2,0,0,0,0|1,0,0]=3 5029 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,2,0,0,0,0|1,0,0]=3 5030 B12R0.1 C=CC[C@@H](C)OCCCCCCF 34a_100000731007_100015922095 [0,2,0,0,0,0|2,0,0]=4 5031 B12R0.1 C=CC[C@@H](C)OCCCCCCF 7a_100000731007_100015922095 [0,2,0,0,0,0|2,0,0]=4 5032 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [0,2,0,0,0,0|2,0,0]=4 5033 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [0,2,0,0,0,0|2,0,0]=4 5034 B12R0.1 C=CC[C@@H](C)OCCOCCCC 34a_100000731007_100000743108 [0,2,0,0,0,0|2,0,0]=4 5035 B12R0.1 C=CC[C@@H](C)OCCOCCCC 7a_100000731007_100000743108 [0,2,0,0,0,0|2,0,0]=4 5036 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,2,0,0,0,0|1,0,0]=3 5037 B12R0.1 C=CC[C@@H](N)COCCCCCF 34a_100020615467_100000729378 [0,2,0,0,0,0|2,0,0]=4 5038 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,2,0,0,0,0|2,0,0]=4 5039 B12R0.1 C=CC[C@@H](N)COCCCCOC 34a_100020615467_100000755781 [0,2,0,0,0,0|2,0,0]=4 5040 B12R0.1 C=CC[C@@H](N)COCCCOCC 34a_100020615467_100012232248 [0,2,0,0,0,0|2,0,0]=4 5041 B12R0.1 C=CC[C@@H](N)COCCOCCC 34a_100020615467_100011215938 [0,2,0,0,0,0|2,0,0]=4 5042 B12R0.1 C=CC[C@@H](N)COCOCCCC 34a_100020615467_100011995733 [0,2,0,0,0,0|2,0,0]=4 5043 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,2,0,0,0,0|0,0,2]=4 5044 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,2,0,0,0,0|0,0,2]=4 5045 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,2,0,0,0,0|0,0,2]=4 5046 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,2,0,0,0,0|0,0,2]=4 5047 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|0,0,2]=4 5048 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|0,0,2]=4 5049 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,2,0,0,0,0|0,0,2]=4 5050 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|0,0,2]=4 5051 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|0,0,2]=4 5052 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|0,0,2]=4 5053 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,2,0,0,0,0|0,0,2]=4 5054 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,2,0,0,0,0|0,0,2]=4 5055 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,2,0,0,0,0|0,0,2]=4 5056 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,2,0,0,0,0|0,0,2]=4 5057 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,2,0,0,0,0|0,0,2]=4 5058 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,2,0,0,0,0|0,0,2]=4 5059 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,2,0,0,0,0|0,0,2]=4 5060 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,2,0,0,0,0|0,0,2]=4 5061 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,2,0,0,0,0|0,0,2]=4 5062 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,2,0,0,0,0|0,0,2]=4 5063 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,2,0,0,0,0|0,0,2]=4 5064 B12R0.1 CCCCCCNC[C@@H](O)CC#N 2230a_100000210581_100000001066 [0,2,0,0,0,0|0,0,2]=4 5065 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,2,0,0,0,0|0,0,2]=4 5066 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,2,0,0,0,0|0,0,2]=4 5067 B12R0.1 CCCCCCOC[C@@H](O)CC#N 7a_100000210259_100000001066 [0,2,0,0,0,0|0,0,2]=4 5068 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,2,0,0,0,0|0,0,2]=4 5069 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,2,0,0,0,0|0,0,2]=4 5070 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210757 [0,2,0,0,0,0|0,0,2]=4 5071 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000210314_100000001066 [0,2,0,0,0,0|0,0,2]=4 5072 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,2,0,0,0,0|0,0,2]=4 5073 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,2,0,0,0,0|0,0,2]=4 5074 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,2,0,0,0,0|0,0,2]=4 5075 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,2,0,0,0,0|0,0,2]=4 5076 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,2,0,0,0,0|0,0,2]=4 5077 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,2,0,0,0,0|0,0,2]=4 5078 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|0,0,2]=4 5079 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 5080 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 5081 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 5082 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 5083 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,2,0,0,0,0|0,0,2]=4 5084 B12R0.4 C=C(F)CN(C)CCCCCCC 2230a_100000228206_100009893438 [0,2,0,0,0,0|2,0,0]=4 5085 B12R0.4 C=C(F)CN(C)CCCCCCC 269982a_100000228206_100009893438 [0,2,0,0,0,0|2,0,0]=4 5086 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,2,0,0,0,0|0,0,2]=4 5087 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,2,0,0,0,0|0,0,2]=4 5088 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,2,0,0,0,0|0,0,2]=4 5089 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,2,0,0,0,0|0,0,2]=4 5090 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|0,0,1]=3 5091 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|0,0,1]=3 5092 B12R0.4 CCCCCCOC(C)C=C(C)C 34a_100000717055_100000210314 [0,2,0,0,0,0|2,0,0]=4 5093 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,2,0,0,0,0|1,0,1]=4 5094 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,2,0,0,0,0|1,0,1]=4 5095 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,2,0,0,0,0|0,0,2]=4 5096 B12R0.49 C/C=C(\C)/C(C)NCCCCCC 269862a_100000210581_100020675665 [0,2,0,0,0,0|2,0,0]=4 5097 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,2,0,0,0,0|1,0,0]=3 5098 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,2,0,0,0,0|0,0,2]=4 5099 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,2,0,0,0,0|0,0,2]=4 5100 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,2,0,0,0,0|1,0,0]=3 5101 B12R0.49 C=CC(C)C(=O)CCCCCCF 1458a_100011216780_100015922095 [0,2,0,0,0,0|1,0,1]=4 5102 B12R0.49 C=CC(C)C(=O)CCCCCCO 1458a_100011216780_100000766143 [0,2,0,0,0,0|1,0,1]=4 5103 B12R0.49 C=CC(C)C(=O)CCOCCCC 1458a_100011216780_100000743108 [0,2,0,0,0,0|1,0,1]=4 5104 B12R0.49 C=CC(C)C(=O)NCCCCCC 11a_100000210581_100011216780 [0,2,0,0,0,0|1,0,1]=4 5105 B12R0.49 C=CC(C)C(=O)NCCCCCC 1626a_100000210581_100011216780 [0,2,0,0,0,0|1,0,1]=4 5106 B12R0.49 C=CC(C)C(=O)NCCCCCC 240690a_100000210581_100011216780 [0,2,0,0,0,0|1,0,1]=4 5107 B12R0.49 C=CC(C)C(=O)NCCCCCC 527a_100000210581_100011216780 [0,2,0,0,0,0|1,0,1]=4 5108 B12R0.49 C=CC(C)N(C)CCCCCCC 269982a_100000228206_100011215867 [0,2,0,0,0,0|1,0,0]=3 5109 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCC 34a_100015455354_100000210314 [0,2,0,0,0,0|1,0,0]=3 5110 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCC 7a_100015455354_100000210314 [0,2,0,0,0,0|1,0,0]=3 5111 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCF 34a_100015455354_100000729378 [0,2,0,0,0,0|2,0,0]=4 5112 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCF 7a_100015455354_100000729378 [0,2,0,0,0,0|2,0,0]=4 5113 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCO 34a_100015455354_100000746330 [0,2,0,0,0,0|2,0,0]=4 5114 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCO 7a_100015455354_100000746330 [0,2,0,0,0,0|2,0,0]=4 5115 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCOC 34a_100015455354_100000755781 [0,2,0,0,0,0|2,0,0]=4 5116 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCOC 7a_100015455354_100000730899 [0,2,0,0,0,0|2,0,0]=4 5117 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCOCC 34a_100015455354_100012232248 [0,2,0,0,0,0|2,0,0]=4 5118 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCOCC 7a_100015455354_100012232248 [0,2,0,0,0,0|2,0,0]=4 5119 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCOCCC 34a_100015455354_100011215938 [0,2,0,0,0,0|2,0,0]=4 5120 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCOCCC 7a_100015455354_100011215938 [0,2,0,0,0,0|2,0,0]=4 5121 B12R0.49 C=C[C@@H](C)[C@@H](C)OCOCCCC 34a_100015455354_100011995733 [0,2,0,0,0,0|2,0,0]=4 5122 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|0,0,2]=4 5123 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|1,0,1]=4 5124 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|1,0,1]=4 5125 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|1,0,1]=4 5126 B12R0.101 C=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000210623 [0,2,0,0,0,0|0,0,2]=4 5127 B12R0.101 C=CCC(C)COC(C)CCCC 34a_100009832082_200011215066 [0,2,0,0,0,0|2,0,0]=4 5128 B12R0.101 C=CCC(C)COC(C)CCCC 7a_100009832082_200011215066 [0,2,0,0,0,0|2,0,0]=4 5129 B12R0.101 C=CC[C@@H](N)COC(C)CCCC 34a_100020615467_200011215066 [0,2,0,0,0,0|2,0,0]=4 5130 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,2,0,0,0,0|0,0,2]=4 5131 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,2,0,0,0,0|0,0,2]=4 5132 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,2,0,0,0,0|1,0,1]=4 5133 B12R0.114 C=CCN(C)C(C)CCCCCC 2230a_100000225617_100011215978 [0,2,0,0,0,0|2,0,0]=4 5134 B12R0.114 C=CCN(C)C(C)CCCCCC 269982a_100000225617_100011215978 [0,2,0,0,0,0|2,0,0]=4 5135 B12R0.114 C=CCN(C)C(C)CCCCCC 270004a_100000225617_100000210826 [0,2,0,0,0,0|2,0,0]=4 5136 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,2,0,0,0,0|0,0,2]=4 5137 B12R0.114 CCCCCCC(C)C(=O)C=CBr 1458a_100016273825_100011215978 [0,2,0,0,0,0|0,0,2]=4 5138 B12R0.114 CCCCCCC(C)C(=O)C=CCl 1458a_200016279998_100011215978 [0,2,0,0,0,0|0,0,2]=4 5139 B12R0.114 CCCCCCC(C)C(=O)C=CI 1458a_100016256311_100011215978 [0,2,0,0,0,0|0,0,2]=4 5140 B12R0.121 C=CC(CCC)OCCCCCC 34a_100011216692_100000210314 [0,2,0,0,0,0|2,0,0]=4 5141 B12R0.121 C=CC(CCC)OCCCCCC 7a_100011216692_100000210314 [0,2,0,0,0,0|2,0,0]=4 5142 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,2,0,0,0,0|0,0,0]=2 5143 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,2,0,0,0,0|0,0,0]=2 5144 B12R0.121 C=CC(CCCCCCC)OCF 34a_200011934235_100015361967 [0,2,0,0,0,0|0,0,0]=2 5145 B12R0.121 C=CC(CCCCCCC)OCF 7a_200011934235_100015361967 [0,2,0,0,0,0|0,0,0]=2 5146 B12R0.121 C=CCC(C=C)OCCCCCC 34a_100000038011_100000210314 [0,2,0,0,0,0|2,0,0]=4 5147 B12R0.121 C=CCC(C=C)OCCCCCC 7a_100000038011_100000210314 [0,2,0,0,0,0|2,0,0]=4 5148 B12R0.121 C=CCN(CC)CCCCCCC 2230a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 5149 B12R0.121 C=CCN(CC)CCCCCCC 269982a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 5150 B12R0.121 C=CC[C@H](CO)NCCCCCC 2230a_100020615467_100000210314 [0,2,0,0,0,0|1,0,0]=3 5151 B12R0.121 C=CC[C@H](CO)NCCCCCF 2230a_100020615467_100000729378 [0,2,0,0,0,0|2,0,0]=4 5152 B12R0.121 C=CC[C@H](CO)NCCCCCO 2230a_100020615467_100000746330 [0,2,0,0,0,0|2,0,0]=4 5153 B12R0.121 C=CC[C@H](CO)NCCCCOC 2230a_100020615467_100000730899 [0,2,0,0,0,0|2,0,0]=4 5154 B12R0.121 C=CC[C@H](CO)NCCCOCC 2230a_100020615467_100012232248 [0,2,0,0,0,0|2,0,0]=4 5155 B12R0.121 C=CC[C@H](CO)NCCOCCC 2230a_100020615467_100011215938 [0,2,0,0,0,0|2,0,0]=4 5156 B12R0.121 C=CC[C@H](CO)NCOCCCC 2230a_100020615467_100011995733 [0,2,0,0,0,0|2,0,0]=4 5157 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,2,0,0,0,0|0,0,2]=4 5158 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,2,0,0,0,0|0,0,2]=4 5159 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,2,0,0,0,0|0,0,2]=4 5160 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,2,0,0,0,0|0,0,2]=4 5161 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|0,0,2]=4 5162 B12R0.206 C/C=C/CN(C)CCCCCCC 269982a_100000228206_100102629194 [0,2,0,0,0,0|2,0,0]=4 5163 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,2,0,0,0,0|0,0,2]=4 5164 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|0,0,2]=4 5165 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|0,0,2]=4 5166 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,2,0,0,0,0|2,0,0]=4 5167 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,2,0,0,0,0|2,0,0]=4 5168 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,2,0,0,0,0|2,0,0]=4 5169 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,2,0,0,0,0|2,0,0]=4 5170 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,2,0,0,0,0|2,0,0]=4 5171 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,2,0,0,0,0|2,0,0]=4 5172 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,2,0,0,0,0|2,0,0]=4 5173 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,2,0,0,0,0|0,0,2]=4 5174 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,2,0,0,0,0|0,0,2]=4 5175 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,2,0,0,0,0|0,0,2]=4 5176 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,2,0,0,0,0|1,0,0]=3 5177 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,2,0,0,0,0|1,0,0]=3 5178 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,2,0,0,0,0|1,0,0]=3 5179 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,2,0,0,0,0|1,0,0]=3 5180 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,2,0,0,0,0|1,0,0]=3 5181 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,2,0,0,0,0|1,0,0]=3 5182 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,2,0,0,0,0|1,0,0]=3 5183 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|0,0,2]=4 5184 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|0,0,2]=4 5185 B12R0.206 CC=CCN(C)CCCCCCC 2230a_100000228206_100000070051 [0,2,0,0,0,0|2,0,0]=4 5186 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|0,0,2]=4 5187 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,2,0,0,0,0|0,0,2]=4 5188 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,2,0,0,0,0|1,0,1]=4 5189 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,2,0,0,0,0|1,0,1]=4 5190 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,2,0,0,0,0|1,0,1]=4 5191 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,2,0,0,0,0|1,0,1]=4 5192 B12R0.239 C/C=C/C(C)OC(C)CCCCC 34a_200102604097_200011218191 [0,2,0,0,0,0|2,0,0]=4 5193 B12R0.239 C=CC[C@@H](C)OC(C)CCCCC 34a_100000731007_200011218191 [0,2,0,0,0,0|2,0,0]=4 5194 B12R0.239 C=CC[C@@H](C)OC(C)CCCCC 7a_100000731007_200011218191 [0,2,0,0,0,0|2,0,0]=4 5195 B12R0.276 C=CC(O)CNCCC(=O)NCC 34a_100025743525_100000730141 [0,2,0,0,0,0|1,0,1]=4 5196 B12R0.276 C=CC(O)COCCC(C)CCC 34a_100011217855_100000730141 [0,2,0,0,0,0|0,0,0]=2 5197 B12R0.276 C=CC(O)COCCC(C)CCC 7a_100011217855_100000730141 [0,2,0,0,0,0|0,0,0]=2 5198 B12R0.276 C=CC(O)COCC[C@@H](N)CCC 34a_100015193777_100000730141 [0,2,0,0,0,0|0,0,0]=2 5199 B12R0.276 C=CC(O)CSCCC(=O)NCC 62a_100000730141_100000737597 [0,2,0,0,0,0|1,0,1]=4 5200 B12R0.276 C=CC(O)CSCCC(=O)NCC 62a_100000737597_100000730141 [0,2,0,0,0,0|1,0,1]=4 5201 B12R0.276 C=CC(O)CSCCC(=O)OCC 62a_100000730141_100000765890 [0,2,0,0,0,0|1,0,1]=4 5202 B12R0.276 C=CC(O)CSCCC(=O)OCC 62a_100000765890_100000730141 [0,2,0,0,0,0|1,0,1]=4 5203 B12R0.276 C=CC(O)CSCOC(=O)CCC 62a_100000730141_100000034017 [0,2,0,0,0,0|1,0,1]=4 5204 B12R0.276 CCCC(C)CCOCC(O)CC 34a_100011217855_100011218378 [0,2,0,0,0,0|0,0,2]=4 5205 B12R0.276 CCCC(C)CCOCC(O)CC 7a_100011217855_100011218378 [0,2,0,0,0,0|0,0,2]=4 5206 B12R0.276 CCCC(C)CCOCC(O)CO 34a_100011217855_100011219619 [0,2,0,0,0,0|1,0,1]=4 5207 B12R0.276 CCCC(C)CCOCC(O)CO 7a_100011217855_100011219619 [0,2,0,0,0,0|1,0,1]=4 5208 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 34a_100011217855_100015614560 [0,2,0,0,0,0|1,0,1]=4 5209 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 7a_100011217855_100015614560 [0,2,0,0,0,0|1,0,1]=4 5210 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 34a_100011217855_100009815848 [0,2,0,0,0,0|1,0,1]=4 5211 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 7a_100011217855_100009815848 [0,2,0,0,0,0|1,0,1]=4 5212 B12R0.276 CCC[C@H](N)CCOCC(O)CC 34a_100015193777_100011218378 [0,2,0,0,0,0|0,0,2]=4 5213 B12R0.276 CCC[C@H](N)CCOCC(O)CO 34a_100015193777_100011219619 [0,2,0,0,0,0|1,0,1]=4 5214 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CF 34a_100015193777_100015614560 [0,2,0,0,0,0|1,0,1]=4 5215 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CO 34a_100015193777_100009815848 [0,2,0,0,0,0|1,0,1]=4 5216 B12R0.277 C/C=C/C(C)OCCCCC(C)C 34a_200102604097_100011216152 [0,2,0,0,0,0|2,0,0]=4 5217 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000210193_100000210682 [0,2,0,0,0,0|0,0,2]=4 5218 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210623 [0,2,0,0,0,0|0,0,2]=4 5219 B12R0.277 C=CCC(C)COCCCC(C)C 34a_100009832082_100011214892 [0,2,0,0,0,0|2,0,0]=4 5220 B12R0.277 C=CCC(C)COCCCC(C)C 7a_100009832082_100011214892 [0,2,0,0,0,0|2,0,0]=4 5221 B12R0.277 C=CCC(C)COCCCC(C)O 34a_100009832082_200000718107 [0,2,0,0,0,0|2,0,0]=4 5222 B12R0.277 C=CCC(C)COCCCC(C)O 7a_100009832082_200000718107 [0,2,0,0,0,0|2,0,0]=4 5223 B12R0.277 C=CCN(C)CCCCCC(C)C 2230a_100000225617_100000210682 [0,2,0,0,0,0|2,0,0]=4 5224 B12R0.277 C=CCN(C)CCCCCC(C)C 269982a_100000225617_100000210682 [0,2,0,0,0,0|2,0,0]=4 5225 B12R0.277 C=CC[C@@H](C)OCCCCC(C)C 34a_100000731007_100011216152 [0,2,0,0,0,0|2,0,0]=4 5226 B12R0.277 C=CC[C@@H](C)OCCCCC(C)C 7a_100000731007_100011216152 [0,2,0,0,0,0|2,0,0]=4 5227 B12R0.277 C=CC[C@@H](N)COCCCC(C)C 34a_100020615467_100011214892 [0,2,0,0,0,0|2,0,0]=4 5228 B12R0.277 C=CC[C@@H](N)COCCCC(C)O 34a_100020615467_200000718107 [0,2,0,0,0,0|2,0,0]=4 5229 B12R0.277 CC(C)CCCCCC(=O)C=CBr 1458a_100016273825_100000210682 [0,2,0,0,0,0|0,0,2]=4 5230 B12R0.277 CC(C)CCCCCC(=O)C=CCl 1458a_200016279998_100000210682 [0,2,0,0,0,0|0,0,2]=4 5231 B12R0.277 CC(C)CCCCCC(=O)C=CI 1458a_100016256311_100000210682 [0,2,0,0,0,0|0,0,2]=4 5232 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [0,2,0,0,0,0|0,0,2]=4 5233 B12R0.285 C=CCC(C)COCC(C)CCC 34a_100009832082_100011216630 [0,2,0,0,0,0|2,0,0]=4 5234 B12R0.285 C=CCC(C)COCC(C)CCC 7a_100009832082_100011216630 [0,2,0,0,0,0|2,0,0]=4 5235 B12R0.285 C=CC[C@@H](N)COCC(C)CCC 34a_100020615467_100011216630 [0,2,0,0,0,0|2,0,0]=4 5236 B12R0.434 C=CCC(C)(C)OCCCCCC 7a_100011995686_100000210314 [0,2,0,0,0,0|2,0,0]=4 5237 B12R0.57 C#CCCCCCN[C@@H](C=C)CO 2230a_100016989147_100012094781 [0,2,0,0,0,0|0,0,2]=4 5238 B12R0.57 C#CCCCCCN[C@@H](C=C)CO 34a_100016989147_100012094781 [0,2,0,0,0,0|0,0,2]=4 5239 B12R0.57 C=CC(C=C)OCCCCCCC 34a_100000033096_100000210614 [0,2,0,0,0,0|1,0,0]=3 5240 B12R0.57 C=CC(C=C)OCCCCCCF 34a_100000033096_100015922095 [0,2,0,0,0,0|2,0,0]=4 5241 B12R0.57 C=CC(C=C)OCCCCCCO 34a_100000033096_100000766143 [0,2,0,0,0,0|2,0,0]=4 5242 B12R0.57 C=CC(C=C)OCCOCCCC 34a_100000033096_100000743108 [0,2,0,0,0,0|2,0,0]=4 5243 B12R0.57 C=CC(CC)OCCCCCCC 34a_100000766422_100000210614 [0,2,0,0,0,0|1,0,0]=3 5244 B12R0.57 C=CC(CC)OCCCCCCC 7a_100000766422_100000210614 [0,2,0,0,0,0|1,0,0]=3 5245 B12R0.57 C=CC(CC)OCCCCCCF 34a_100000766422_100015922095 [0,2,0,0,0,0|2,0,0]=4 5246 B12R0.57 C=CC(CC)OCCCCCCF 7a_100000766422_100015922095 [0,2,0,0,0,0|2,0,0]=4 5247 B12R0.57 C=CC(CC)OCCCCCCO 34a_100000766422_100000766143 [0,2,0,0,0,0|2,0,0]=4 5248 B12R0.57 C=CC(CC)OCCCCCCO 7a_100000766422_100000766143 [0,2,0,0,0,0|2,0,0]=4 5249 B12R0.57 C=CC(CC)OCCOCCCC 34a_100000766422_100000743108 [0,2,0,0,0,0|2,0,0]=4 5250 B12R0.57 C=CC(CC)OCCOCCCC 7a_100000766422_100000743108 [0,2,0,0,0,0|2,0,0]=4 5251 B12R0.57 C=CCCCCCN[C@@H](C=C)CO 2230a_100016989147_100000700193 [0,2,0,0,0,0|0,0,2]=4 5252 B12R0.57 C=CCCCCCN[C@@H](C=C)CO 34a_100016989147_100000700193 [0,2,0,0,0,0|0,0,2]=4 5253 B12R0.57 C=C[C@@H](CO)NCCCCCC#N 2230a_100016989147_100009813376 [0,2,0,0,0,0|1,0,1]=4 5254 B12R0.57 C=C[C@@H](CO)NCCCCCC=O 2230a_100016989147_100000139337 [0,2,0,0,0,0|1,0,1]=4 5255 B12R0.57 C=C[C@@H](CO)NCCCCCCC 2230a_100016989147_100000210681 [0,2,0,0,0,0|0,0,0]=2 5256 B12R0.57 C=C[C@@H](CO)NCCCCCCC 34a_100016989147_100000210614 [0,2,0,0,0,0|0,0,0]=2 5257 B12R0.57 C=C[C@@H](CO)NCCCCCCF 2230a_100016989147_100015922095 [0,2,0,0,0,0|1,0,0]=3 5258 B12R0.57 C=C[C@@H](CO)NCCCCCCF 34a_100016989147_100015922095 [0,2,0,0,0,0|1,0,0]=3 5259 B12R0.57 C=C[C@@H](CO)NCCCCCCO 2230a_100016989147_100000766143 [0,2,0,0,0,0|1,0,0]=3 5260 B12R0.57 C=C[C@@H](CO)NCCCCCCO 34a_100016989147_100000766143 [0,2,0,0,0,0|1,0,0]=3 5261 B12R0.57 C=C[C@@H](CO)NCCOCCCC 2230a_100016989147_100000743108 [0,2,0,0,0,0|1,0,0]=3 5262 B12R0.57 C=C[C@@H](CO)NCCOCCCC 34a_100016989147_100000743108 [0,2,0,0,0,0|1,0,0]=3 5263 B12R0.57 C=C[C@@H](CO)NCCOCCOC 2230a_100016989147_100000695917 [0,2,0,0,0,0|2,0,0]=4 5264 B12R0.57 C=C[C@@H](CO)NCCOCCOC 34a_100016989147_100000695917 [0,2,0,0,0,0|2,0,0]=4 5265 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,2,0,0,0,0|0,0,2]=4 5266 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,2,0,0,0,0|0,0,2]=4 5267 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,2,0,0,0,0|0,0,2]=4 5268 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,2,0,0,0,0|0,0,2]=4 5269 B12R0.57 CCCCCCCNC(C=O)C=O 2230a_100000229938_100000736813 [0,2,0,0,0,0|1,0,1]=4 5270 B12R0.57 CCCCCCCNC(CO)CO 2230a_100000759517_100000210681 [0,2,0,0,0,0|1,0,1]=4 5271 B12R0.57 CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210681 [0,2,0,0,0,0|0,0,2]=4 5272 B12R0.57 CCCCCCCOC(C=O)C=O 34a_100000210272_100000736813 [0,2,0,0,0,0|1,0,1]=4 5273 B12R0.57 CCCCCCCSC(C=O)C=O 62a_100000210614_100000736813 [0,2,0,0,0,0|1,0,1]=4 5274 B12R0.57 CCCCCCCSC(C=O)C=O 62a_100000736813_100000210316 [0,2,0,0,0,0|1,0,1]=4 5275 B12R0.57 CCCCCCNCC(OC)OC 2230a_100000210581_100000751394 [0,2,0,0,0,0|1,0,1]=4 5276 B12R0.57 CCCCCCNCC(OC)OC 270004a_100000210581_100000752162 [0,2,0,0,0,0|1,0,1]=4 5277 B12R0.57 CCCCCCOCC(CC)OC 34a_100011934954_100000210314 [0,2,0,0,0,0|0,0,2]=4 5278 B12R0.57 CCCCCCOCC(CC)OC 7a_100011934954_100000210314 [0,2,0,0,0,0|0,0,2]=4 5279 B12R0.57 CCCCCCOCC(OC)OC 34a_100000210259_100000211822 [0,2,0,0,0,0|1,0,1]=4 5280 B12R0.57 CCCCCCOCC(OC)OC 34a_100011216393_100000210314 [0,2,0,0,0,0|1,0,1]=4 5281 B12R0.57 CCCCCCOCC(OC)OC 7a_100000210259_100000751394 [0,2,0,0,0,0|1,0,1]=4 5282 B12R0.57 CCCCCCSCC(OC)OC 62a_100000210314_100000751394 [0,2,0,0,0,0|1,0,1]=4 5283 B12R0.57 CCCCCCSCC(OC)OC 62a_100000751394_100000210757 [0,2,0,0,0,0|1,0,1]=4 5284 B12R0.57 CCCCCNCCC(OC)OC 2230a_100000209983_100009813347 [0,2,0,0,0,0|1,0,1]=4 5285 B12R0.57 CCCCCOCCC(OC)OC 34a_100000210253_100000139399 [0,2,0,0,0,0|1,0,1]=4 5286 B12R0.57 CCCCCOCCC(OC)OC 7a_100000210253_100009813347 [0,2,0,0,0,0|1,0,1]=4 5287 B12R0.57 CCCCCSCCC(OC)OC 62a_100000139399_100000210326 [0,2,0,0,0,0|1,0,1]=4 5288 B12R0.57 CCCCCSCCC(OC)OC 62a_100000210326_100000139399 [0,2,0,0,0,0|1,0,1]=4 5289 B12R0.57 CCCCNCCCC(OC)OC 2230a_100000102301_100000069011 [0,2,0,0,0,0|1,0,1]=4 5290 B12R0.57 CCCCNCCCC(OC)OC 7a_106832991798_100000069011 [0,2,0,0,0,0|1,0,1]=4 5291 B12R0.57 CCCCOCCCC(OC)OC 34a_100000210227_100000069011 [0,2,0,0,0,0|1,0,1]=4 5292 B12R0.57 CCCCOCCCC(OC)OC 7a_100000210227_100000069011 [0,2,0,0,0,0|1,0,1]=4 5293 B12R0.57 CCCCSCCCC(OC)OC 62a_100000069011_100000210210 [0,2,0,0,0,0|1,0,1]=4 5294 B12R0.57 CCCCSCCCC(OC)OC 62a_100000210211_100000069011 [0,2,0,0,0,0|1,0,1]=4 5295 B12R0.102 C=CC(O)CNCC(=O)NCCC 2230a_100000174927_100000730141 [0,2,0,0,0,0|1,0,1]=4 5296 B12R0.102 C=CC(O)CNCC(C)OCCC 2230a_100015185124_100000730141 [0,2,0,0,0,0|1,0,0]=3 5297 B12R0.102 C=CC(O)CNCC(C)OCCC 34a_100015185124_100000730141 [0,2,0,0,0,0|1,0,0]=3 5298 B12R0.102 C=CC(O)CNCC(O)COCC 2230a_102515437182_100000730141 [0,2,0,0,0,0|1,0,0]=3 5299 B12R0.102 C=CC(O)CNCC(O)COCC 34a_102515437182_100000730141 [0,2,0,0,0,0|1,0,0]=3 5300 B12R0.102 C=CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100000730141 [0,2,0,0,0,0|1,0,0]=3 5301 B12R0.102 C=CC(O)CNC[C@H](C)CCCO 34a_100160569302_100000730141 [0,2,0,0,0,0|1,0,0]=3 5302 B12R0.102 C=CC(O)COCC(C)CCCC 34a_100011995851_100000730141 [0,2,0,0,0,0|0,0,0]=2 5303 B12R0.102 C=CC(O)COCC(C)CCCC 7a_100011995851_100000730141 [0,2,0,0,0,0|0,0,0]=2 5304 B12R0.102 C=CC(O)COC[C@@H](C)OCOC 34a_100016172286_100000730141 [0,2,0,0,0,0|2,0,0]=4 5305 B12R0.102 C=CC(O)COC[C@@H](C)OCOC 7a_100016172286_100000730141 [0,2,0,0,0,0|2,0,0]=4 5306 B12R0.102 C=CC(O)COC[C@@H](N)CCCC 34a_100011934283_100000730141 [0,2,0,0,0,0|0,0,0]=2 5307 B12R0.102 C=CC(O)COC[C@@H](N)CCSC 34a_100011827619_100000730141 [0,2,0,0,0,0|1,0,0]=3 5308 B12R0.102 C=CC(O)CSCC(=O)NCCC 62a_100000183358_100000730141 [0,2,0,0,0,0|1,0,1]=4 5309 B12R0.102 C=CC(O)CSCC(=O)NCCC 62a_100000730141_100000183358 [0,2,0,0,0,0|1,0,1]=4 5310 B12R0.102 C=CC(O)CSCC(=O)OCCC 62a_100000730141_200011215008 [0,2,0,0,0,0|1,0,1]=4 5311 B12R0.102 C=CC(O)CSCC(=O)OCCC 62a_200011215008_100000730141 [0,2,0,0,0,0|1,0,1]=4 5312 B12R0.102 CCCCC(C)COCC(O)CC 34a_100011995851_100011218378 [0,2,0,0,0,0|0,0,2]=4 5313 B12R0.102 CCCCC(C)COCC(O)CC 7a_100011995851_100011218378 [0,2,0,0,0,0|0,0,2]=4 5314 B12R0.102 CCCCC(C)COCC(O)CO 34a_100011995851_100011219619 [0,2,0,0,0,0|1,0,1]=4 5315 B12R0.102 CCCCC(C)COCC(O)CO 7a_100011995851_100011219619 [0,2,0,0,0,0|1,0,1]=4 5316 B12R0.102 CCCCC(C)COC[C@@H](O)CF 34a_100011995851_100015614560 [0,2,0,0,0,0|1,0,1]=4 5317 B12R0.102 CCCCC(C)COC[C@@H](O)CF 7a_100011995851_100015614560 [0,2,0,0,0,0|1,0,1]=4 5318 B12R0.102 CCCCC(C)COC[C@@H](O)CO 34a_100011995851_100009815848 [0,2,0,0,0,0|1,0,1]=4 5319 B12R0.102 CCCCC(C)COC[C@@H](O)CO 7a_100011995851_100009815848 [0,2,0,0,0,0|1,0,1]=4 5320 B12R0.102 CCCC[C@H](N)COCC(O)CC 34a_100011934283_100011218378 [0,2,0,0,0,0|0,0,2]=4 5321 B12R0.102 CCCC[C@H](N)COCC(O)CO 34a_100011934283_100011219619 [0,2,0,0,0,0|1,0,1]=4 5322 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CF 34a_100011934283_100015614560 [0,2,0,0,0,0|1,0,1]=4 5323 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CO 34a_100011934283_100009815848 [0,2,0,0,0,0|1,0,1]=4 5324 B12R0.113 C=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000185746 [0,2,0,0,0,0|0,0,2]=4 5325 B12R0.113 C=CC(=O)NC(C)CCCCCC 240690a_100000210919_200121576911 [0,2,0,0,0,0|0,0,2]=4 5326 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,2,0,0,0,0|1,0,0]=3 5327 B12R0.113 C=CC(C)CC(=O)CCCCCF 1458a_100011934298_100000729378 [0,2,0,0,0,0|1,0,1]=4 5328 B12R0.113 C=CC(C)CC(=O)CCCCCO 1458a_100011934298_100000746330 [0,2,0,0,0,0|1,0,1]=4 5329 B12R0.113 C=CC(C)CC(=O)CCCCOC 1458a_100011934298_100000755781 [0,2,0,0,0,0|1,0,1]=4 5330 B12R0.113 C=CC(C)CC(=O)CCCOCC 1458a_100011934298_100012232248 [0,2,0,0,0,0|1,0,1]=4 5331 B12R0.113 C=CC(C)CC(=O)CCOCCC 1458a_100011934298_100011215938 [0,2,0,0,0,0|1,0,1]=4 5332 B12R0.113 C=CC(C)CC(=O)COCCCC 1458a_100011934298_100011995733 [0,2,0,0,0,0|1,0,1]=4 5333 B12R0.113 C=CC(C)CC(=O)NCCCCC 11a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 5334 B12R0.113 C=CC(C)CC(=O)NCCCCC 1626a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 5335 B12R0.113 C=CC(C)CC(=O)NCCCCC 240690a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 5336 B12R0.113 C=CC(C)CC(=O)NCCCCC 527a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 5337 B12R0.113 C=CC(C)OC(C)CCCCCC 34a_100000695699_100011215978 [0,2,0,0,0,0|1,0,0]=3 5338 B12R0.113 C=CC(C)SC(C)CCCCCC 62a_100011215867_100011215978 [0,2,0,0,0,0|1,0,0]=3 5339 B12R0.113 C=CC(O)CN(C)CCCCCC 2230a_106256046315_100000730141 [0,2,0,0,0,0|0,0,0]=2 5340 B12R0.113 C=CC(O)CN(C)CCCCCO 2230a_100000722520_100000730141 [0,2,0,0,0,0|1,0,0]=3 5341 B12R0.113 C=CC(O)CN(C)CCOCCO 2230a_100000228057_100000730141 [0,2,0,0,0,0|2,0,0]=4 5342 B12R0.113 C=CCCCCN(C)CC(O)C=C 2230a_100012000471_100000730141 [0,2,0,0,0,0|0,0,2]=4 5343 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|0,0,2]=4 5344 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|0,0,2]=4 5345 B12R0.113 CCCCCCN(C)CC(O)CC 2230a_106256046315_100011218378 [0,2,0,0,0,0|0,0,2]=4 5346 B12R0.113 CCCCCCN(C)CC(O)CC 269982a_106256046315_100011218378 [0,2,0,0,0,0|0,0,2]=4 5347 B12R0.113 CCCCCCN(C)CC(O)CO 2230a_100011216503_100000210314 [0,2,0,0,0,0|1,0,1]=4 5348 B12R0.113 CCCCCCN(C)CC(O)CO 2230a_106256046315_100011219619 [0,2,0,0,0,0|1,0,1]=4 5349 B12R0.113 CCCCCCN(C)CC(O)CO 269982a_100011216503_100000210757 [0,2,0,0,0,0|1,0,1]=4 5350 B12R0.113 CCCCCCN(C)C[C@@H](O)CF 2230a_106256046315_100015614560 [0,2,0,0,0,0|1,0,1]=4 5351 B12R0.113 CCCCCCN(C)C[C@@H](O)CO 2230a_106256046315_100009815848 [0,2,0,0,0,0|1,0,1]=4 5352 B12R0.142 C=CC(C)COC(C)CCCCC 34a_100011215527_200011218191 [0,2,0,0,0,0|1,0,0]=3 5353 B12R0.142 C=CC(C)COC(C)CCCCC 7a_100011215527_200011218191 [0,2,0,0,0,0|1,0,0]=3 5354 B12R0.142 C=CC(C)OCC(=O)CCCCC 34a_100000695699_200012276598 [0,2,0,0,0,0|1,0,1]=4 5355 B12R0.142 C=CC(C)SCC(=O)CCCCC 62a_100011215867_200012276598 [0,2,0,0,0,0|1,0,1]=4 5356 B12R0.142 C=CC(O)CNC(C)CCCCC 2230a_100000211957_100000730141 [0,2,0,0,0,0|0,0,0]=2 5357 B12R0.142 C=CC(O)COC(C)CC#CCC 34a_200000035118_100000730141 [0,2,0,0,0,0|0,0,2]=4 5358 B12R0.142 C=CC(O)COC(C)CC#CCC 7a_200000035118_100000730141 [0,2,0,0,0,0|0,0,2]=4 5359 B12R0.142 C=CC(O)COC(C)CCCCC 34a_100011215632_100000730141 [0,2,0,0,0,0|0,0,0]=2 5360 B12R0.142 C=CC(O)COC(C)CCCCC 7a_100011215632_100000730141 [0,2,0,0,0,0|0,0,0]=2 5361 B12R0.142 C=CC(O)COC(C)CCCOC 34a_200011539412_100000730141 [0,2,0,0,0,0|1,0,0]=3 5362 B12R0.142 C=CC(O)COC(C)CCCOC 7a_200011539412_100000730141 [0,2,0,0,0,0|1,0,0]=3 5363 B12R0.142 C=CC(O)CSC(C)CCCCC 62a_100000730141_200011218191 [0,2,0,0,0,0|0,0,0]=2 5364 B12R0.142 C=CC(O)CSC(C)CCCCC 62a_200011218191_100000730141 [0,2,0,0,0,0|0,0,0]=2 5365 B12R0.142 C=C[C@H](N)COC(C)CCCCC 34a_100016989147_200011218191 [0,2,0,0,0,0|1,0,0]=3 5366 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100000211957_100011218378 [0,2,0,0,0,0|0,0,2]=4 5367 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100011218483_200011218191 [0,2,0,0,0,0|0,0,2]=4 5368 B12R0.142 CCCCCC(C)NCC(O)CC 270004a_100011218483_100000211708 [0,2,0,0,0,0|0,0,2]=4 5369 B12R0.142 CCCCCC(C)NCC(O)CO 2230a_100000211957_100011219619 [0,2,0,0,0,0|1,0,1]=4 5370 B12R0.142 CCCCCC(C)NC[C@@H](O)CF 2230a_100000211957_100015614560 [0,2,0,0,0,0|1,0,1]=4 5371 B12R0.142 CCCCCC(C)NC[C@@H](O)CO 2230a_100000211957_100009815848 [0,2,0,0,0,0|1,0,1]=4 5372 B12R0.142 CCCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011218191 [0,2,0,0,0,0|1,0,1]=4 5373 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [0,2,0,0,0,0|0,0,2]=4 5374 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [0,2,0,0,0,0|0,0,2]=4 5375 B12R0.142 CCCCCC(C)OCC(O)CO 34a_100011215632_100011219619 [0,2,0,0,0,0|1,0,1]=4 5376 B12R0.142 CCCCCC(C)OCC(O)CO 7a_100011215632_100011219619 [0,2,0,0,0,0|1,0,1]=4 5377 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 34a_100011215632_100015614560 [0,2,0,0,0,0|1,0,1]=4 5378 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 7a_100011215632_100015614560 [0,2,0,0,0,0|1,0,1]=4 5379 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 34a_100011215632_100009815848 [0,2,0,0,0,0|1,0,1]=4 5380 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 7a_100011215632_100009815848 [0,2,0,0,0,0|1,0,1]=4 5381 B12R0.142 CCCCCC(C)SCC(O)CC 62a_100011218378_200011218191 [0,2,0,0,0,0|0,0,2]=4 5382 B12R0.142 CCCCCC(C)SCC(O)CC 62a_200011218191_100011218378 [0,2,0,0,0,0|0,0,2]=4 5383 B12R0.142 CCCCCC(C)SCC(O)CO 62a_100011219619_200011218191 [0,2,0,0,0,0|1,0,1]=4 5384 B12R0.142 CCCCCC(C)SCC(O)CO 62a_200011218191_100011219619 [0,2,0,0,0,0|1,0,1]=4 5385 B12R0.142 CCCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011218191 [0,2,0,0,0,0|1,0,1]=4 5386 B12R0.142 CCCCCC(C)SC[C@@H](O)CF 62a_200011218191_100015614560 [0,2,0,0,0,0|1,0,1]=4 5387 B12R0.142 CCCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011218191 [0,2,0,0,0,0|1,0,1]=4 5388 B12R0.142 CCCCCC(C)SC[C@@H](O)CO 62a_200011218191_100009815848 [0,2,0,0,0,0|1,0,1]=4 5389 B12R0.183 C#CC(O)CCCCCC(=O)CC 1458a_100000210414_200010408556 [0,2,0,0,0,0|0,0,2]=4 5390 B12R0.183 C#CC(O)CCCCCN(C)CC 2230a_100000225621_200010408556 [0,2,0,0,0,0|0,0,2]=4 5391 B12R0.183 C#CC(O)CCCCCN(C)CC 269982a_100000225621_200010408556 [0,2,0,0,0,0|0,0,2]=4 5392 B12R0.183 C=CC(C)COCCCN(C)CC 7a_100011215527_100015186262 [0,2,0,0,0,0|2,0,0]=4 5393 B12R0.183 C=CC(O)CNCCCC(=O)NC 2230a_100000740002_100000730141 [0,2,0,0,0,0|1,0,1]=4 5394 B12R0.183 C=CC(O)CNCCCC(=O)NC 34a_100000740002_100000730141 [0,2,0,0,0,0|1,0,1]=4 5395 B12R0.183 C=CC(O)CNCCNC(=O)CC 34a_100132302217_100000730141 [0,2,0,0,0,0|1,0,1]=4 5396 B12R0.183 C=CC(O)COCCCC(C)CC 7a_100011216074_100000730141 [0,2,0,0,0,0|0,0,0]=2 5397 B12R0.183 C=CC(O)COCCC[C@@H](C)CN 34a_100160569302_100000730141 [0,2,0,0,0,0|1,0,0]=3 5398 B12R0.183 C=CC(O)COCCNC(=O)CC 34a_200000158885_100000730141 [0,2,0,0,0,0|1,0,1]=4 5399 B12R0.183 C=CC(O)COCCNC(=O)CC 7a_200000158885_100000730141 [0,2,0,0,0,0|1,0,1]=4 5400 B12R0.183 C=CC(O)COCCOC(=O)CC 7a_200000031056_100000730141 [0,2,0,0,0,0|1,0,1]=4 5401 B12R0.183 C=CC(O)CSCCCC(=O)NC 62a_100000730141_100000741757 [0,2,0,0,0,0|1,0,1]=4 5402 B12R0.183 C=CC(O)CSCCCC(=O)NC 62a_100000741757_100000730141 [0,2,0,0,0,0|1,0,1]=4 5403 B12R0.183 C=CC(O)CSCCCC(=O)OC 62a_100000730141_100011218270 [0,2,0,0,0,0|1,0,1]=4 5404 B12R0.183 C=CC(O)CSCCCC(=O)OC 62a_100011218270_100000730141 [0,2,0,0,0,0|1,0,1]=4 5405 B12R0.183 C=CC(O)CSCCCN(C)CC 62a_100000730141_100015186262 [0,2,0,0,0,0|1,0,0]=3 5406 B12R0.183 CCC(C)CCCOCC(O)CC 7a_100011216074_100011218378 [0,2,0,0,0,0|0,0,2]=4 5407 B12R0.183 CCC(C)CCCOCC(O)CO 7a_100011216074_100011219619 [0,2,0,0,0,0|1,0,1]=4 5408 B12R0.183 CCC(C)CCCOC[C@@H](O)CF 7a_100011216074_100015614560 [0,2,0,0,0,0|1,0,1]=4 5409 B12R0.183 CCC(C)CCCOC[C@@H](O)CO 7a_100011216074_100009815848 [0,2,0,0,0,0|1,0,1]=4 5410 B12R0.184 C#CC(O)CCCCCNC(C)C 2230a_100138425928_200010408556 [0,2,0,0,0,0|0,0,2]=4 5411 B12R0.184 C#CC(O)CCCCCNC(C)C 34a_100138425928_200010408556 [0,2,0,0,0,0|0,0,2]=4 5412 B12R0.184 C#CC(O)CCCCCOC(C)C 34a_100000212225_200010408556 [0,2,0,0,0,0|0,0,2]=4 5413 B12R0.184 C#CC(O)CCCCCSC(C)C 62a_100000210206_200010408556 [0,2,0,0,0,0|0,0,2]=4 5414 B12R0.184 C#CC(O)CCCCCSC(C)C 62a_200010408556_100000210206 [0,2,0,0,0,0|0,0,2]=4 5415 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [0,2,0,0,0,0|0,0,2]=4 5416 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [0,2,0,0,0,0|0,0,2]=4 5417 B12R0.184 C=CC(C)COCCCCC(=O)C 34a_100011215527_100009817362 [0,2,0,0,0,0|1,0,1]=4 5418 B12R0.184 C=CC(C)COCCCCC(=O)C 7a_100011215527_100000735457 [0,2,0,0,0,0|1,0,1]=4 5419 B12R0.184 C=CC(C)COCCCCC(C)C 34a_100011215527_100011216152 [0,2,0,0,0,0|1,0,0]=3 5420 B12R0.184 C=CC(C)COCCCCC(C)C 7a_100011215527_100011216152 [0,2,0,0,0,0|1,0,0]=3 5421 B12R0.184 C=CC(C)OCCCCCC(C)C 34a_100000695699_100000210682 [0,2,0,0,0,0|1,0,0]=3 5422 B12R0.184 C=CC(C)SCCCCCC(C)C 62a_100011215867_100000210682 [0,2,0,0,0,0|1,0,0]=3 5423 B12R0.184 C=CC(O)CNCCCCC(=O)N 34a_100000696515_100000730141 [0,2,0,0,0,0|1,0,1]=4 5424 B12R0.184 C=CC(O)CNCCCNC(=O)C 34a_100000736810_100000730141 [0,2,0,0,0,0|1,0,1]=4 5425 B12R0.184 C=CC(O)CNCCCOC(C)C 2230a_100000737246_100000730141 [0,2,0,0,0,0|1,0,0]=3 5426 B12R0.184 C=CC(O)CNCCCOC(C)C 34a_100000737246_100000730141 [0,2,0,0,0,0|1,0,0]=3 5427 B12R0.184 C=CC(O)COCCCCC(=O)N 34a_100012022536_100000730141 [0,2,0,0,0,0|1,0,1]=4 5428 B12R0.184 C=CC(O)COCCCCC(=O)N 7a_100012022536_100000730141 [0,2,0,0,0,0|1,0,1]=4 5429 B12R0.184 C=CC(O)COCCCCC(C)C 34a_100011214890_100000730141 [0,2,0,0,0,0|0,0,0]=2 5430 B12R0.184 C=CC(O)COCCCCC(C)C 7a_100011214890_100000730141 [0,2,0,0,0,0|0,0,0]=2 5431 B12R0.184 C=CC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100000730141 [0,2,0,0,0,0|2,0,0]=4 5432 B12R0.184 C=CC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100000730141 [0,2,0,0,0,0|2,0,0]=4 5433 B12R0.184 C=CC(O)COCCCNC(=O)C 34a_100000752032_100000730141 [0,2,0,0,0,0|1,0,1]=4 5434 B12R0.184 C=CC(O)COCCCNC(C)C 34a_100000182298_100000730141 [0,2,0,0,0,0|1,0,0]=3 5435 B12R0.184 C=CC(O)COCCNCC(C)C 34a_100015185251_100000730141 [0,2,0,0,0,0|1,0,0]=3 5436 B12R0.184 C=CC(O)COCCOCC(C)C 34a_100000703358_100000730141 [0,2,0,0,0,0|1,0,0]=3 5437 B12R0.184 C=CC(O)COCCOCC(C)C 7a_100000703358_100000730141 [0,2,0,0,0,0|1,0,0]=3 5438 B12R0.184 C=CC(O)COCCOCC(F)F 34a_100000704375_100000730141 [0,2,0,0,0,0|2,0,0]=4 5439 B12R0.184 C=CC(O)COCCOCC(F)F 7a_100000704375_100000730141 [0,2,0,0,0,0|2,0,0]=4 5440 B12R0.184 C=CC(O)COCCSCC(C)C 34a_200000230437_100000730141 [0,2,0,0,0,0|1,0,0]=3 5441 B12R0.184 C=CC(O)COCCSCC(C)C 7a_200000230437_100000730141 [0,2,0,0,0,0|1,0,0]=3 5442 B12R0.184 C=CC(O)CSCCCCB(O)O 62a_100000730141_200009817182 [0,2,0,0,0,0|2,0,0]=4 5443 B12R0.184 C=CC(O)CSCCCCB(O)O 62a_200009817182_100000730141 [0,2,0,0,0,0|2,0,0]=4 5444 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000730141_100000735457 [0,2,0,0,0,0|0,0,1]=3 5445 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000735457_100000730141 [0,2,0,0,0,0|0,0,1]=3 5446 B12R0.184 C=CC(O)CSCCCCC(C)C 62a_100000730141_100011216152 [0,2,0,0,0,0|0,0,0]=2 5447 B12R0.184 C=CC(O)CSCCCCC(C)C 62a_100011216152_100000730141 [0,2,0,0,0,0|0,0,0]=2 5448 B12R0.184 C=CC(O)CSCCCCN(C)C 62a_100000730141_100000690147 [0,2,0,0,0,0|1,0,0]=3 5449 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000042594_100000730141 [0,2,0,0,0,0|1,0,1]=4 5450 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000730141_100000042594 [0,2,0,0,0,0|1,0,1]=4 5451 B12R0.184 C=CC(O)CSCCCOC(=S)C 62a_100000730141_200135323944 [0,2,0,0,0,0|1,0,1]=4 5452 B12R0.184 C=CC(O)CSCCCOC(=S)C 62a_200135323944_100000730141 [0,2,0,0,0,0|1,0,1]=4 5453 B12R0.184 C=CC(O)CSCCCSC(=O)C 62a_100000038929_100000730141 [0,2,0,0,0,0|1,0,1]=4 5454 B12R0.184 C=CC(O)CSCCCSC(=O)C 62a_100000730141_100000038929 [0,2,0,0,0,0|1,0,1]=4 5455 B12R0.184 C=CC(O)CSCCOCC(F)F 62a_100000730141_200012177212 [0,2,0,0,0,0|2,0,0]=4 5456 B12R0.184 C=CC(O)CSCCOCC(F)F 62a_200012177212_100000730141 [0,2,0,0,0,0|2,0,0]=4 5457 B12R0.184 C=C[C@H](N)COCCCCC(=O)C 34a_100016989147_100009817362 [0,2,0,0,0,0|1,0,1]=4 5458 B12R0.184 C=C[C@H](N)COCCCCC(C)C 34a_100016989147_100011216152 [0,2,0,0,0,0|1,0,0]=3 5459 B12R0.184 CC(C)CCCCNC[C@H](O)CO 2230a_100020644852_100011216152 [0,2,0,0,0,0|1,0,1]=4 5460 B12R0.184 CC(C)CCCCOCC(O)CO 34a_100011214890_100011219619 [0,2,0,0,0,0|1,0,1]=4 5461 B12R0.184 CC(C)CCCCOCC(O)CO 7a_100011214890_100011219619 [0,2,0,0,0,0|1,0,1]=4 5462 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 34a_100011214890_100015614560 [0,2,0,0,0,0|1,0,1]=4 5463 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 7a_100011214890_100015614560 [0,2,0,0,0,0|1,0,1]=4 5464 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 34a_100011214890_100009815848 [0,2,0,0,0,0|1,0,1]=4 5465 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 7a_100011214890_100009815848 [0,2,0,0,0,0|1,0,1]=4 5466 B12R0.184 CC(C)CCCCSCC(O)CO 62a_100011216152_100011219619 [0,2,0,0,0,0|1,0,1]=4 5467 B12R0.184 CC(C)CCCCSCC(O)CO 62a_100011219619_100011216152 [0,2,0,0,0,0|1,0,1]=4 5468 B12R0.184 CC(C)CCCCSC[C@@H](O)CF 62a_100011216152_100015614560 [0,2,0,0,0,0|1,0,1]=4 5469 B12R0.184 CC(C)CCCCSC[C@@H](O)CF 62a_100015614560_100011216152 [0,2,0,0,0,0|1,0,1]=4 5470 B12R0.184 CC(C)CCCCSC[C@@H](O)CO 62a_100009815848_100011216152 [0,2,0,0,0,0|1,0,1]=4 5471 B12R0.184 CC(C)CCCCSC[C@@H](O)CO 62a_100011216152_100009815848 [0,2,0,0,0,0|1,0,1]=4 5472 B12R0.184 CCC(O)CNCCCCC(C)C 2230a_100011218483_100011216152 [0,2,0,0,0,0|0,0,2]=4 5473 B12R0.184 CCC(O)COCCCCC(C)C 34a_100011214890_100011218378 [0,2,0,0,0,0|0,0,2]=4 5474 B12R0.184 CCC(O)COCCCCC(C)C 7a_100011214890_100011218378 [0,2,0,0,0,0|0,0,2]=4 5475 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011216152_100011218378 [0,2,0,0,0,0|0,0,2]=4 5476 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011218378_100011216152 [0,2,0,0,0,0|0,0,2]=4 5477 B12R0.248 C#CC(O)CCCCCNCCF 34a_100000724931_200010408556 [0,2,0,0,0,0|0,0,2]=4 5478 B12R0.248 C#CC(O)CCCCCNCCO 2230a_100016997473_200010408556 [0,2,0,0,0,0|0,0,2]=4 5479 B12R0.248 C#CC(O)CCCCCNCCO 34a_100016990907_200010408556 [0,2,0,0,0,0|0,0,2]=4 5480 B12R0.248 C#CC(O)CCCCCOCCBr 34a_100000211926_200010408556 [0,2,0,0,0,0|0,0,2]=4 5481 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,2,0,0,0,0|0,0,2]=4 5482 B12R0.248 C#CC(O)CCCCCOCCN 34a_100000210304_200010408556 [0,2,0,0,0,0|0,0,2]=4 5483 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,2,0,0,0,0|0,0,2]=4 5484 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,2,0,0,0,0|0,0,2]=4 5485 B12R0.248 C#CC(O)CCCCCSCCF 62a_100011217306_200010408556 [0,2,0,0,0,0|0,0,2]=4 5486 B12R0.248 C#CC(O)CCCCCSCCF 62a_200010408556_100011217306 [0,2,0,0,0,0|0,0,2]=4 5487 B12R0.248 C#CC(O)CCCCCSCCO 62a_100000211926_200010408556 [0,2,0,0,0,0|0,0,2]=4 5488 B12R0.248 C#CC(O)CCCCCSCCO 62a_200010408556_100000211926 [0,2,0,0,0,0|0,0,2]=4 5489 B12R0.248 C#CC(O)CCCCCSCOC 62a_100000766300_200010408556 [0,2,0,0,0,0|0,0,2]=4 5490 B12R0.248 C#CC(O)CCCCCSCOC 62a_200010408556_100000766300 [0,2,0,0,0,0|0,0,2]=4 5491 B12R0.248 C#CC(O)CCCCCSCSC 62a_100011218213_200010408556 [0,2,0,0,0,0|0,0,2]=4 5492 B12R0.248 C#CC(O)CCCCCSCSC 62a_200010408556_100011218213 [0,2,0,0,0,0|0,0,2]=4 5493 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,2,0,0,0,0|0,0,2]=4 5494 B12R0.248 C#CCCCCCCOC(C)C=C 34a_100000695699_100012276617 [0,2,0,0,0,0|1,0,1]=4 5495 B12R0.248 C#CCCCCCCSC(C)C=C 62a_100011215867_100012276617 [0,2,0,0,0,0|1,0,1]=4 5496 B12R0.248 C#CCCCCCOCC(C)C=C 34a_100011215527_100012094781 [0,2,0,0,0,0|1,0,1]=4 5497 B12R0.248 C#CCCCCCOCC(C)C=C 7a_100011215527_100012094781 [0,2,0,0,0,0|1,0,1]=4 5498 B12R0.248 C#CCCCCCOCC(O)C=C 34a_100000766912_100000730141 [0,2,0,0,0,0|0,0,1]=3 5499 B12R0.248 C#CCCCCCOCC(O)C=C 7a_100000766912_100000730141 [0,2,0,0,0,0|0,0,1]=3 5500 B12R0.248 C#CCCCCCOC[C@@H](N)C=C 34a_100016989147_100012094781 [0,2,0,0,0,0|1,0,1]=4 5501 B12R0.248 C#CCCCCCSCC(O)C=C 62a_100000730141_100012094781 [0,2,0,0,0,0|0,0,1]=3 5502 B12R0.248 C#CCCCCCSCC(O)C=C 62a_100012094781_100000730141 [0,2,0,0,0,0|0,0,1]=3 5503 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,2,0,0,0,0|0,0,2]=4 5504 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|0,0,2]=4 5505 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|0,0,2]=4 5506 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,2,0,0,0,0|0,0,2]=4 5507 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,2,0,0,0,0|0,0,2]=4 5508 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,2,0,0,0,0|0,0,2]=4 5509 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,2,0,0,0,0|0,0,2]=4 5510 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,2,0,0,0,0|0,0,2]=4 5511 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,2,0,0,0,0|0,0,2]=4 5512 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,2,0,0,0,0|0,0,2]=4 5513 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,2,0,0,0,0|0,0,2]=4 5514 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,2,0,0,0,0|0,0,2]=4 5515 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,2,0,0,0,0|0,0,2]=4 5516 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,2,0,0,0,0|0,0,2]=4 5517 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,2,0,0,0,0|0,0,2]=4 5518 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,2,0,0,0,0|0,0,2]=4 5519 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,2,0,0,0,0|0,0,2]=4 5520 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,2,0,0,0,0|0,0,2]=4 5521 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,2,0,0,0,0|0,0,2]=4 5522 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,2,0,0,0,0|0,0,2]=4 5523 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,2,0,0,0,0|0,0,2]=4 5524 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,2,0,0,0,0|0,0,2]=4 5525 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,2,0,0,0,0|0,0,2]=4 5526 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,2,0,0,0,0|0,0,2]=4 5527 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,2,0,0,0,0|0,0,2]=4 5528 B12R0.248 C=CC(C)COCCCCCC#N 7a_100011215527_100009813376 [0,2,0,0,0,0|1,0,1]=4 5529 B12R0.248 C=CC(C)COCCCCCC=O 7a_100011215527_100000139337 [0,2,0,0,0,0|1,0,1]=4 5530 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,2,0,0,0,0|1,0,0]=3 5531 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,2,0,0,0,0|1,0,0]=3 5532 B12R0.248 C=CC(C)COCCCCCCF 34a_100011215527_100015922095 [0,2,0,0,0,0|1,0,0]=3 5533 B12R0.248 C=CC(C)COCCCCCCF 7a_100011215527_100015922095 [0,2,0,0,0,0|1,0,0]=3 5534 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [0,2,0,0,0,0|1,0,0]=3 5535 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [0,2,0,0,0,0|1,0,0]=3 5536 B12R0.248 C=CC(C)COCCOCCCC 34a_100011215527_100000743108 [0,2,0,0,0,0|1,0,0]=3 5537 B12R0.248 C=CC(C)COCCOCCCC 7a_100011215527_100000743108 [0,2,0,0,0,0|1,0,0]=3 5538 B12R0.248 C=CC(C)COCCOCCOC 34a_100011215527_100000695917 [0,2,0,0,0,0|2,0,0]=4 5539 B12R0.248 C=CC(C)COCCOCCOC 7a_100011215527_100000695917 [0,2,0,0,0,0|2,0,0]=4 5540 B12R0.248 C=CC(C)OCC#CCCCCC 34a_100000695699_100009816472 [0,2,0,0,0,0|1,0,1]=4 5541 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,2,0,0,0,0|1,0,0]=3 5542 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,2,0,0,0,0|1,0,0]=3 5543 B12R0.248 C=CC(C)OCCCCCCOC 34a_100000695699_100011998445 [0,2,0,0,0,0|1,0,0]=3 5544 B12R0.248 C=CC(C)OCCCOCCOC 34a_100000695699_100011216529 [0,2,0,0,0,0|2,0,0]=4 5545 B12R0.248 C=CC(C)OCCOCCOCC 34a_100000695699_100011211534 [0,2,0,0,0,0|2,0,0]=4 5546 B12R0.248 C=CC(C)SCC#CCCCCC 62a_100011215867_100009816472 [0,2,0,0,0,0|1,0,1]=4 5547 B12R0.248 C=CC(C)SCCCCCCC#N 62a_100011215867_100009813337 [0,2,0,0,0,0|1,0,1]=4 5548 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,2,0,0,0,0|1,0,0]=3 5549 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [0,2,0,0,0,0|1,0,0]=3 5550 B12R0.248 C=CC(C)SCCCCCCOC 62a_100011215867_100011998445 [0,2,0,0,0,0|1,0,0]=3 5551 B12R0.248 C=CC(C)SCCCOCCOC 62a_100011215867_100011216529 [0,2,0,0,0,0|2,0,0]=4 5552 B12R0.248 C=CC(C)SCCOCCOCC 62a_100011215867_100011211534 [0,2,0,0,0,0|2,0,0]=4 5553 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,2,0,0,0,0|0,0,0]=2 5554 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,2,0,0,0,0|0,0,0]=2 5555 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,2,0,0,0,0|0,0,0]=2 5556 B12R0.248 C=CC(O)CNCCCCCOC 2230a_100000747528_100000730141 [0,2,0,0,0,0|0,0,0]=2 5557 B12R0.248 C=CC(O)CNCCCCCOC 34a_100000747528_100000730141 [0,2,0,0,0,0|0,0,0]=2 5558 B12R0.248 C=CC(O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100000730141 [0,2,0,0,0,0|2,0,0]=4 5559 B12R0.248 C=CC(O)CNCCCOCCC 2230a_100011217757_100000730141 [0,2,0,0,0,0|0,0,0]=2 5560 B12R0.248 C=CC(O)CNCCCOCCC 34a_100011217757_100000730141 [0,2,0,0,0,0|0,0,0]=2 5561 B12R0.248 C=CC(O)CNCCOCCOC 2230a_100000745349_100000730141 [0,2,0,0,0,0|1,0,0]=3 5562 B12R0.248 C=CC(O)CNCCOCCOC 34a_100000745349_100000730141 [0,2,0,0,0,0|1,0,0]=3 5563 B12R0.248 C=CC(O)CNCCSCCCC 2230a_100025743550_100000730141 [0,2,0,0,0,0|0,0,0]=2 5564 B12R0.248 C=CC(O)COC/C=C/CCCC 34a_200016272032_100000730141 [0,2,0,0,0,0|0,0,1]=3 5565 B12R0.248 C=CC(O)COC/C=C/CCCC 7a_200016272032_100000730141 [0,2,0,0,0,0|0,0,1]=3 5566 B12R0.248 C=CC(O)COCC#CCCCC 34a_200000034558_100000730141 [0,2,0,0,0,0|0,0,1]=3 5567 B12R0.248 C=CC(O)COCC#CCCCC 7a_200000034558_100000730141 [0,2,0,0,0,0|0,0,1]=3 5568 B12R0.248 C=CC(O)COCCC#CCCC 34a_100000042726_100000730141 [0,2,0,0,0,0|0,0,1]=3 5569 B12R0.248 C=CC(O)COCCC#CCCC 7a_100000042726_100000730141 [0,2,0,0,0,0|0,0,1]=3 5570 B12R0.248 C=CC(O)COCCC/C=C/CC 34a_100016287902_100000730141 [0,2,0,0,0,0|0,0,1]=3 5571 B12R0.248 C=CC(O)COCCC/C=C/CC 7a_100016287902_100000730141 [0,2,0,0,0,0|0,0,1]=3 5572 B12R0.248 C=CC(O)COCCCCCCBr 34a_100011215345_100000730141 [0,2,0,0,0,0|0,0,0]=2 5573 B12R0.248 C=CC(O)COCCCCCCBr 7a_100011215345_100000730141 [0,2,0,0,0,0|0,0,0]=2 5574 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,2,0,0,0,0|0,0,0]=2 5575 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,2,0,0,0,0|0,0,0]=2 5576 B12R0.248 C=CC(O)COCCCCCCCl 34a_100000766143_100000730141 [0,2,0,0,0,0|0,0,0]=2 5577 B12R0.248 C=CC(O)COCCCCCCCl 7a_100000766143_100000730141 [0,2,0,0,0,0|0,0,0]=2 5578 B12R0.248 C=CC(O)COCCCCCCF 34a_100000732779_100000730141 [0,2,0,0,0,0|0,0,0]=2 5579 B12R0.248 C=CC(O)COCCCCCCF 7a_100000732779_100000730141 [0,2,0,0,0,0|0,0,0]=2 5580 B12R0.248 C=CC(O)COCCCCCCN 34a_100000686447_100000730141 [0,2,0,0,0,0|0,0,0]=2 5581 B12R0.248 C=CC(O)COCCCCCNC 34a_100000722520_100000730141 [0,2,0,0,0,0|0,0,0]=2 5582 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,2,0,0,0,0|0,0,0]=2 5583 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,2,0,0,0,0|0,0,0]=2 5584 B12R0.248 C=CC(O)COCCOCCNC 34a_100000228057_100000730141 [0,2,0,0,0,0|1,0,0]=3 5585 B12R0.248 C=CC(O)COCCOCCOC 34a_100011215163_100000730141 [0,2,0,0,0,0|1,0,0]=3 5586 B12R0.248 C=CC(O)COCCOCCOC 7a_100011215163_100000730141 [0,2,0,0,0,0|1,0,0]=3 5587 B12R0.248 C=CC(O)COCCSCCCC 34a_200000230436_100000730141 [0,2,0,0,0,0|0,0,0]=2 5588 B12R0.248 C=CC(O)COCCSCCCC 7a_200000230436_100000730141 [0,2,0,0,0,0|0,0,0]=2 5589 B12R0.248 C=CC(O)CSCCCCCC#N 62a_100000730141_100009813376 [0,2,0,0,0,0|0,0,1]=3 5590 B12R0.248 C=CC(O)CSCCCCCC#N 62a_100009813376_100000730141 [0,2,0,0,0,0|0,0,1]=3 5591 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000139337_100000730141 [0,2,0,0,0,0|0,0,1]=3 5592 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000730141_100000139337 [0,2,0,0,0,0|0,0,1]=3 5593 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,2,0,0,0,0|0,0,0]=2 5594 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,2,0,0,0,0|0,0,0]=2 5595 B12R0.248 C=CC(O)CSCCCCCCF 62a_100000730141_100015922095 [0,2,0,0,0,0|0,0,0]=2 5596 B12R0.248 C=CC(O)CSCCCCCCF 62a_100015922095_100000730141 [0,2,0,0,0,0|0,0,0]=2 5597 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,2,0,0,0,0|0,0,0]=2 5598 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,2,0,0,0,0|0,0,0]=2 5599 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000730141_100000743108 [0,2,0,0,0,0|0,0,0]=2 5600 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000743108_100000730141 [0,2,0,0,0,0|0,0,0]=2 5601 B12R0.248 C=CC(O)CSCCOCCOC 62a_100000695917_100000730141 [0,2,0,0,0,0|1,0,0]=3 5602 B12R0.248 C=CC(O)CSCCOCCOC 62a_100000730141_100000695917 [0,2,0,0,0,0|1,0,0]=3 5603 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,2,0,0,0,0|0,0,2]=4 5604 B12R0.248 C=CCCCCCCOC(C)C=C 34a_100000695699_100011215473 [0,2,0,0,0,0|1,0,1]=4 5605 B12R0.248 C=CCCCCCCSC(C)C=C 62a_100011215867_100011215473 [0,2,0,0,0,0|1,0,1]=4 5606 B12R0.248 C=CCCCCCOCC(C)C=C 34a_100011215527_100000700193 [0,2,0,0,0,0|1,0,1]=4 5607 B12R0.248 C=CCCCCCOCC(C)C=C 7a_100011215527_100000700193 [0,2,0,0,0,0|1,0,1]=4 5608 B12R0.248 C=CCCCCCOCC(O)C=C 34a_100011216702_100000730141 [0,2,0,0,0,0|0,0,1]=3 5609 B12R0.248 C=CCCCCCOCC(O)C=C 7a_100011216702_100000730141 [0,2,0,0,0,0|0,0,1]=3 5610 B12R0.248 C=CCCCCCOC[C@@H](N)C=C 34a_100016989147_100000700193 [0,2,0,0,0,0|1,0,1]=4 5611 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000700193_100000730141 [0,2,0,0,0,0|0,0,1]=3 5612 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000730141_100000700193 [0,2,0,0,0,0|0,0,1]=3 5613 B12R0.248 C=COCCCCOCC(O)C=C 34a_100000031558_100000730141 [0,2,0,0,0,0|0,0,2]=4 5614 B12R0.248 C=COCCCCOCC(O)C=C 7a_100000031558_100000730141 [0,2,0,0,0,0|0,0,2]=4 5615 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [0,2,0,0,0,0|1,0,0]=3 5616 B12R0.248 C=C[C@H](N)COCCCCCCF 34a_100016989147_100015922095 [0,2,0,0,0,0|1,0,0]=3 5617 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [0,2,0,0,0,0|1,0,0]=3 5618 B12R0.248 C=C[C@H](N)COCCOCCCC 34a_100016989147_100000743108 [0,2,0,0,0,0|1,0,0]=3 5619 B12R0.248 C=C[C@H](N)COCCOCCOC 34a_100016989147_100000695917 [0,2,0,0,0,0|2,0,0]=4 5620 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,2,0,0,0,0|0,0,2]=4 5621 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 5622 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,2,0,0,0,0|0,0,2]=4 5623 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 5624 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,2,0,0,0,0|0,0,2]=4 5625 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,2,0,0,0,0|0,0,2]=4 5626 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,2,0,0,0,0|0,0,2]=4 5627 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,2,0,0,0,0|0,0,2]=4 5628 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,2,0,0,0,0|0,0,2]=4 5629 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,2,0,0,0,0|0,0,2]=4 5630 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,2,0,0,0,0|0,0,2]=4 5631 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,2,0,0,0,0|0,0,2]=4 5632 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 5633 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,2,0,0,0,0|0,0,2]=4 5634 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,2,0,0,0,0|0,0,2]=4 5635 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,2,0,0,0,0|0,0,2]=4 5636 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,2,0,0,0,0|0,0,2]=4 5637 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,2,0,0,0,0|0,0,2]=4 5638 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,2,0,0,0,0|0,0,2]=4 5639 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,2,0,0,0,0|0,0,2]=4 5640 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,2,0,0,0,0|1,0,1]=4 5641 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,2,0,0,0,0|1,0,1]=4 5642 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,2,0,0,0,0|1,0,1]=4 5643 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,2,0,0,0,0|1,0,1]=4 5644 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,2,0,0,0,0|0,0,2]=4 5645 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,2,0,0,0,0|0,0,2]=4 5646 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,2,0,0,0,0|1,0,1]=4 5647 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,2,0,0,0,0|1,0,1]=4 5648 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,2,0,0,0,0|1,0,1]=4 5649 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,2,0,0,0,0|1,0,1]=4 5650 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,2,0,0,0,0|1,0,1]=4 5651 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,2,0,0,0,0|1,0,1]=4 5652 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,2,0,0,0,0|0,0,2]=4 5653 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,2,0,0,0,0|0,0,2]=4 5654 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,2,0,0,0,0|1,0,1]=4 5655 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,2,0,0,0,0|1,0,1]=4 5656 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,2,0,0,0,0|1,0,1]=4 5657 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,2,0,0,0,0|1,0,1]=4 5658 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,2,0,0,0,0|1,0,1]=4 5659 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,2,0,0,0,0|1,0,1]=4 5660 B12R0.248 CCCCOCCNCC(O)CC 2230a_100011218483_100000743108 [0,2,0,0,0,0|0,0,2]=4 5661 B12R0.248 CCCCOCCNC[C@H](O)CO 2230a_100020644852_100000743108 [0,2,0,0,0,0|1,0,1]=4 5662 B12R0.248 CCCCOCCOCC(O)CC 34a_100000210238_100011218378 [0,2,0,0,0,0|0,0,2]=4 5663 B12R0.248 CCCCOCCOCC(O)CC 7a_100000210238_100011218378 [0,2,0,0,0,0|0,0,2]=4 5664 B12R0.248 CCCCOCCOCC(O)CO 34a_100000210238_100011219619 [0,2,0,0,0,0|1,0,1]=4 5665 B12R0.248 CCCCOCCOCC(O)CO 7a_100000210238_100011219619 [0,2,0,0,0,0|1,0,1]=4 5666 B12R0.248 CCCCOCCOC[C@@H](O)CF 34a_100000210238_100015614560 [0,2,0,0,0,0|1,0,1]=4 5667 B12R0.248 CCCCOCCOC[C@@H](O)CF 7a_100000210238_100015614560 [0,2,0,0,0,0|1,0,1]=4 5668 B12R0.248 CCCCOCCOC[C@@H](O)CO 34a_100000210238_100009815848 [0,2,0,0,0,0|1,0,1]=4 5669 B12R0.248 CCCCOCCOC[C@@H](O)CO 7a_100000210238_100009815848 [0,2,0,0,0,0|1,0,1]=4 5670 B12R0.248 CCCCOCCSCC(O)CC 62a_100000743108_100011218378 [0,2,0,0,0,0|0,0,2]=4 5671 B12R0.248 CCCCOCCSCC(O)CC 62a_100011218378_100000743108 [0,2,0,0,0,0|0,0,2]=4 5672 B12R0.248 CCCCOCCSCC(O)CO 62a_100000743108_100011219619 [0,2,0,0,0,0|1,0,1]=4 5673 B12R0.248 CCCCOCCSCC(O)CO 62a_100011219619_100000743108 [0,2,0,0,0,0|1,0,1]=4 5674 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100000743108_100015614560 [0,2,0,0,0,0|1,0,1]=4 5675 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100015614560_100000743108 [0,2,0,0,0,0|1,0,1]=4 5676 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100000743108_100009815848 [0,2,0,0,0,0|1,0,1]=4 5677 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100009815848_100000743108 [0,2,0,0,0,0|1,0,1]=4 5678 B12R0.248 CCCCSCCNCC(O)CC 2230a_100025743550_100011218378 [0,2,0,0,0,0|0,0,2]=4 5679 B12R0.248 CCCCSCCNCC(O)CO 2230a_100025743550_100011219619 [0,2,0,0,0,0|1,0,1]=4 5680 B12R0.248 CCCCSCCNC[C@@H](O)CF 2230a_100025743550_100015614560 [0,2,0,0,0,0|1,0,1]=4 5681 B12R0.248 CCCCSCCNC[C@@H](O)CO 2230a_100025743550_100009815848 [0,2,0,0,0,0|1,0,1]=4 5682 B12R0.248 CCCCSCCOCC(O)CC 34a_200000230436_100011218378 [0,2,0,0,0,0|0,0,2]=4 5683 B12R0.248 CCCCSCCOCC(O)CC 7a_200000230436_100011218378 [0,2,0,0,0,0|0,0,2]=4 5684 B12R0.248 CCCCSCCOCC(O)CO 34a_200000230436_100011219619 [0,2,0,0,0,0|1,0,1]=4 5685 B12R0.248 CCCCSCCOCC(O)CO 7a_200000230436_100011219619 [0,2,0,0,0,0|1,0,1]=4 5686 B12R0.248 CCCCSCCOC[C@@H](O)CF 34a_200000230436_100015614560 [0,2,0,0,0,0|1,0,1]=4 5687 B12R0.248 CCCCSCCOC[C@@H](O)CF 7a_200000230436_100015614560 [0,2,0,0,0,0|1,0,1]=4 5688 B12R0.248 CCCCSCCOC[C@@H](O)CO 34a_200000230436_100009815848 [0,2,0,0,0,0|1,0,1]=4 5689 B12R0.248 CCCCSCCOC[C@@H](O)CO 7a_200000230436_100009815848 [0,2,0,0,0,0|1,0,1]=4 5690 B12R0.248 CCCOCCCNCC(O)CC 2230a_100011217757_100011218378 [0,2,0,0,0,0|0,0,2]=4 5691 B12R0.248 CCCOCCCNCC(O)CC 34a_100011217757_100011218378 [0,2,0,0,0,0|0,0,2]=4 5692 B12R0.248 CCCOCCCNCC(O)CO 2230a_100011217757_100011219619 [0,2,0,0,0,0|1,0,1]=4 5693 B12R0.248 CCCOCCCNCC(O)CO 34a_100011217757_100011219619 [0,2,0,0,0,0|1,0,1]=4 5694 B12R0.248 CCCOCCCNC[C@@H](O)CF 2230a_100011217757_100015614560 [0,2,0,0,0,0|1,0,1]=4 5695 B12R0.248 CCCOCCCNC[C@@H](O)CF 34a_100011217757_100015614560 [0,2,0,0,0,0|1,0,1]=4 5696 B12R0.248 CCCOCCCNC[C@@H](O)CO 2230a_100011217757_100009815848 [0,2,0,0,0,0|1,0,1]=4 5697 B12R0.248 CCCOCCCNC[C@@H](O)CO 34a_100011217757_100009815848 [0,2,0,0,0,0|1,0,1]=4 5698 B12R0.248 CNCCCCCOCC(O)CO 34a_100000722520_100011219619 [0,2,0,0,0,0|1,0,1]=4 5699 B12R0.248 CNCCCCCOC[C@@H](O)CF 34a_100000722520_100015614560 [0,2,0,0,0,0|1,0,1]=4 5700 B12R0.248 CNCCCCCOC[C@@H](O)CO 34a_100000722520_100009815848 [0,2,0,0,0,0|1,0,1]=4 5701 B12R0.248 COCCCCCNCC(O)CO 2230a_100000747528_100011219619 [0,2,0,0,0,0|1,0,1]=4 5702 B12R0.248 COCCCCCNCC(O)CO 34a_100000747528_100011219619 [0,2,0,0,0,0|1,0,1]=4 5703 B12R0.248 COCCCCCNC[C@@H](O)CF 2230a_100000747528_100015614560 [0,2,0,0,0,0|1,0,1]=4 5704 B12R0.248 COCCCCCNC[C@@H](O)CF 34a_100000747528_100015614560 [0,2,0,0,0,0|1,0,1]=4 5705 B12R0.248 COCCCCCNC[C@@H](O)CO 2230a_100000747528_100009815848 [0,2,0,0,0,0|1,0,1]=4 5706 B12R0.248 COCCCCCNC[C@@H](O)CO 34a_100000747528_100009815848 [0,2,0,0,0,0|1,0,1]=4 5707 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [0,2,0,0,0,0|1,0,1]=4 5708 B12R0.248 NCCCCCCOC[C@@H](O)CF 34a_100000686447_100015614560 [0,2,0,0,0,0|1,0,1]=4 5709 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [0,2,0,0,0,0|1,0,1]=4 5710 B12R0.248 OCC(O)COCCCCCCBr 34a_100011215345_100011219619 [0,2,0,0,0,0|1,0,1]=4 5711 B12R0.248 OCC(O)COCCCCCCBr 7a_100011215345_100011219619 [0,2,0,0,0,0|1,0,1]=4 5712 B12R0.248 OCC(O)COCCCCCCCl 34a_100000766143_100011219619 [0,2,0,0,0,0|1,0,1]=4 5713 B12R0.248 OCC(O)COCCCCCCCl 7a_100000766143_100011219619 [0,2,0,0,0,0|1,0,1]=4 5714 B12R0.248 OCC(O)COCCCCCCF 34a_100000732779_100011219619 [0,2,0,0,0,0|1,0,1]=4 5715 B12R0.248 OCC(O)COCCCCCCF 7a_100000732779_100011219619 [0,2,0,0,0,0|1,0,1]=4 5716 B12R0.248 OCC(O)CSCCCCCCF 62a_100011219619_100015922095 [0,2,0,0,0,0|1,0,1]=4 5717 B12R0.248 OCC(O)CSCCCCCCF 62a_100015922095_100011219619 [0,2,0,0,0,0|1,0,1]=4 5718 B12R0.248 OCCCCCCNCC(O)CO 2230a_100000686447_100011219619 [0,2,0,0,0,0|1,0,1]=4 5719 B12R0.248 OCCCCCCNCC(O)CO 34a_100000686447_100011219619 [0,2,0,0,0,0|1,0,1]=4 5720 B12R0.248 OCCCCCCNC[C@@H](O)CF 2230a_100000686447_100015614560 [0,2,0,0,0,0|1,0,1]=4 5721 B12R0.248 OCCCCCCNC[C@@H](O)CF 34a_100000686447_100015614560 [0,2,0,0,0,0|1,0,1]=4 5722 B12R0.248 OCCCCCCNC[C@@H](O)CO 2230a_100000686447_100009815848 [0,2,0,0,0,0|1,0,1]=4 5723 B12R0.248 OCCCCCCNC[C@@H](O)CO 34a_100000686447_100009815848 [0,2,0,0,0,0|1,0,1]=4 5724 B12R0.248 OCCCCCCNC[C@H](O)CO 2230a_100020644852_100000766143 [0,2,0,0,0,0|1,0,1]=4 5725 B12R0.248 OCCCCCCSCC(O)CO 62a_100000766143_100011219619 [0,2,0,0,0,0|1,0,1]=4 5726 B12R0.248 OCCCCCCSCC(O)CO 62a_100011219619_100000766143 [0,2,0,0,0,0|1,0,1]=4 5727 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100000766143_100015614560 [0,2,0,0,0,0|1,0,1]=4 5728 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100015614560_100000766143 [0,2,0,0,0,0|1,0,1]=4 5729 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100000766143_100009815848 [0,2,0,0,0,0|1,0,1]=4 5730 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100009815848_100000766143 [0,2,0,0,0,0|1,0,1]=4 5731 B12R0.248 OC[C@@H](O)CNCCCCCCF 2230a_100020644852_100015922095 [0,2,0,0,0,0|1,0,1]=4 5732 B12R0.248 OC[C@H](O)COCCCCCCBr 34a_100011215345_100009815848 [0,2,0,0,0,0|1,0,1]=4 5733 B12R0.248 OC[C@H](O)COCCCCCCBr 7a_100011215345_100009815848 [0,2,0,0,0,0|1,0,1]=4 5734 B12R0.248 OC[C@H](O)COCCCCCCCl 34a_100000766143_100009815848 [0,2,0,0,0,0|1,0,1]=4 5735 B12R0.248 OC[C@H](O)COCCCCCCCl 7a_100000766143_100009815848 [0,2,0,0,0,0|1,0,1]=4 5736 B12R0.248 OC[C@H](O)COCCCCCCF 34a_100000732779_100009815848 [0,2,0,0,0,0|1,0,1]=4 5737 B12R0.248 OC[C@H](O)COCCCCCCF 7a_100000732779_100009815848 [0,2,0,0,0,0|1,0,1]=4 5738 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100009815848_100015922095 [0,2,0,0,0,0|1,0,1]=4 5739 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100015922095_100009815848 [0,2,0,0,0,0|1,0,1]=4 5740 B12R0.248 O[C@@H](CF)COCCCCCCBr 34a_100011215345_100015614560 [0,2,0,0,0,0|1,0,1]=4 5741 B12R0.248 O[C@@H](CF)COCCCCCCBr 7a_100011215345_100015614560 [0,2,0,0,0,0|1,0,1]=4 5742 B12R0.248 O[C@@H](CF)COCCCCCCCl 34a_100000766143_100015614560 [0,2,0,0,0,0|1,0,1]=4 5743 B12R0.248 O[C@@H](CF)COCCCCCCCl 7a_100000766143_100015614560 [0,2,0,0,0,0|1,0,1]=4 5744 B12R0.248 O[C@@H](CF)COCCCCCCF 34a_100000732779_100015614560 [0,2,0,0,0,0|1,0,1]=4 5745 B12R0.248 O[C@@H](CF)COCCCCCCF 7a_100000732779_100015614560 [0,2,0,0,0,0|1,0,1]=4 5746 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015614560_100015922095 [0,2,0,0,0,0|1,0,1]=4 5747 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015922095_100015614560 [0,2,0,0,0,0|1,0,1]=4 5748 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,2,0,0,0,0|0,0,2]=4 5749 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,2,0,0,0,0|0,0,2]=4 5750 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|0,0,2]=4 5751 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|0,0,2]=4 5752 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,2,0,0,0,0|0,0,2]=4 5753 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,2,0,0,0,0|0,0,2]=4 5754 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,2,0,0,0,0|0,0,2]=4 5755 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,2,0,0,0,0|1,0,0]=3 5756 B12R0.251 C=C(C)C(C)NCCCCCCO 269862a_100000686447_100011216138 [0,2,0,0,0,0|2,0,0]=4 5757 B12R0.251 C=C(C)C(C)NCCCCCOC 269862a_100000747528_100011216138 [0,2,0,0,0,0|2,0,0]=4 5758 B12R0.251 C=C(C)C(C)NCCCOCCC 269862a_100011217757_100011216138 [0,2,0,0,0,0|2,0,0]=4 5759 B12R0.251 C=C(C)C(C)NCCSCCCC 269862a_100025743550_100011216138 [0,2,0,0,0,0|2,0,0]=4 5760 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,2,0,0,0,0|0,0,2]=4 5761 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,2,0,0,0,0|0,0,2]=4 5762 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,2,0,0,0,0|0,0,2]=4 5763 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,2,0,0,0,0|0,0,2]=4 5764 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,2,0,0,0,0|0,0,1]=3 5765 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,2,0,0,0,0|0,0,1]=3 5766 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,2,0,0,0,0|1,0,1]=4 5767 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,2,0,0,0,0|2,0,0]=4 5768 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,2,0,0,0,0|2,0,0]=4 5769 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,2,0,0,0,0|2,0,0]=4 5770 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,2,0,0,0,0|2,0,0]=4 5771 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,2,0,0,0,0|2,0,0]=4 5772 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,2,0,0,0,0|1,0,1]=4 5773 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,2,0,0,0,0|1,0,1]=4 5774 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,2,0,0,0,0|2,0,0]=4 5775 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,2,0,0,0,0|2,0,0]=4 5776 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,2,0,0,0,0|2,0,0]=4 5777 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,2,0,0,0,0|2,0,0]=4 5778 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,2,0,0,0,0|2,0,0]=4 5779 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,2,0,0,0,0|2,0,0]=4 5780 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,2,0,0,0,0|2,0,0]=4 5781 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,2,0,0,0,0|2,0,0]=4 5782 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,2,0,0,0,0|1,0,1]=4 5783 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,2,0,0,0,0|1,0,1]=4 5784 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,2,0,0,0,0|2,0,0]=4 5785 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,2,0,0,0,0|2,0,0]=4 5786 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,2,0,0,0,0|2,0,0]=4 5787 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,2,0,0,0,0|2,0,0]=4 5788 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,2,0,0,0,0|2,0,0]=4 5789 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,2,0,0,0,0|2,0,0]=4 5790 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,2,0,0,0,0|2,0,0]=4 5791 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,2,0,0,0,0|2,0,0]=4 5792 B12R0.251 CCCCCCNCC(O)C(C)C 2230a_100000759067_100000210314 [0,2,0,0,0,0|0,0,2]=4 5793 B12R0.251 CCCCCCNCC(O)C(C)C 34a_100000759067_100000210314 [0,2,0,0,0,0|0,0,2]=4 5794 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,2,0,0,0,0|1,0,1]=4 5795 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,2,0,0,0,0|1,0,1]=4 5796 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,2,0,0,0,0|2,0,0]=4 5797 B12R0.312 C=CC(C)(C)OCCCCCCC 34a_100011215311_100000210614 [0,2,0,0,0,0|1,0,0]=3 5798 B12R0.312 C=CC(C)(C)OCCCCCCC 7a_100011215311_100000210614 [0,2,0,0,0,0|1,0,0]=3 5799 B12R0.312 C=CC(C)(C)OCCCCCCF 34a_100011215311_100015922095 [0,2,0,0,0,0|2,0,0]=4 5800 B12R0.312 C=CC(C)(C)OCCCCCCF 7a_100011215311_100015922095 [0,2,0,0,0,0|2,0,0]=4 5801 B12R0.312 C=CC(C)(C)OCCCCCCO 34a_100011215311_100000766143 [0,2,0,0,0,0|2,0,0]=4 5802 B12R0.312 C=CC(C)(C)OCCCCCCO 7a_100011215311_100000766143 [0,2,0,0,0,0|2,0,0]=4 5803 B12R0.312 C=CC(C)(C)OCCOCCCC 34a_100011215311_100000743108 [0,2,0,0,0,0|2,0,0]=4 5804 B12R0.312 C=CC(C)(C)OCCOCCCC 7a_100011215311_100000743108 [0,2,0,0,0,0|2,0,0]=4 5805 B12R0.312 C=CC(F)(F)SCCCCCCC 62a_100000210614_100009814244 [0,2,0,0,0,0|1,0,0]=3 5806 B12R0.312 C=CC(F)(F)SCCCCCCC 62a_100009814244_100000210316 [0,2,0,0,0,0|1,0,0]=3 5807 B12R0.312 C=CC(F)(F)SCCCCCCF 62a_100009814244_100015922095 [0,2,0,0,0,0|2,0,0]=4 5808 B12R0.312 C=CC(F)(F)SCCCCCCF 62a_100015922095_100009814244 [0,2,0,0,0,0|2,0,0]=4 5809 B12R0.312 C=CC(F)(F)SCCCCCCO 62a_100000766143_100009814244 [0,2,0,0,0,0|2,0,0]=4 5810 B12R0.312 C=CC(F)(F)SCCCCCCO 62a_100009814244_100000766143 [0,2,0,0,0,0|2,0,0]=4 5811 B12R0.312 C=CC(F)(F)SCCOCCCC 62a_100000743108_100009814244 [0,2,0,0,0,0|2,0,0]=4 5812 B12R0.312 C=CC(F)(F)SCCOCCCC 62a_100009814244_100000743108 [0,2,0,0,0,0|2,0,0]=4 5813 B12R0.312 C=C[Si](C)(C)CNCCCCCC 2230a_100000210581_100000038793 [0,2,0,0,0,0|1,1,0]=4 5814 B12R0.312 C=C[Si](C)(C)CSCCCCCC 62a_100000038793_100000210757 [0,2,0,0,0,0|1,1,0]=4 5815 B12R0.312 C=C[Si](C)(C)CSCCCCCC 62a_100000210314_100000038793 [0,2,0,0,0,0|1,1,0]=4 5816 B12R0.42 C=C(C)C(=O)CCCCCC(C)C 1458a_100000185857_100000210682 [0,2,0,0,0,0|0,0,2]=4 5817 B12R0.46 C=C(C)C(=O)C(C)CCCCCC 1458a_100000185857_100011215978 [0,2,0,0,0,0|0,0,2]=4 5818 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_100000070787_200000046972 [0,2,0,0,0,0|1,0,1]=4 5819 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_200011216102_200000210301 [0,2,0,0,0,0|1,0,1]=4 5820 B12R0.58 CCCCCCCC(C)(C)C(=O)[13CH3] 1458a_200011216102_200025704644 [0,2,0,0,0,0|1,0,1]=4 5821 B12R0.123 C=C(C)C(C)NC(C)CCCCC 269862a_100000211957_100011216138 [0,2,0,0,0,0|2,0,0]=4 5822 B12R0.186 C=CC(O)COCCC(N)C(C)C 34a_100161115045_100000730141 [0,2,0,0,0,0|1,0,0]=3 5823 B12R0.201 C=CC(OCCCCCC)C(C)C 34a_100000732651_100000210314 [0,2,0,0,0,0|2,0,0]=4 5824 B12R0.201 C=CC(OCCCCCC)C(C)C 7a_100000732651_100000210314 [0,2,0,0,0,0|2,0,0]=4 5825 B12R0.201 C=C[C@H](NCCCCCC)C(=O)O 269956a_100016992060_100000210757 [0,2,0,0,0,0|1,0,0]=3 5826 B12R0.201 C=C[C@H](NCCCCCF)C(=O)O 269956a_100016992060_100000729378 [0,2,0,0,0,0|2,0,0]=4 5827 B12R0.201 C=C[C@H](NCCCCCO)C(=O)O 269956a_100016992060_100000746330 [0,2,0,0,0,0|2,0,0]=4 5828 B12R0.201 C=C[C@H](NCCCCOC)C(=O)O 269956a_100016992060_100000730899 [0,2,0,0,0,0|2,0,0]=4 5829 B12R0.201 C=C[C@H](NCCCOCC)C(=O)O 269956a_100016992060_100012232248 [0,2,0,0,0,0|2,0,0]=4 5830 B12R0.201 C=C[C@H](NCCOCCC)C(=O)O 269956a_100016992060_100011215938 [0,2,0,0,0,0|2,0,0]=4 5831 B12R0.201 C=C[C@H](NCOCCCC)C(=O)O 269956a_100016992060_100011995733 [0,2,0,0,0,0|2,0,0]=4 5832 B12R0.201 CCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210757 [0,2,0,0,0,0|2,0,0]=4 5833 B12R0.201 CCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210314 [0,2,0,0,0,0|2,0,0]=4 5834 B12R0.201 CCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210314 [0,2,0,0,0,0|2,0,0]=4 5835 B12R0.131 C=CC(O)CNCCS(=O)(=O)CC 2230a_100000751051_100000730141 [0,2,0,0,0,0|2,0,0]=4 5836 B12R0.131 C=CC(O)CNCCS(=O)(=O)CC 34a_100000751051_100000730141 [0,2,0,0,0,0|2,0,0]=4 5837 B12R0.131 C=CC(O)COCCC(C)(C)OC 7a_100000699976_100000730141 [0,2,0,0,0,0|2,0,0]=4 5838 B12R0.131 C=CC(O)COCCS(=O)(=O)CC 34a_200011216379_100000730141 [0,2,0,0,0,0|2,0,0]=4 5839 B12R0.131 C=CC(O)COCCS(=O)(=O)CC 7a_200011216379_100000730141 [0,2,0,0,0,0|2,0,0]=4 5840 B12R0.131 C=CC(O)CSCCS(=O)(=O)CC 62a_100000730141_100000756660 [0,2,0,0,0,0|2,0,0]=4 5841 B12R0.131 C=CC(O)CSCCS(=O)(=O)CC 62a_100000756660_100000730141 [0,2,0,0,0,0|2,0,0]=4 5842 B12R0.210 C=CC(C)(C)OCCCCC(C)C 34a_100011215311_100011216152 [0,2,0,0,0,0|2,0,0]=4 5843 B12R0.210 C=CC(C)(C)OCCCCC(C)C 7a_100011215311_100011216152 [0,2,0,0,0,0|2,0,0]=4 5844 B12R0.210 C=CC(F)(F)SCCCCC(C)C 62a_100009814244_100011216152 [0,2,0,0,0,0|2,0,0]=4 5845 B12R0.210 C=CC(F)(F)SCCCCC(C)C 62a_100011216152_100009814244 [0,2,0,0,0,0|2,0,0]=4 5846 B12R0.318 C=CC(C)(C)OC(C)CCCCC 34a_100011215311_200011218191 [0,2,0,0,0,0|2,0,0]=4 5847 B12R0.318 C=CC(C)(C)OC(C)CCCCC 7a_100011215311_200011218191 [0,2,0,0,0,0|2,0,0]=4 5848 B12R0.318 C=CC(F)(F)SC(C)CCCCC 62a_100009814244_200011218191 [0,2,0,0,0,0|2,0,0]=4 5849 B12R0.318 C=CC(F)(F)SC(C)CCCCC 62a_200011218191_100009814244 [0,2,0,0,0,0|2,0,0]=4 5850 B12R0.324 C=CC(C)(C)C(=O)CCCCCC 1458a_100012027013_100000210757 [0,2,0,0,0,0|1,0,1]=4 5851 B12R0.324 C=CC(F)(F)N(C)CCCCCC 269982a_106256046315_100009814244 [0,2,0,0,0,0|2,0,0]=4 5852 B12R0.435 C#CC(C)(C=C)OCCCCCC 34a_100000033310_100000210314 [0,2,0,0,0,0|2,0,0]=4 5853 B12R0.435 C#CC(C)(C=C)OCCCCCC 7a_100000033310_100000210314 [0,2,0,0,0,0|2,0,0]=4 5854 B12R0.134 C=C[C@@H](C)[C@@H](C)OC(C)CCCC 34a_100015455354_200011215066 [0,2,0,0,0,0|2,0,0]=4 5855 B12R0.134 C=C[C@@H](C)[C@@H](C)OC(C)CCCC 7a_100015455354_200011215066 [0,2,0,0,0,0|2,0,0]=4 5856 B12R0.147 C=CC(O)CNC(C)CC(C)CC 2230a_100000763565_100000730141 [0,2,0,0,0,0|1,0,0]=3 5857 B12R0.189 C=CC(C)COC(C)CCC(C)C 34a_100011215527_100011261404 [0,2,0,0,0,0|2,0,0]=4 5858 B12R0.189 C=CC(O)CNC(C)CCC(C)C 2230a_100138410893_100000730141 [0,2,0,0,0,0|1,0,0]=3 5859 B12R0.189 C=CC(O)COC(C)CCC(C)C 34a_100011215350_100000730141 [0,2,0,0,0,0|1,0,0]=3 5860 B12R0.189 C=CC(O)COC(C)CCC(C)C 7a_100011215350_100000730141 [0,2,0,0,0,0|1,0,0]=3 5861 B12R0.189 C=CC(O)CSC(C)CCC(C)C 62a_100000730141_100011261404 [0,2,0,0,0,0|1,0,0]=3 5862 B12R0.189 C=CC(O)CSC(C)CCC(C)C 62a_100011261404_100000730141 [0,2,0,0,0,0|1,0,0]=3 5863 B12R0.189 C=C[C@H](N)COC(C)CCC(C)C 34a_100016989147_100011261404 [0,2,0,0,0,0|2,0,0]=4 5864 B12R0.193 C=CC(O)COC(C)C(C)CCC 34a_100000708338_100000730141 [0,2,0,0,0,0|1,0,0]=3 5865 B12R0.193 C=CC(O)COC(C)C(C)CCC 7a_100000708338_100000730141 [0,2,0,0,0,0|1,0,0]=3 5866 B12R0.216 C#CC(CCCC)OCC(O)C=C 34a_200011217967_100000730141 [0,2,0,0,0,0|1,0,0]=3 5867 B12R0.216 C#CC(CCCC)OCC(O)C=C 7a_200011217967_100000730141 [0,2,0,0,0,0|1,0,0]=3 5868 B12R0.216 C=CC(C)COC(CC)CCCC 34a_100011215527_200011216223 [0,2,0,0,0,0|2,0,0]=4 5869 B12R0.216 C=CC(C)COC(CC)CCCC 7a_100011215527_200011216223 [0,2,0,0,0,0|2,0,0]=4 5870 B12R0.216 C=CC(C)OCC(CC)CCCC 34a_100000695699_100000211942 [0,2,0,0,0,0|2,0,0]=4 5871 B12R0.216 C=CC(C)SCC(CC)CCCC 62a_100011215867_100000211942 [0,2,0,0,0,0|2,0,0]=4 5872 B12R0.216 C=CC(O)CN[C@H](CO)CCCC 2230a_100011934283_100000730141 [0,2,0,0,0,0|1,0,0]=3 5873 B12R0.216 C=CC(O)CN[C@H](CO)CCCC 34a_100011934283_100000730141 [0,2,0,0,0,0|1,0,0]=3 5874 B12R0.216 C=CC(O)CN[C@H](CO)CCSC 2230a_100011827619_100000730141 [0,2,0,0,0,0|2,0,0]=4 5875 B12R0.216 C=CC(O)COC(C=C)CCCC 34a_200011215037_100000730141 [0,2,0,0,0,0|1,0,0]=3 5876 B12R0.216 C=CC(O)COC(C=C)CCCC 7a_200011215037_100000730141 [0,2,0,0,0,0|1,0,0]=3 5877 B12R0.216 C=CC(O)COC(CC)CCCC 34a_100011215227_100000730141 [0,2,0,0,0,0|1,0,0]=3 5878 B12R0.216 C=CC(O)COC(CC)CCCC 7a_100011215227_100000730141 [0,2,0,0,0,0|1,0,0]=3 5879 B12R0.216 C=CC(O)COC(CN)COCC 34a_102515437182_100000730141 [0,2,0,0,0,0|2,0,0]=4 5880 B12R0.216 C=CC(O)CSC(CC)CCCC 62a_100000730141_200011216223 [0,2,0,0,0,0|1,0,0]=3 5881 B12R0.216 C=CC(O)CSC(CC)CCCC 62a_200011216223_100000730141 [0,2,0,0,0,0|1,0,0]=3 5882 B12R0.216 C=C[C@H](N)COC(CC)CCCC 34a_100016989147_200011216223 [0,2,0,0,0,0|2,0,0]=4 5883 B12R0.252 C=CC(C)CC(=O)C(C)CCCC 1458a_100011934298_200011215066 [0,2,0,0,0,0|1,0,1]=4 5884 B12R0.328 C=CC(O)COC(C)(C)CCCBr 7a_100009888830_100000730141 [0,2,0,0,0,0|2,0,0]=4 5885 B12R0.328 C=CC(O)COC(C)(C)CCCC 7a_100011219641_100000730141 [0,2,0,0,0,0|1,0,0]=3 5886 B12R0.130 C=CC(O)CNCCN(CC)CC 2230a_100015382049_100000730141 [0,2,0,0,0,0|2,0,0]=4 5887 B12R0.130 C=CC(O)COCCN(CC)CC 7a_100016990331_100000730141 [0,2,0,0,0,0|2,0,0]=4 5888 B12R0.130 C=CC(O)CSCCC(OC)OC 62a_100000139399_100000730141 [0,2,0,0,0,0|2,0,0]=4 5889 B12R0.130 C=CC(O)CSCCC(OC)OC 62a_100000730141_100000139399 [0,2,0,0,0,0|2,0,0]=4 5890 B12R0.130 C=CC(O)CSCCN(CC)CC 62a_100000730141_100000700428 [0,2,0,0,0,0|2,0,0]=4 5891 B12R0.130 C=C[C@@H](CO)NCCCN(C)CC 2230a_100016989147_100015186262 [0,2,0,0,0,0|2,0,0]=4 5892 B12R0.156 C=CC(O)COCC(C)N(C)CC 7a_100000732741_100000730141 [0,2,0,0,0,0|2,0,0]=4 5893 B12R0.35 C=CC(C=C)OCCCCC(C)C 34a_100000033096_100011216152 [0,2,0,0,0,0|2,0,0]=4 5894 B12R0.35 C=CC(CC)OCCCCC(C)C 34a_100000766422_100011216152 [0,2,0,0,0,0|2,0,0]=4 5895 B12R0.35 C=CC(CC)OCCCCC(C)C 7a_100000766422_100011216152 [0,2,0,0,0,0|2,0,0]=4 5896 B12R0.35 C=C[C@@H](CO)NCCCCC(=O)C 34a_100016989147_100009817362 [0,2,0,0,0,0|1,0,1]=4 5897 B12R0.35 C=C[C@@H](CO)NCCCCC(C)C 2230a_100016989147_100011216152 [0,2,0,0,0,0|1,0,0]=3 5898 B12R0.35 C=C[C@@H](CO)NCCCCC(C)C 34a_100016989147_100011216152 [0,2,0,0,0,0|1,0,0]=3 5899 B12R0.86 C=CC(C)C(=O)CCCCC(C)C 1458a_100011216780_100011216152 [0,2,0,0,0,0|1,0,1]=4 5900 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCCC(C)C 34a_100015455354_100011214892 [0,2,0,0,0,0|2,0,0]=4 5901 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCCC(C)C 7a_100015455354_100011214892 [0,2,0,0,0,0|2,0,0]=4 5902 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCCC(C)O 34a_100015455354_200000718107 [0,2,0,0,0,0|2,0,0]=4 5903 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCCC(C)O 7a_100015455354_200000718107 [0,2,0,0,0,0|2,0,0]=4 5904 B12R0.150 C=CC(C)COCCCC(C)(C)O 34a_100011215527_100009888830 [0,2,0,0,0,0|2,0,0]=4 5905 B12R0.150 C=CC(C)COCCCC(C)(C)O 7a_100011215527_100009888830 [0,2,0,0,0,0|2,0,0]=4 5906 B12R0.150 C=CC(O)CNCCCC(F)(F)F 2230a_100000727188_100000730141 [0,2,0,0,0,0|2,0,0]=4 5907 B12R0.150 C=CC(O)CNCCCC(F)(F)F 34a_100000727188_100000730141 [0,2,0,0,0,0|2,0,0]=4 5908 B12R0.150 C=CC(O)CNCCCS(=O)(=O)C 2230a_100000742409_100000730141 [0,2,0,0,0,0|2,0,0]=4 5909 B12R0.150 C=CC(O)CNCCCS(=O)(=O)C 34a_100000742409_100000730141 [0,2,0,0,0,0|2,0,0]=4 5910 B12R0.150 C=CC(O)CNCCOC(C)(C)C 2230a_100000747557_100000730141 [0,2,0,0,0,0|2,0,0]=4 5911 B12R0.150 C=CC(O)CNCCSC(C)(C)C 2230a_100000689375_100000730141 [0,2,0,0,0,0|2,0,0]=4 5912 B12R0.150 C=CC(O)COCCCC(F)(F)F 34a_100000749235_100000730141 [0,2,0,0,0,0|2,0,0]=4 5913 B12R0.150 C=CC(O)COCCCS(=O)(=O)C 34a_100000689940_100000730141 [0,2,0,0,0,0|2,0,0]=4 5914 B12R0.150 C=CC(O)COCCCS(=O)(=O)C 7a_100000689940_100000730141 [0,2,0,0,0,0|2,0,0]=4 5915 B12R0.150 C=CC(O)COCCC[Si](C)(C)C 7a_200011215415_100000730141 [0,2,0,0,0,0|1,1,0]=4 5916 B12R0.150 C=CC(O)COCCOC(C)(C)C 34a_100000693234_100000730141 [0,2,0,0,0,0|2,0,0]=4 5917 B12R0.150 C=CC(O)COCCOC(C)(C)C 7a_100000693234_100000730141 [0,2,0,0,0,0|2,0,0]=4 5918 B12R0.150 C=CC(O)CSCCCC(C)(C)O 62a_100000730141_100009888830 [0,2,0,0,0,0|1,0,0]=3 5919 B12R0.150 C=CC(O)CSCCCC(C)(C)O 62a_100009888830_100000730141 [0,2,0,0,0,0|1,0,0]=3 5920 B12R0.150 C=CC(O)CSCCCC(F)(F)F 62a_100000730141_100011216173 [0,2,0,0,0,0|2,0,0]=4 5921 B12R0.150 C=CC(O)CSCCCC(F)(F)F 62a_100011216173_100000730141 [0,2,0,0,0,0|2,0,0]=4 5922 B12R0.150 C=CC(O)CSCCCS(=O)(=O)C 62a_100000730141_100000754308 [0,2,0,0,0,0|2,0,0]=4 5923 B12R0.150 C=CC(O)CSCCCS(=O)(=O)C 62a_100000754308_100000730141 [0,2,0,0,0,0|2,0,0]=4 5924 B12R0.150 C=CC(O)CSCCC[N+](C)(C)C 62a_100000730141_100016990835 [0,2,0,0,0,0|2,0,0]=4 5925 B12R0.150 C=CC(O)CSCCC[N+](C)(C)C 62a_100016990835_100000730141 [0,2,0,0,0,0|2,0,0]=4 5926 B12R0.150 C=CC(O)CSCCC[Si](C)(C)C 62a_100000730141_100011219597 [0,2,0,0,0,0|1,1,0]=4 5927 B12R0.150 C=CC(O)CSCCC[Si](C)(C)C 62a_100011219597_100000730141 [0,2,0,0,0,0|1,1,0]=4 5928 B12R0.150 C=C[C@H](N)COCCCC(C)(C)O 34a_100016989147_100009888830 [0,2,0,0,0,0|2,0,0]=4 5929 B12R0.240 C=CC(C)CC(=O)CCCC(C)C 1458a_100011934298_100011214892 [0,2,0,0,0,0|1,0,1]=4 5930 B12R0.240 C=CC(C)CC(=O)CCCC(C)O 1458a_100011934298_200000718107 [0,2,0,0,0,0|1,0,1]=4 5931 B12R0.241 C=CC(O)COC[C@@H](N)CC(C)C 34a_100011830311_100000730141 [0,2,0,0,0,0|1,0,0]=3 5932 B12R0.241 C=CC(O)CSCC(C)CN(C)C 62a_100000730141_100015348159 [0,2,0,0,0,0|2,0,0]=4 5933 B12R0.241 C=CC(O)CSCC(C)CN(C)C 62a_100015348159_100000730141 [0,2,0,0,0,0|2,0,0]=4 5934 B12R0.144 C=CC(C=C)OC(C)CCCCC 34a_100000033096_200011218191 [0,2,0,0,0,0|2,0,0]=4 5935 B12R0.144 C=CC(CC)OC(C)CCCCC 34a_100000766422_200011218191 [0,2,0,0,0,0|2,0,0]=4 5936 B12R0.144 C=CC(CC)OC(C)CCCCC 7a_100000766422_200011218191 [0,2,0,0,0,0|2,0,0]=4 5937 B12R0.144 C=C[C@@H](CO)NC(=O)CCCCC 240690a_100016989147_100000212188 [0,2,0,0,0,0|1,0,1]=4 5938 B12R0.144 C=C[C@@H](CO)NC(=O)CCCCC 527a_100016989147_100000212188 [0,2,0,0,0,0|1,0,1]=4 5939 B12R0.144 C=C[C@@H](CO)NC(C)CCCCC 2230a_100016989147_200011218191 [0,2,0,0,0,0|1,0,0]=3 5940 B12R0.144 C=C[C@@H](CO)NC(C)CCCCC 270004a_100016989147_100000211708 [0,2,0,0,0,0|1,0,0]=3 5941 B12R0.144 C=C[C@@H](CO)NC(C)CCCCC 34a_100016989147_200011218191 [0,2,0,0,0,0|1,0,0]=3 5942 B12R0.144 C=C[C@@H](CO)NC(C)CCCSC 270004a_100016989147_100011399439 [0,2,0,0,0,0|2,0,0]=4 5943 B12R0.144 C=C[C@@H](CO)NC(C)CCOCC 270004a_100016989147_200011216536 [0,2,0,0,0,0|2,0,0]=4 5944 B12R0.144 C=C[C@@H](CO)NC(C)CSCCC 270004a_100016989147_100011343953 [0,2,0,0,0,0|2,0,0]=4 5945 B12R0.79 C=C[C@@H](C)[C@@H](C)OCC(C)CCC 34a_100015455354_100011216630 [0,2,0,0,0,0|2,0,0]=4 5946 B12R0.79 C=C[C@@H](C)[C@@H](C)OCC(C)CCC 7a_100015455354_100011216630 [0,2,0,0,0,0|2,0,0]=4 5947 B12R0.110 C=CC(C)C(=O)C(C)CCCCC 1458a_100011216780_200011218191 [0,2,0,0,0,0|1,0,1]=4 5948 B12R0.68 C=CC(C)CC(=O)CC(C)CCC 1458a_100011934298_100011216630 [0,2,0,0,0,0|1,0,1]=4 5949 B12R0.68 C=CC(O)CN(C)CC(O)COC 2230a_100000739405_100000730141 [0,2,0,0,0,0|2,0,0]=4 5950 B12R0.126 C=CC(O)CN(CC)CCCCO 2230a_100011217355_100000730141 [0,2,0,0,0,0|2,0,0]=4 5951 B12R0.176 C=CC(C)CCCC(C)(C)OCC 7a_100000032255_100000210202 [0,2,0,0,0,0|2,0,0]=4 5952 B12R0.176 C=CC(O)CNCC(C)(C)COC 2230a_100000734190_100000730141 [0,2,0,0,0,0|2,0,0]=4 5953 B12R0.176 C=CC(O)COCC(C)(C)CCC 7a_100011995695_100000730141 [0,2,0,0,0,0|1,0,0]=3 5954 B12R0.176 C=CC(O)COCC(C)(C)NCC 7a_100000747347_100000730141 [0,2,0,0,0,0|2,0,0]=4 5955 B12R0.229 C=CC(O)CNCC(CC)OCC 2230a_100015183923_100000730141 [0,2,0,0,0,0|2,0,0]=4 5956 B12R0.229 C=CC(O)CNCC(CC)OCC 34a_100015183923_100000730141 [0,2,0,0,0,0|2,0,0]=4 5957 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [1,0,0,1,0,0|1,0,1]=4 5958 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [1,0,0,1,0,0|1,0,1]=4 5959 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [1,0,0,1,0,0|1,0,1]=4 5960 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [1,0,0,1,0,0|1,0,1]=4 5961 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [1,0,0,1,0,0|1,0,1]=4 5962 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [1,0,0,1,0,0|1,0,1]=4 5963 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [1,0,0,1,0,0|1,0,1]=4 5964 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [1,0,0,1,0,0|1,0,1]=4 5965 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [1,0,0,1,0,0|1,0,1]=4 5966 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [1,0,0,1,0,0|1,0,1]=4 5967 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [1,0,0,1,0,0|1,0,1]=4 5968 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [1,0,0,1,0,0|1,0,1]=4 5969 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [1,0,0,1,0,0|1,0,1]=4 5970 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [1,0,0,1,0,0|1,0,1]=4 5971 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [1,0,0,1,0,0|1,0,1]=4 5972 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [1,0,0,1,0,0|1,0,1]=4 5973 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [1,0,0,1,0,0|1,0,1]=4 5974 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [1,0,0,1,0,0|1,0,1]=4 5975 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [1,0,0,1,0,0|1,0,1]=4 5976 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [1,0,0,1,0,0|1,0,1]=4 5977 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [1,0,0,1,0,0|1,0,1]=4 5978 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [1,0,0,1,0,0|1,0,1]=4 5979 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [1,0,0,1,0,0|1,0,1]=4 5980 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [1,0,0,1,0,0|1,0,1]=4 5981 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [1,0,0,1,0,0|1,0,1]=4 5982 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [1,0,0,1,0,0|1,0,1]=4 5983 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [1,0,0,1,0,0|1,0,1]=4 5984 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [1,0,0,1,0,0|1,0,1]=4 5985 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [1,0,0,1,0,0|1,0,1]=4 5986 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [1,0,0,1,0,0|1,0,1]=4 5987 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [1,0,0,1,0,0|1,0,1]=4 5988 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [1,0,0,1,0,0|1,0,1]=4 5989 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [1,0,0,1,0,0|1,0,1]=4 5990 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [1,0,0,1,0,0|1,0,1]=4 5991 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [1,0,0,1,0,0|1,0,1]=4 5992 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [1,0,0,1,0,0|1,0,1]=4 5993 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [1,0,0,1,0,0|1,0,1]=4 5994 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [1,0,0,1,0,0|1,0,1]=4 5995 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [1,0,0,1,0,0|1,0,1]=4 5996 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [1,0,0,1,0,0|1,0,1]=4 5997 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [1,0,0,1,0,0|1,0,1]=4 5998 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [1,0,0,1,0,0|1,0,1]=4 5999 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [1,0,0,1,0,0|1,0,1]=4 6000 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [1,0,0,1,0,0|1,0,1]=4 6001 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [1,0,0,1,0,0|1,0,1]=4 6002 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [1,0,0,1,0,0|1,0,1]=4 6003 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [1,0,0,1,0,0|1,0,1]=4 6004 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [1,0,0,1,0,0|1,0,1]=4 6005 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [1,0,0,1,0,0|1,0,1]=4 6006 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [1,0,0,1,0,0|1,0,1]=4 6007 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [1,0,0,1,0,0|1,0,1]=4 6008 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [1,0,0,1,0,0|1,0,1]=4 6009 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [1,0,0,1,0,0|1,0,1]=4 6010 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [1,0,0,1,0,0|1,0,1]=4 6011 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [1,0,0,1,0,0|1,0,1]=4 6012 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [1,0,0,1,0,0|1,0,1]=4 6013 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [1,0,0,1,0,0|1,0,1]=4 6014 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [1,0,0,1,0,0|1,0,1]=4 6015 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [1,0,0,1,0,0|1,0,1]=4 6016 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [1,0,0,1,0,0|1,0,1]=4 6017 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [1,0,0,1,0,0|1,0,1]=4 6018 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [1,0,0,1,0,0|1,0,1]=4 6019 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [1,0,0,1,0,0|1,0,1]=4 6020 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [1,0,0,1,0,0|1,0,1]=4 6021 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [1,0,0,1,0,0|1,0,1]=4 6022 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [1,0,0,1,0,0|1,0,1]=4 6023 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [1,0,0,1,0,0|1,0,1]=4 6024 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [1,0,0,1,0,0|1,0,1]=4 6025 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [1,0,0,1,0,0|1,0,1]=4 6026 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [1,0,0,1,0,0|1,0,1]=4 6027 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [1,0,0,1,0,0|1,0,1]=4 6028 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [1,0,0,1,0,0|1,0,1]=4 6029 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [1,0,0,1,0,0|1,0,1]=4 6030 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [1,0,0,1,0,0|1,0,1]=4 6031 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [1,0,0,1,0,0|1,0,1]=4 6032 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [1,0,0,1,0,0|1,0,1]=4 6033 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [1,0,0,1,0,0|1,0,1]=4 6034 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [1,0,0,1,0,0|1,0,1]=4 6035 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [1,0,0,1,0,0|1,0,1]=4 6036 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [1,0,0,1,0,0|1,0,1]=4 6037 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [1,0,0,1,0,0|1,0,1]=4 6038 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [1,0,0,1,0,0|1,0,1]=4 6039 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [1,0,0,1,0,0|1,0,1]=4 6040 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [1,0,0,1,0,0|1,0,1]=4 6041 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [1,0,0,1,0,0|1,0,1]=4 6042 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [1,0,0,1,0,0|1,0,1]=4 6043 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [1,0,0,1,0,0|1,0,1]=4 6044 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [1,0,0,1,0,0|1,0,1]=4 6045 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [1,0,0,1,0,0|1,0,1]=4 6046 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [1,0,0,1,0,0|1,0,1]=4 6047 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [1,0,0,1,0,0|1,0,1]=4 6048 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [1,0,0,1,0,0|1,0,1]=4 6049 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [1,0,0,1,0,0|1,0,1]=4 6050 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [1,0,0,1,0,0|1,0,1]=4 6051 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [1,0,0,1,0,0|1,0,1]=4 6052 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [1,0,0,1,0,0|1,0,1]=4 6053 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [1,0,0,1,0,0|1,0,1]=4 6054 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [1,0,0,1,0,0|1,0,1]=4 6055 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [1,0,0,1,0,0|1,0,1]=4 6056 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [1,0,0,1,0,0|1,0,1]=4 6057 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [1,0,0,1,0,0|1,0,1]=4 6058 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 6059 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 6060 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [1,0,0,1,0,0|1,0,1]=4 6061 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [1,0,0,1,0,0|1,0,1]=4 6062 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [1,0,0,1,0,0|1,0,1]=4 6063 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [1,0,0,1,0,0|1,0,1]=4 6064 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [1,0,0,1,0,0|1,0,1]=4 6065 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [1,0,0,1,0,0|1,0,1]=4 6066 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [1,0,0,1,0,0|1,0,0]=3 6067 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [1,0,0,1,0,0|1,0,0]=3 6068 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [1,0,0,1,0,0|1,0,0]=3 6069 B10R1.4 C=CCN1CCOC[C@@H]1C 2230a_100009815349_100000210623 [1,0,0,1,0,0|2,0,0]=4 6070 B10R1.4 C=CCN1CCOC[C@@H]1C 269982a_100009815349_100000210623 [1,0,0,1,0,0|2,0,0]=4 6071 B10R1.4 C=CCN1CCOC[C@@H]1C 34a_100009815349_100015514636 [1,0,0,1,0,0|2,0,0]=4 6072 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [1,0,0,1,0,0|2,0,0]=4 6073 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [1,0,0,1,0,0|2,0,0]=4 6074 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [1,0,0,1,0,0|2,0,0]=4 6075 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 6076 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 6077 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 6078 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 6079 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 6080 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 6081 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [1,0,0,1,0,0|2,0,0]=4 6082 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [1,0,0,1,0,0|2,0,0]=4 6083 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [1,0,0,1,0,0|2,0,0]=4 6084 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [1,0,0,1,0,0|2,0,0]=4 6085 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 6086 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 6087 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 6088 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 6089 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [1,0,0,1,0,0|1,0,0]=3 6090 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [1,0,0,1,0,0|1,0,0]=3 6091 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [1,0,0,1,0,0|1,0,0]=3 6092 B10R1.5 C=CCN1CCC[C@@H]1CO 2230a_100000745186_100000210623 [1,0,0,1,0,0|2,0,0]=4 6093 B10R1.5 C=CCN1CCC[C@@H]1CO 269982a_100000745186_100000210623 [1,0,0,1,0,0|2,0,0]=4 6094 B10R1.5 C=CCN1CCC[C@@H]1CO 34a_100000745186_100015514636 [1,0,0,1,0,0|2,0,0]=4 6095 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [1,0,0,1,0,0|2,0,0]=4 6096 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [1,0,0,1,0,0|2,0,0]=4 6097 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [1,0,0,1,0,0|2,0,0]=4 6098 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|1,0,1]=4 6099 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|1,0,1]=4 6100 B10R1.17 C=CCCN1CCCOC1 2230a_100000131196_100000754431 [1,0,0,1,0,0|2,0,0]=4 6101 B10R1.17 C=CCCN1CCCOC1 269982a_100000131196_100000754431 [1,0,0,1,0,0|2,0,0]=4 6102 B10R1.17 C=CCCN1CCCOC1 34a_100000131196_100000754431 [1,0,0,1,0,0|2,0,0]=4 6103 B10R1.17 C=CCCN1CCOCC1 2230a_100015191051_100000754431 [1,0,0,1,0,0|2,0,0]=4 6104 B10R1.17 C=CCCN1CCOCC1 269982a_100015191051_100000754431 [1,0,0,1,0,0|2,0,0]=4 6105 B10R1.17 C=CCCN1CCOCC1 34a_100015191051_100000754431 [1,0,0,1,0,0|2,0,0]=4 6106 B10R1.17 C=CCCN1CCSCC1 2230a_100000737611_100000754431 [1,0,0,1,0,0|2,0,0]=4 6107 B10R1.17 C=CCCN1CCSCC1 269982a_100000737611_100000754431 [1,0,0,1,0,0|2,0,0]=4 6108 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [1,0,0,1,0,0|1,0,0]=3 6109 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [1,0,0,1,0,0|1,0,0]=3 6110 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [1,0,0,1,0,0|1,0,0]=3 6111 B10R1.17 C=CCNC1CCCOC1 2230a_100000719290_100000210623 [1,0,0,1,0,0|2,0,0]=4 6112 B10R1.17 C=CCNC1CCCOC1 270004a_100020586998_100000753404 [1,0,0,1,0,0|2,0,0]=4 6113 B10R1.17 C=CCNC1CCCOC1 34a_100000719290_100015514636 [1,0,0,1,0,0|2,0,0]=4 6114 B10R1.17 C=CCNC1CCCSC1 270004a_100020586998_100000057913 [1,0,0,1,0,0|2,0,0]=4 6115 B10R1.17 C=CCNC1CCNCC1 270004a_100020586998_100015192401 [1,0,0,1,0,0|2,0,0]=4 6116 B10R1.17 C=CCNC1CCOCC1 2230a_100000741149_100000210623 [1,0,0,1,0,0|2,0,0]=4 6117 B10R1.17 C=CCNC1CCOCC1 270004a_100020586998_100011217826 [1,0,0,1,0,0|2,0,0]=4 6118 B10R1.17 C=CCNC1CCOCC1 34a_100000741149_100015514636 [1,0,0,1,0,0|2,0,0]=4 6119 B10R1.17 C=CCNC1CCSCC1 2230a_100000748639_100000210623 [1,0,0,1,0,0|2,0,0]=4 6120 B10R1.17 C=CCNC1CCSCC1 270004a_100020586998_100000203788 [1,0,0,1,0,0|2,0,0]=4 6121 B10R1.17 C=CCNC1CCSCC1 34a_100000748639_100015514636 [1,0,0,1,0,0|2,0,0]=4 6122 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [1,0,0,1,0,0|1,0,0]=3 6123 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [1,0,0,1,0,0|1,0,0]=3 6124 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [1,0,0,1,0,0|1,0,0]=3 6125 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [1,0,0,1,0,0|2,0,0]=4 6126 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [1,0,0,1,0,0|2,0,0]=4 6127 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [1,0,0,1,0,0|2,0,0]=4 6128 B10R1.17 C=CCOC1CCCSC1 7a_100015962668_100015514636 [1,0,0,1,0,0|2,0,0]=4 6129 B10R1.17 C=CCOC1CCOCC1 34a_100000744328_100015514636 [1,0,0,1,0,0|2,0,0]=4 6130 B10R1.17 C=CCOC1CCSCC1 34a_100000731022_100015514636 [1,0,0,1,0,0|2,0,0]=4 6131 B10R1.17 C=CCOC1CCSCC1 34a_200000210373_100000069128 [1,0,0,1,0,0|2,0,0]=4 6132 B10R1.17 C=CCOC1CCSCC1 7a_100000731022_100015514636 [1,0,0,1,0,0|2,0,0]=4 6133 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [1,0,0,1,0,0|1,0,0]=3 6134 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [1,0,0,1,0,0|1,0,0]=3 6135 B10R1.17 C=CCSC1CCCOC1 62a_100000210623_100000693364 [1,0,0,1,0,0|2,0,0]=4 6136 B10R1.17 C=CCSC1CCOCC1 62a_100000210623_100011324220 [1,0,0,1,0,0|2,0,0]=4 6137 B10R1.17 C=CCSC1CCSCC1 62a_100000210623_100000069128 [1,0,0,1,0,0|2,0,0]=4 6138 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [1,0,0,1,0,0|1,0,0]=3 6139 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [1,0,0,1,0,0|1,0,0]=3 6140 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [1,0,0,1,0,0|1,0,0]=3 6141 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 6142 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|1,0,1]=4 6143 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|1,0,1]=4 6144 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 6145 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|1,0,1]=4 6146 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|1,0,1]=4 6147 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|1,0,1]=4 6148 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|1,0,1]=4 6149 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|1,0,1]=4 6150 B10R1.17 COCSC1C=CCCC1 62a_100000751183_100000766300 [1,0,0,1,0,0|2,0,0]=4 6151 B10R1.17 COCSC1C=CCCC1 62a_100000766300_100000751183 [1,0,0,1,0,0|2,0,0]=4 6152 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|1,0,1]=4 6153 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|1,0,1]=4 6154 B10R1.17 CSCOC1C=CCCC1 34a_100011215024_100011218213 [1,0,0,1,0,0|2,0,0]=4 6155 B10R1.17 CSCSC1C=CCCC1 62a_100000751183_100011218213 [1,0,0,1,0,0|2,0,0]=4 6156 B10R1.17 CSCSC1C=CCCC1 62a_100011218213_100000751183 [1,0,0,1,0,0|2,0,0]=4 6157 B10R1.17 FCCOC1C=CCCC1 34a_100011215024_100011217306 [1,0,0,1,0,0|2,0,0]=4 6158 B10R1.17 FCCSC1C=CCCC1 62a_100000751183_100011217306 [1,0,0,1,0,0|2,0,0]=4 6159 B10R1.17 FCCSC1C=CCCC1 62a_100011217306_100000751183 [1,0,0,1,0,0|2,0,0]=4 6160 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [1,0,0,1,0,0|2,0,0]=4 6161 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [1,0,0,1,0,0|2,0,0]=4 6162 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [1,0,0,1,0,0|2,0,0]=4 6163 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [1,0,0,1,0,0|2,0,0]=4 6164 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [1,0,0,1,0,0|2,0,0]=4 6165 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [1,0,0,1,0,0|2,0,0]=4 6166 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [1,0,0,1,0,0|2,0,0]=4 6167 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [1,0,0,1,0,0|2,0,0]=4 6168 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [1,0,0,1,0,0|2,0,0]=4 6169 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [1,0,0,1,0,0|2,0,0]=4 6170 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 6171 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 6172 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|1,0,1]=4 6173 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|1,0,1]=4 6174 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|1,0,1]=4 6175 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|1,0,1]=4 6176 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|2,0,0]=4 6177 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|2,0,0]=4 6178 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|2,0,0]=4 6179 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|2,0,0]=4 6180 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|2,0,0]=4 6181 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|1,0,1]=4 6182 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|1,0,1]=4 6183 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|1,0,1]=4 6184 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|1,0,1]=4 6185 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|1,0,1]=4 6186 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|1,0,1]=4 6187 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [1,0,0,1,0,0|1,0,0]=3 6188 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [1,0,0,1,0,0|1,0,0]=3 6189 B10R1.21 C=CCCCN1CCSC1 2230a_100011215254_100011713584 [1,0,0,1,0,0|2,0,0]=4 6190 B10R1.21 C=CCCCN1CCSC1 269982a_100011215254_100000757094 [1,0,0,1,0,0|2,0,0]=4 6191 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [1,0,0,1,0,0|1,0,0]=3 6192 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [1,0,0,1,0,0|1,0,0]=3 6193 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [1,0,0,1,0,0|1,0,0]=3 6194 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [1,0,0,1,0,0|1,0,0]=3 6195 B10R1.21 C=CCCNC1CCOC1 2230a_100015191253_100000731011 [1,0,0,1,0,0|2,0,0]=4 6196 B10R1.21 C=CCCNC1CCOC1 270004a_100015191253_100000752484 [1,0,0,1,0,0|2,0,0]=4 6197 B10R1.21 C=CCCNC1CCSC1 270004a_100015191253_100000212027 [1,0,0,1,0,0|2,0,0]=4 6198 B10R1.21 C=CCCN[C@@H]1CCOC1 2230a_200015188469_100000754431 [1,0,0,1,0,0|2,0,0]=4 6199 B10R1.21 C=CCCN[C@H]1CCOC1 2230a_100015188467_100000754431 [1,0,0,1,0,0|2,0,0]=4 6200 B10R1.21 C=CCCN[C@H]1CCOC1 34a_100015188467_100000754431 [1,0,0,1,0,0|2,0,0]=4 6201 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [1,0,0,1,0,0|1,0,0]=3 6202 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [1,0,0,1,0,0|1,0,0]=3 6203 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [1,0,0,1,0,0|1,0,0]=3 6204 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [1,0,0,1,0,0|2,0,0]=4 6205 B10R1.21 C=CCCOC1CCOC1 34a_100011205117_100000690089 [1,0,0,1,0,0|2,0,0]=4 6206 B10R1.21 C=CCCOC1CCSC1 7a_100011232664_100000754431 [1,0,0,1,0,0|2,0,0]=4 6207 B10R1.21 C=CCCO[C@H]1CCOC1 34a_100000717292_100000754431 [1,0,0,1,0,0|2,0,0]=4 6208 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [1,0,0,1,0,0|1,0,0]=3 6209 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [1,0,0,1,0,0|1,0,0]=3 6210 B10R1.21 C=CCCSC1CCOC1 62a_100000754431_100000690089 [1,0,0,1,0,0|2,0,0]=4 6211 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [1,0,0,1,0,0|1,0,0]=3 6212 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [1,0,0,1,0,0|1,0,0]=3 6213 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [1,0,0,1,0,0|1,0,0]=3 6214 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [1,0,0,1,0,0|2,0,0]=4 6215 B10R1.21 C=CCNCC1CCOC1 2230a_100000737293_100000210623 [1,0,0,1,0,0|2,0,0]=4 6216 B10R1.21 C=CCNCC1CCOC1 2230a_100020586998_100000702531 [1,0,0,1,0,0|2,0,0]=4 6217 B10R1.21 C=CCNCC1CCOC1 34a_100000737293_100015514636 [1,0,0,1,0,0|2,0,0]=4 6218 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [1,0,0,1,0,0|2,0,0]=4 6219 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [1,0,0,1,0,0|2,0,0]=4 6220 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [1,0,0,1,0,0|1,0,0]=3 6221 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [1,0,0,1,0,0|1,0,0]=3 6222 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [1,0,0,1,0,0|1,0,0]=3 6223 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [1,0,0,1,0,0|2,0,0]=4 6224 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [1,0,0,1,0,0|2,0,0]=4 6225 B10R1.21 C=CCOCC1CCNC1 34a_100000748654_100015514636 [1,0,0,1,0,0|2,0,0]=4 6226 B10R1.21 C=CCOCC1CCOC1 34a_100000740260_100015514636 [1,0,0,1,0,0|2,0,0]=4 6227 B10R1.21 C=CCOCC1CCOC1 34a_200000210373_100011261433 [1,0,0,1,0,0|2,0,0]=4 6228 B10R1.21 C=CCOC[C@H]1CCCN1 34a_100000745186_100015514636 [1,0,0,1,0,0|2,0,0]=4 6229 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [1,0,0,1,0,0|1,0,0]=3 6230 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [1,0,0,1,0,0|1,0,0]=3 6231 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [1,0,0,1,0,0|2,0,0]=4 6232 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [1,0,0,1,0,0|2,0,0]=4 6233 B10R1.21 C=CCSCC1CCOC1 62a_100000210623_100000702531 [1,0,0,1,0,0|2,0,0]=4 6234 B10R1.21 C=CCSCC1CCOC1 62a_100000702531_100000210623 [1,0,0,1,0,0|2,0,0]=4 6235 B10R1.21 C=COCCN1CCCC1 2230a_100000188435_100000039644 [1,0,0,1,0,0|2,0,0]=4 6236 B10R1.21 C=COCCN1CCCC1 269982a_100000188435_100000039644 [1,0,0,1,0,0|2,0,0]=4 6237 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 6238 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 6239 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 6240 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|1,0,1]=4 6241 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 6242 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|1,0,1]=4 6243 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|1,0,1]=4 6244 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|1,0,1]=4 6245 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|1,0,1]=4 6246 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|1,0,1]=4 6247 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [1,0,0,1,0,0|2,0,0]=4 6248 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [1,0,0,1,0,0|2,0,0]=4 6249 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [1,0,0,1,0,0|2,0,0]=4 6250 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [1,0,0,1,0,0|2,0,0]=4 6251 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [1,0,0,1,0,0|2,0,0]=4 6252 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [1,0,0,1,0,0|2,0,0]=4 6253 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [1,0,0,1,0,0|2,0,0]=4 6254 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [1,0,0,1,0,0|2,0,0]=4 6255 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 6256 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 6257 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|1,0,1]=4 6258 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|1,0,1]=4 6259 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|1,0,1]=4 6260 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|1,0,1]=4 6261 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [1,0,0,1,0,0|1,0,0]=3 6262 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [1,0,0,1,0,0|1,0,0]=3 6263 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [1,0,0,1,0,0|1,0,0]=3 6264 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [1,0,0,1,0,0|1,0,0]=3 6265 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [1,0,0,1,0,0|1,0,0]=3 6266 B10R1.29 C=CCCN1CCSC1C 2230a_200011216479_100000754431 [1,0,0,1,0,0|2,0,0]=4 6267 B10R1.29 C=CCCN1CCSC1C 269982a_200011216479_100000754431 [1,0,0,1,0,0|2,0,0]=4 6268 B10R1.29 C=CCCN1CCSC1C 34a_200011216479_100000754431 [1,0,0,1,0,0|2,0,0]=4 6269 B10R1.29 C=CCNC1CCOC1C 270004a_100020586998_100000691750 [1,0,0,1,0,0|2,0,0]=4 6270 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [1,0,0,1,0,0|1,0,0]=3 6271 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [1,0,0,1,0,0|1,0,0]=3 6272 B10R1.29 C=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015514636 [1,0,0,1,0,0|2,0,0]=4 6273 B10R1.29 C=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015514636 [1,0,0,1,0,0|2,0,0]=4 6274 B10R1.29 C=CCO[C@H]1CNC[C@H]1C 34a_200015306588_100015514636 [1,0,0,1,0,0|2,0,0]=4 6275 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_100000210623_200016002552 [1,0,0,1,0,0|2,0,0]=4 6276 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210623 [1,0,0,1,0,0|2,0,0]=4 6277 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [1,0,0,1,0,0|2,0,0]=4 6278 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [1,0,0,1,0,0|2,0,0]=4 6279 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|2,0,0]=4 6280 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|2,0,0]=4 6281 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|2,0,0]=4 6282 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|2,0,0]=4 6283 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [1,0,0,1,0,0|1,0,0]=3 6284 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [1,0,0,1,0,0|1,0,0]=3 6285 B10R1.37 C=COCCN1CCC1C 269982a_100000755817_100000039644 [1,0,0,1,0,0|2,0,0]=4 6286 B10R1.37 C=COCCN1CCC1C 34a_100000755817_100000039644 [1,0,0,1,0,0|2,0,0]=4 6287 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [1,0,0,1,0,0|2,0,0]=4 6288 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [1,0,0,1,0,0|2,0,0]=4 6289 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [1,0,0,1,0,0|2,0,0]=4 6290 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [1,0,0,1,0,0|2,0,0]=4 6291 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [1,0,0,1,0,0|2,0,0]=4 6292 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [1,0,0,1,0,0|2,0,0]=4 6293 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [1,0,0,1,0,0|2,0,0]=4 6294 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [1,0,0,1,0,0|2,0,0]=4 6295 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [1,0,0,1,0,0|2,0,0]=4 6296 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [1,0,0,1,0,0|1,0,0]=3 6297 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [1,0,0,1,0,0|1,0,0]=3 6298 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [1,0,0,1,0,0|1,0,0]=3 6299 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [1,0,0,1,0,0|1,0,0]=3 6300 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [1,0,0,1,0,0|1,0,0]=3 6301 B10R1.57 C=CCCCNC1COC1 2230a_100016991112_100011713584 [1,0,0,1,0,0|2,0,0]=4 6302 B10R1.57 C=CCCCNC1COC1 34a_100000700776_100009818527 [1,0,0,1,0,0|2,0,0]=4 6303 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [1,0,0,1,0,0|1,0,0]=3 6304 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [1,0,0,1,0,0|1,0,0]=3 6305 B10R1.57 C=CCCCOC1COC1 34a_100000758997_100009818527 [1,0,0,1,0,0|2,0,0]=4 6306 B10R1.57 C=CCCCOC1COC1 7a_100000758997_100009818527 [1,0,0,1,0,0|2,0,0]=4 6307 B10R1.57 C=CCCCOC1CSC1 7a_100000072292_100000757094 [1,0,0,1,0,0|2,0,0]=4 6308 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [1,0,0,1,0,0|1,0,0]=3 6309 B10R1.57 C=CCCCSC1COC1 62a_100011713584_100009818527 [1,0,0,1,0,0|2,0,0]=4 6310 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [1,0,0,1,0,0|1,0,0]=3 6311 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [1,0,0,1,0,0|1,0,0]=3 6312 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [1,0,0,1,0,0|1,0,0]=3 6313 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [1,0,0,1,0,0|1,0,0]=3 6314 B10R1.57 C=CCCNCC1CCO1 2230a_100015191253_100000103362 [1,0,0,1,0,0|2,0,0]=4 6315 B10R1.57 C=CCCNCC1COC1 2230a_100015191253_100010264016 [1,0,0,1,0,0|2,0,0]=4 6316 B10R1.57 C=CCCNCC1COC1 2230a_100015281925_100000754431 [1,0,0,1,0,0|2,0,0]=4 6317 B10R1.57 C=CCCNCC1COC1 34a_100015281925_100000754431 [1,0,0,1,0,0|2,0,0]=4 6318 B10R1.57 C=CCCNC[C@@H]1CCO1 2230a_100020831831_100000754431 [1,0,0,1,0,0|2,0,0]=4 6319 B10R1.57 C=CCCNC[C@@H]1CCO1 34a_100020831831_100000754431 [1,0,0,1,0,0|2,0,0]=4 6320 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [1,0,0,1,0,0|1,0,0]=3 6321 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [1,0,0,1,0,0|1,0,0]=3 6322 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [1,0,0,1,0,0|2,0,0]=4 6323 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [1,0,0,1,0,0|2,0,0]=4 6324 B10R1.57 C=CCCOCC1CNC1 34a_100016987283_100000754431 [1,0,0,1,0,0|2,0,0]=4 6325 B10R1.57 C=CCCOCC1COC1 34a_100000060846_100000754431 [1,0,0,1,0,0|2,0,0]=4 6326 B10R1.57 C=CCCOCC1COC1 34a_100011205117_100010264016 [1,0,0,1,0,0|2,0,0]=4 6327 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [1,0,0,1,0,0|1,0,0]=3 6328 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [1,0,0,1,0,0|1,0,0]=3 6329 B10R1.57 C=CCCSCC1CCO1 62a_100000103362_100000754431 [1,0,0,1,0,0|2,0,0]=4 6330 B10R1.57 C=CCCSCC1CCO1 62a_100000754431_100000103362 [1,0,0,1,0,0|2,0,0]=4 6331 B10R1.57 C=CCCSCC1COC1 62a_100000754431_100010264016 [1,0,0,1,0,0|2,0,0]=4 6332 B10R1.57 C=CCCSCC1COC1 62a_100010264016_100000754431 [1,0,0,1,0,0|2,0,0]=4 6333 B10R1.57 C=CCOCCC1COC1 34a_100009855314_100015514636 [1,0,0,1,0,0|2,0,0]=4 6334 B10R1.57 C=COCCNC1CCC1 2230a_100000749019_100000039644 [1,0,0,1,0,0|2,0,0]=4 6335 B10R1.57 C=COCCNC1CCC1 34a_100000749019_100000039644 [1,0,0,1,0,0|2,0,0]=4 6336 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [1,0,0,1,0,0|2,0,0]=4 6337 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [1,0,0,1,0,0|2,0,0]=4 6338 B10R1.57 C=COCCSC1CCC1 62a_100000039644_100000749161 [1,0,0,1,0,0|2,0,0]=4 6339 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [1,0,0,1,0,0|2,0,0]=4 6340 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [1,0,0,1,0,0|2,0,0]=4 6341 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [1,0,0,1,0,0|2,0,0]=4 6342 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [1,0,0,1,0,0|1,0,0]=3 6343 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [1,0,0,1,0,0|1,0,0]=3 6344 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [1,0,0,1,0,0|1,0,0]=3 6345 B10R1.85 C=CCN1CCCOCC1 2230a_100000685342_100000210623 [1,0,0,1,0,0|2,0,0]=4 6346 B10R1.85 C=CCN1CCCOCC1 269982a_100000685342_100000210623 [1,0,0,1,0,0|2,0,0]=4 6347 B10R1.85 C=CCN1CCCOCC1 34a_100000685342_100015514636 [1,0,0,1,0,0|2,0,0]=4 6348 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 6349 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 6350 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|1,0,1]=4 6351 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 6352 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|1,0,1]=4 6353 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 6354 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|1,0,1]=4 6355 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|1,0,1]=4 6356 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|1,0,1]=4 6357 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|1,0,1]=4 6358 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|1,0,1]=4 6359 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [1,0,0,1,0,0|2,0,0]=4 6360 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [1,0,0,1,0,0|2,0,0]=4 6361 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [1,0,0,1,0,0|2,0,0]=4 6362 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 6363 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 6364 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|1,0,1]=4 6365 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|1,0,1]=4 6366 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|1,0,1]=4 6367 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|1,0,1]=4 6368 B10R1.132 C=CCN1CCC1COC 2230a_100015195929_100000210623 [1,0,0,1,0,0|2,0,0]=4 6369 B10R1.132 C=CCN1CCC1COC 269982a_100015195929_100000210623 [1,0,0,1,0,0|2,0,0]=4 6370 B10R1.132 C=CCN1CCC1COC 34a_100015195929_100015514636 [1,0,0,1,0,0|2,0,0]=4 6371 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 6372 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|1,0,1]=4 6373 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 6374 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [1,0,0,1,0,0|1,0,0]=3 6375 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|1,0,1]=4 6376 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|1,0,1]=4 6377 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 6378 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 6379 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [1,0,0,1,0,0|1,0,0]=3 6380 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|1,0,1]=4 6381 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|1,0,1]=4 6382 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [1,0,0,1,0,0|0,0,2]=4 6383 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [1,0,0,1,0,0|0,0,2]=4 6384 B10R1.27 C=CC(C)OC1CCCC1 34a_100000695699_100000179811 [1,0,0,1,0,0|2,0,0]=4 6385 B10R1.27 C=CC(C)SC1CCCC1 62a_100011215867_100000179811 [1,0,0,1,0,0|2,0,0]=4 6386 B10R1.27 C=CC(O)CN1CCCC1 2230a_100000188435_100000730141 [1,0,0,1,0,0|1,0,0]=3 6387 B10R1.27 C=CC(O)CN1CCSC1 2230a_100011215254_100000730141 [1,0,0,1,0,0|2,0,0]=4 6388 B10R1.149 C=CC(C)N1CCC[C@@H]1C 269982a_100020605311_100011215867 [1,0,0,1,0,0|2,0,0]=4 6389 B10R1.149 C=CC(C)N1CCC[C@H]1C 269982a_100015189458_100011215867 [1,0,0,1,0,0|2,0,0]=4 6390 B10R1.151 C=CC(C)COC1CCC1 34a_100011215527_100000749161 [1,0,0,1,0,0|2,0,0]=4 6391 B10R1.151 C=CC(C)OCC1CCC1 34a_100000695699_100000763275 [1,0,0,1,0,0|2,0,0]=4 6392 B10R1.151 C=CC(C)SCC1CCC1 62a_100011215867_100000763275 [1,0,0,1,0,0|2,0,0]=4 6393 B10R1.151 C=CC(O)CNC1CCC1 2230a_100000749019_100000730141 [1,0,0,1,0,0|1,0,0]=3 6394 B10R1.151 C=CC(O)CNC1CCC1 34a_100000749019_100000730141 [1,0,0,1,0,0|1,0,0]=3 6395 B10R1.151 C=CC(O)CNC1COC1 2230a_100016991112_100000730141 [1,0,0,1,0,0|2,0,0]=4 6396 B10R1.151 C=CC(O)COC1CCC1 34a_100000748187_100000730141 [1,0,0,1,0,0|1,0,0]=3 6397 B10R1.151 C=CC(O)COC1CSC1 7a_100000072292_100000730141 [1,0,0,1,0,0|2,0,0]=4 6398 B10R1.151 C=CC(O)CSC1CCC1 62a_100000730141_100000749161 [1,0,0,1,0,0|1,0,0]=3 6399 B10R1.151 C=CC(O)CSC1COC1 62a_100000730141_100009818527 [1,0,0,1,0,0|2,0,0]=4 6400 B10R1.151 C=C[C@H](N)COC1CCC1 34a_100016989147_100000749161 [1,0,0,1,0,0|2,0,0]=4 6401 B10R1.153 C=CC(C)COCC1CC1 34a_100011215527_100000742324 [1,0,0,1,0,0|2,0,0]=4 6402 B10R1.153 C=CC(C)COCC1CC1 7a_100011215527_100000742324 [1,0,0,1,0,0|2,0,0]=4 6403 B10R1.153 C=CC(C)OCCC1CC1 34a_100000695699_100000694398 [1,0,0,1,0,0|2,0,0]=4 6404 B10R1.153 C=CC(C)SCCC1CC1 62a_100011215867_100000764125 [1,0,0,1,0,0|2,0,0]=4 6405 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [1,0,0,1,0,0|1,0,0]=3 6406 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [1,0,0,1,0,0|1,0,0]=3 6407 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [1,0,0,1,0,0|1,0,0]=3 6408 B10R1.153 C=CC(O)COC[C@@H]1CO1 34a_100000757423_100000730141 [1,0,0,1,0,0|2,0,0]=4 6409 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [1,0,0,1,0,0|1,0,0]=3 6410 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [1,0,0,1,0,0|1,0,0]=3 6411 B10R1.153 C=CC(O)CSCC1CO1 62a_100000730141_102125554688 [1,0,0,1,0,0|2,0,0]=4 6412 B10R1.153 C=CC(O)CSCC1CO1 62a_102125554688_100000730141 [1,0,0,1,0,0|2,0,0]=4 6413 B10R1.153 C=CC(O)CSCC1CS1 62a_100000031435_100000730141 [1,0,0,1,0,0|2,0,0]=4 6414 B10R1.153 C=CC(O)CSCC1CS1 62a_100000730141_100000031435 [1,0,0,1,0,0|2,0,0]=4 6415 B10R1.153 C=CC(O)CSC[C@@H]1CO1 62a_100000730141_100000745022 [1,0,0,1,0,0|2,0,0]=4 6416 B10R1.153 C=CC(O)CSC[C@@H]1CO1 62a_100000745022_100000730141 [1,0,0,1,0,0|2,0,0]=4 6417 B10R1.153 C=C[C@H](N)COCC1CC1 34a_100016989147_100000742324 [1,0,0,1,0,0|2,0,0]=4 6418 B10R1.206 C=CC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000730141 [1,0,0,1,0,0|2,0,0]=4 6419 B10R1.206 C=CC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000730141 [1,0,0,1,0,0|2,0,0]=4 6420 B10R1.206 C=CC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000730141 [1,0,0,1,0,0|2,0,0]=4 6421 B10R1.463 C=CC(O)CN1CCC1C 34a_100000755817_100000730141 [1,0,0,1,0,0|1,0,0]=3 6422 B12R1.32 C/C=C/C(C)OC1CCCCC1 34a_200102604097_100000210327 [0,1,0,1,0,0|2,0,0]=4 6423 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,1,0,1,0,0|0,0,2]=4 6424 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,1,0,1,0,0|0,0,2]=4 6425 B12R1.32 C=CCN(C)CC1CCCCC1 2230a_100000201375_200000210301 [0,1,0,1,0,0|2,0,0]=4 6426 B12R1.32 C=CCN(C)CC1CCCCC1 2230a_100000225617_100000211423 [0,1,0,1,0,0|2,0,0]=4 6427 B12R1.32 C=CCN(C)CC1CCCCC1 2230a_100000736448_100000210623 [0,1,0,1,0,0|2,0,0]=4 6428 B12R1.32 C=CCN(C)CC1CCCCC1 269982a_100000201375_200000210301 [0,1,0,1,0,0|2,0,0]=4 6429 B12R1.32 C=CCN(C)CC1CCCCC1 269982a_100000225617_100000211423 [0,1,0,1,0,0|2,0,0]=4 6430 B12R1.32 C=CCN(C)CC1CCCCC1 269982a_100000736448_100000210623 [0,1,0,1,0,0|2,0,0]=4 6431 B12R1.32 C=CCN(C)CC1CCCCC1 34a_100000201375_200000210301 [0,1,0,1,0,0|2,0,0]=4 6432 B12R1.32 C=CCN(C)CC1CCCCC1 34a_100000736448_100015514636 [0,1,0,1,0,0|2,0,0]=4 6433 B12R1.32 C=CCN([13CH3])CC1CCCCC1 2230a_100000201375_200025704644 [0,1,0,1,0,0|2,0,0]=4 6434 B12R1.32 C=CCN([13CH3])CC1CCCCC1 269982a_100000201375_200025704644 [0,1,0,1,0,0|2,0,0]=4 6435 B12R1.32 C=CCN([13CH3])CC1CCCCC1 34a_100000201375_200025704644 [0,1,0,1,0,0|2,0,0]=4 6436 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 34a_100000731007_100000210327 [0,1,0,1,0,0|2,0,0]=4 6437 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 7a_100000731007_100000210327 [0,1,0,1,0,0|2,0,0]=4 6438 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,1,0,1,0,0|0,0,2]=4 6439 B12R1.32 O=C(C=CBr)CC1CCCCC1 1458a_100016273825_100000211423 [0,1,0,1,0,0|0,0,2]=4 6440 B12R1.32 O=C(C=CCl)CC1CCCCC1 1458a_200016279998_100000211423 [0,1,0,1,0,0|0,0,2]=4 6441 B12R1.32 O=C(C=CI)CC1CCCCC1 1458a_100016256311_100000211423 [0,1,0,1,0,0|0,0,2]=4 6442 B12R1.37 CCCCCCCN1CC=CC1 269982a_100015195280_100000210681 [0,1,0,1,0,0|2,0,0]=4 6443 B12R1.37 CCCCCCNC1CC=CC1 2230a_100015188752_100000210314 [0,1,0,1,0,0|2,0,0]=4 6444 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,1,0,1,0,0|1,0,1]=4 6445 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,1,0,1,0,0|1,0,1]=4 6446 B12R1.37 CCCCCCSc1ccoc1 62a_100000210314_100011215275 [0,1,0,1,0,0|1,0,1]=4 6447 B12R1.37 CCCCCCSc1ccoc1 62a_100011215275_100000210757 [0,1,0,1,0,0|1,0,1]=4 6448 B12R1.37 CCCCCCSc1ccon1 62a_100000210314_100009818083 [0,1,0,1,0,0|1,0,1]=4 6449 B12R1.37 CCCCCCSc1ccon1 62a_100009818083_100000210757 [0,1,0,1,0,0|1,0,1]=4 6450 B12R1.37 CCCCCCSc1cnco1 62a_100000210314_100020591547 [0,1,0,1,0,0|1,0,1]=4 6451 B12R1.37 CCCCCCSc1cnco1 62a_100020591547_100000210757 [0,1,0,1,0,0|1,0,1]=4 6452 B12R1.37 CCCCCCSc1ncco1 62a_100000210314_100011787736 [0,1,0,1,0,0|1,0,1]=4 6453 B12R1.37 CCCCCCSc1ncco1 62a_100011787736_100000210757 [0,1,0,1,0,0|1,0,1]=4 6454 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,1,0,1,0,0|1,0,1]=4 6455 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,1,0,1,0,0|1,0,1]=4 6456 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,1,0,1,0,0|1,0,1]=4 6457 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,1,0,1,0,0|1,0,1]=4 6458 B12R1.37 CCCCCNCc1ccoc1 207a_100000209983_100011215517 [0,1,0,1,0,0|1,0,1]=4 6459 B12R1.37 CCCCCNCc1ccoc1 2230a_100015206860_100000210326 [0,1,0,1,0,0|1,0,1]=4 6460 B12R1.37 CCCCCNCc1ccoc1 270004a_100000209983_100011215517 [0,1,0,1,0,0|1,0,1]=4 6461 B12R1.37 CCCCCNCc1ccoc1 34a_100015206860_100000718602 [0,1,0,1,0,0|1,0,1]=4 6462 B12R1.37 CCCCCNCc1ccon1 2230a_100000209983_100000234950 [0,1,0,1,0,0|1,0,1]=4 6463 B12R1.37 CCCCCNCc1cnco1 270004a_100000209983_100000064291 [0,1,0,1,0,0|1,0,1]=4 6464 B12R1.37 CCCCCNCc1ncco1 2230a_100000209983_103436540062 [0,1,0,1,0,0|1,0,1]=4 6465 B12R1.37 CCCCCNCc1ncco1 2230a_100016994969_100000210326 [0,1,0,1,0,0|1,0,1]=4 6466 B12R1.37 CCCCCNCc1ncco1 270004a_100000209983_100000064290 [0,1,0,1,0,0|1,0,1]=4 6467 B12R1.37 CCCCCOCC1CC=CC1 34a_100000688395_100000718602 [0,1,0,1,0,0|2,0,0]=4 6468 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,1,0,1,0,0|1,0,1]=4 6469 B12R1.37 CCCCCOCc1ccno1 34a_100000740478_100000718602 [0,1,0,1,0,0|1,0,1]=4 6470 B12R1.37 CCCCCOCc1ccoc1 34a_100011215357_100000718602 [0,1,0,1,0,0|1,0,1]=4 6471 B12R1.37 CCCCCOCc1ccon1 34a_100000210253_100000234950 [0,1,0,1,0,0|1,0,1]=4 6472 B12R1.37 CCCCCOCc1ccon1 7a_100000210253_100000234950 [0,1,0,1,0,0|1,0,1]=4 6473 B12R1.37 CCCCCOCc1ncco1 34a_100000062594_100000718602 [0,1,0,1,0,0|1,0,1]=4 6474 B12R1.37 CCCCCOCc1ncco1 34a_100000210253_103436540062 [0,1,0,1,0,0|1,0,1]=4 6475 B12R1.37 CCCCCOCc1ncco1 7a_100000210253_103436540062 [0,1,0,1,0,0|1,0,1]=4 6476 B12R1.37 CCCCCSCc1ccon1 62a_100000210326_100000234950 [0,1,0,1,0,0|1,0,1]=4 6477 B12R1.37 CCCCCSCc1ccon1 62a_100000234950_100000210326 [0,1,0,1,0,0|1,0,1]=4 6478 B12R1.37 CCCCCSCc1ncco1 62a_100000210326_103436540062 [0,1,0,1,0,0|1,0,1]=4 6479 B12R1.37 CCCCCSCc1ncco1 62a_103436540062_100000210326 [0,1,0,1,0,0|1,0,1]=4 6480 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,1,0,1,0,0|1,0,1]=4 6481 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,1,0,1,0,0|1,0,1]=4 6482 B12R1.51 C/C=C/C(C)OCC1CCCC1 34a_200102604097_100000740388 [0,1,0,1,0,0|2,0,0]=4 6483 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,1,0,1,0,0|0,0,2]=4 6484 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,1,0,1,0,0|0,0,2]=4 6485 B12R1.51 C=CCC(C)COC1CCCC1 34a_100009832082_100000179811 [0,1,0,1,0,0|2,0,0]=4 6486 B12R1.51 C=CCC(C)COC1CCCC1 7a_100009832082_100000179811 [0,1,0,1,0,0|2,0,0]=4 6487 B12R1.51 C=CCN(C)CCC1CCCC1 2230a_100000225617_100000760354 [0,1,0,1,0,0|2,0,0]=4 6488 B12R1.51 C=CCN(C)CCC1CCCC1 269982a_100000225617_100000760354 [0,1,0,1,0,0|2,0,0]=4 6489 B12R1.51 C=CC[C@@H](C)OCC1CCCC1 34a_100000731007_100000740388 [0,1,0,1,0,0|2,0,0]=4 6490 B12R1.51 C=CC[C@@H](C)OCC1CCCC1 7a_100000731007_100000740388 [0,1,0,1,0,0|2,0,0]=4 6491 B12R1.51 C=CC[C@@H](N)COC1CCCC1 34a_100020615467_100000179811 [0,1,0,1,0,0|2,0,0]=4 6492 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,1,0,1,0,0|0,0,2]=4 6493 B12R1.51 O=C(C=CBr)CCC1CCCC1 1458a_100016273825_100000760354 [0,1,0,1,0,0|0,0,2]=4 6494 B12R1.51 O=C(C=CCl)CCC1CCCC1 1458a_200016279998_100000760354 [0,1,0,1,0,0|0,0,2]=4 6495 B12R1.51 O=C(C=CI)CCC1CCCC1 1458a_100016256311_100000760354 [0,1,0,1,0,0|0,0,2]=4 6496 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,1,0,1,0,0|2,0,0]=4 6497 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,1,0,1,0,0|2,0,0]=4 6498 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,1,0,1,0,0|2,0,0]=4 6499 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,1,0,1,0,0|2,0,0]=4 6500 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [0,1,0,1,0,0|2,0,0]=4 6501 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [0,1,0,1,0,0|2,0,0]=4 6502 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [0,1,0,1,0,0|2,0,0]=4 6503 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,1,0,1,0,0|0,0,2]=4 6504 B12R1.308 C=CCN(C)C1CCCCC1C 270004a_100000225617_100000210921 [0,1,0,1,0,0|2,0,0]=4 6505 B12R1.310 C=CCC(C)COCCC1CC1 34a_100009832082_100000694398 [0,1,0,1,0,0|2,0,0]=4 6506 B12R1.310 C=CCC(C)COCCC1CC1 7a_100009832082_100000764125 [0,1,0,1,0,0|2,0,0]=4 6507 B12R1.310 C=CC[C@@H](N)COCCC1CC1 34a_100020615467_100000694398 [0,1,0,1,0,0|2,0,0]=4 6508 B12R1.315 C=CCC(C)COCC1CCC1 34a_100009832082_100000763275 [0,1,0,1,0,0|2,0,0]=4 6509 B12R1.315 C=CCC(C)COCC1CCC1 7a_100009832082_100000763275 [0,1,0,1,0,0|2,0,0]=4 6510 B12R1.315 C=CC[C@@H](N)COCC1CCC1 34a_100020615467_100000763275 [0,1,0,1,0,0|2,0,0]=4 6511 B12R1.316 C=CCN(C)C1CCCC1CC 270004a_100000225617_100000749056 [0,1,0,1,0,0|2,0,0]=4 6512 B12R1.348 CCCCN1CCCC(CC1)O 2230a_100015186869_100000210211 [0,1,0,1,0,0|0,0,2]=4 6513 B12R1.348 CCCCN1CCCC(CC1)O 269982a_100015186869_100000210211 [0,1,0,1,0,0|0,0,2]=4 6514 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [0,1,0,1,0,0|0,0,2]=4 6515 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,1,0,1,0,0|0,0,2]=4 6516 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,1,0,1,0,0|0,0,2]=4 6517 B12R1.1564 C=CCN(C)C1CCCCCC1 2230a_100015185097_100000210623 [0,1,0,1,0,0|2,0,0]=4 6518 B12R1.1564 C=CCN(C)C1CCCCCC1 269982a_100000225617_100011217769 [0,1,0,1,0,0|2,0,0]=4 6519 B12R1.1564 C=CCN(C)C1CCCCCC1 269982a_100015185097_100000210623 [0,1,0,1,0,0|2,0,0]=4 6520 B12R1.1564 C=CCN(C)C1CCCCCC1 270004a_100000225617_100000210131 [0,1,0,1,0,0|2,0,0]=4 6521 B12R1.1564 C=CCN(C)C1CCCCCC1 34a_100015185097_100015514636 [0,1,0,1,0,0|2,0,0]=4 6522 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,1,0,1,0,0|0,0,2]=4 6523 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,1,0,1,0,0|0,0,2]=4 6524 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,1,0,1,0,0|0,0,2]=4 6525 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,1,0,1,0,0|0,0,2]=4 6526 B12R1.1 CCCCCN1CCC(CC1)O 2230a_100025773856_100000210326 [0,1,0,1,0,0|0,0,2]=4 6527 B12R1.1 CCCCCN1CCC(CC1)O 269982a_100025773856_100000210215 [0,1,0,1,0,0|0,0,2]=4 6528 B12R1.1 CCCCNC1CCC(CC1)O 270004a_100000102301_100000764474 [0,1,0,1,0,0|0,0,2]=4 6529 B12R1.1 CCNCCC1CCC(CC1)O 34a_200011935226_100000210202 [0,1,0,1,0,0|0,0,2]=4 6530 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,1,0,1,0,0|0,0,2]=4 6531 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,1,0,1,0,0|0,0,2]=4 6532 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [0,1,0,1,0,0|0,0,2]=4 6533 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,1,0,1,0,0|0,0,2]=4 6534 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,1,0,1,0,0|0,0,2]=4 6535 B12R1.7 CCCCNN=C1C=CC(C1)O 4a_100025702795_100000069023 [0,1,0,1,0,0|1,0,1]=4 6536 B12R1.7 CCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210210 [0,1,0,1,0,0|1,0,0]=3 6537 B12R1.7 COCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100011201679 [0,1,0,1,0,0|2,0,0]=4 6538 B12R1.7 CSCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000212216 [0,1,0,1,0,0|2,0,0]=4 6539 B12R1.7 N[C@H]1C=C[C@H](C1)COCCCF 34a_100020646542_100011934791 [0,1,0,1,0,0|2,0,0]=4 6540 B12R1.7 N[C@H]1C=C[C@H](C1)COCCCO 34a_100020646542_100000230001 [0,1,0,1,0,0|2,0,0]=4 6541 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,1,0,0|0,0,2]=4 6542 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [0,1,0,1,0,0|0,0,2]=4 6543 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [0,1,0,1,0,0|0,0,2]=4 6544 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,1,0,1,0,0|0,0,2]=4 6545 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,1,0,1,0,0|0,0,2]=4 6546 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,1,0,1,0,0|0,0,2]=4 6547 B12R1.27 C=CC(C)COC1CCCCC1 34a_100011215527_100000210327 [0,1,0,1,0,0|1,0,0]=3 6548 B12R1.27 C=CC(C)COC1CCCCC1 7a_100011215527_100000210327 [0,1,0,1,0,0|1,0,0]=3 6549 B12R1.27 C=CC(C)COC1CCCOC1 34a_100011215527_100000693364 [0,1,0,1,0,0|2,0,0]=4 6550 B12R1.27 C=CC(C)COC1CCCOC1 7a_100011215527_100000693364 [0,1,0,1,0,0|2,0,0]=4 6551 B12R1.27 C=CC(C)COC1CCOCC1 7a_100011215527_100000686592 [0,1,0,1,0,0|2,0,0]=4 6552 B12R1.27 C=CC(C)COC1CCSCC1 34a_100011215527_100000069128 [0,1,0,1,0,0|2,0,0]=4 6553 B12R1.27 C=CC(C)COC1CCSCC1 7a_100011215527_100011500858 [0,1,0,1,0,0|2,0,0]=4 6554 B12R1.27 C=CC(C)OCC1CCCCC1 34a_100000695699_100000211423 [0,1,0,1,0,0|1,0,0]=3 6555 B12R1.27 C=CC(C)OCC1CCCCO1 34a_100000695699_100000211543 [0,1,0,1,0,0|2,0,0]=4 6556 B12R1.27 C=CC(C)OCC1CCCOC1 34a_100000695699_100000741521 [0,1,0,1,0,0|2,0,0]=4 6557 B12R1.27 C=CC(C)OCC1CCOCC1 34a_100000695699_100000754603 [0,1,0,1,0,0|2,0,0]=4 6558 B12R1.27 C=CC(C)SCC1CCCCC1 62a_100011215867_100000211423 [0,1,0,1,0,0|1,0,0]=3 6559 B12R1.27 C=CC(C)SCC1CCCCO1 62a_100011215867_100000211543 [0,1,0,1,0,0|2,0,0]=4 6560 B12R1.27 C=CC(C)SCC1CCCOC1 62a_100011215867_100000741521 [0,1,0,1,0,0|2,0,0]=4 6561 B12R1.27 C=CC(C)SCC1CCOCC1 62a_100011215867_100000749018 [0,1,0,1,0,0|2,0,0]=4 6562 B12R1.27 C=CC(O)CNC1CCCCC1 2230a_100000182618_100000730141 [0,1,0,1,0,0|0,0,0]=2 6563 B12R1.27 C=CC(O)CNC1CCCCC1 34a_100000182618_100000730141 [0,1,0,1,0,0|0,0,0]=2 6564 B12R1.27 C=CC(O)CNC1CCCOC1 2230a_100000719290_100000730141 [0,1,0,1,0,0|1,0,0]=3 6565 B12R1.27 C=CC(O)CNC1CCCOC1 34a_100000719290_100000730141 [0,1,0,1,0,0|1,0,0]=3 6566 B12R1.27 C=CC(O)CNC1CCOCC1 2230a_100000741149_100000730141 [0,1,0,1,0,0|1,0,0]=3 6567 B12R1.27 C=CC(O)CNC1CCOCC1 34a_100000741149_100000730141 [0,1,0,1,0,0|1,0,0]=3 6568 B12R1.27 C=CC(O)CNC1CCSCC1 2230a_100000748639_100000730141 [0,1,0,1,0,0|1,0,0]=3 6569 B12R1.27 C=CC(O)CNC1CCSCC1 34a_100000748639_100000730141 [0,1,0,1,0,0|1,0,0]=3 6570 B12R1.27 C=CC(O)COC1C=CCCC1 34a_100011215024_100000730141 [0,1,0,1,0,0|0,0,2]=4 6571 B12R1.27 C=CC(O)COC1CC=CCC1 34a_100000073881_100000730141 [0,1,0,1,0,0|0,0,2]=4 6572 B12R1.27 C=CC(O)COC1CCCCC1 34a_100000210231_100000730141 [0,1,0,1,0,0|0,0,0]=2 6573 B12R1.27 C=CC(O)COC1CCCCC1 7a_100000210231_100000730141 [0,1,0,1,0,0|0,0,0]=2 6574 B12R1.27 C=CC(O)COC1CCCCO1 34a_100000033831_100000730141 [0,1,0,1,0,0|1,0,0]=3 6575 B12R1.27 C=CC(O)COC1CCCOC1 34a_100000754041_100000730141 [0,1,0,1,0,0|1,0,0]=3 6576 B12R1.27 C=CC(O)COC1CCCSC1 7a_100015962668_100000730141 [0,1,0,1,0,0|1,0,0]=3 6577 B12R1.27 C=CC(O)COC1CCOCC1 34a_100000744328_100000730141 [0,1,0,1,0,0|1,0,0]=3 6578 B12R1.27 C=CC(O)COC1CCSCC1 34a_100000731022_100000730141 [0,1,0,1,0,0|1,0,0]=3 6579 B12R1.27 C=CC(O)COC1CCSCC1 7a_100000731022_100000730141 [0,1,0,1,0,0|1,0,0]=3 6580 B12R1.27 C=CC(O)CSC1C=CCCC1 62a_100000730141_100000751183 [0,1,0,1,0,0|0,0,2]=4 6581 B12R1.27 C=CC(O)CSC1C=CCCC1 62a_100000751183_100000730141 [0,1,0,1,0,0|0,0,2]=4 6582 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000210327_100000730141 [0,1,0,1,0,0|0,0,0]=2 6583 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000730141_100000210327 [0,1,0,1,0,0|0,0,0]=2 6584 B12R1.27 C=CC(O)CSC1CCCOC1 62a_100000730141_100000693364 [0,1,0,1,0,0|1,0,0]=3 6585 B12R1.27 C=CC(O)CSC1CCOCC1 62a_100000730141_100011324220 [0,1,0,1,0,0|1,0,0]=3 6586 B12R1.27 C=CC(O)CSC1CCSCC1 62a_100000730141_100000069128 [0,1,0,1,0,0|1,0,0]=3 6587 B12R1.27 C=C[C@H](N)COC1CCCCC1 34a_100016989147_100000210327 [0,1,0,1,0,0|1,0,0]=3 6588 B12R1.27 C=C[C@H](N)COC1CCCOC1 34a_100016989147_100000693364 [0,1,0,1,0,0|2,0,0]=4 6589 B12R1.27 C=C[C@H](N)COC1CCSCC1 34a_100016989147_100000069128 [0,1,0,1,0,0|2,0,0]=4 6590 B12R1.27 CCC(O)CNC1CCCCC1 2230a_100000182618_100011218378 [0,1,0,1,0,0|0,0,2]=4 6591 B12R1.27 CCC(O)CNC1CCCCC1 270004a_100011218483_100000210434 [0,1,0,1,0,0|0,0,2]=4 6592 B12R1.27 CCC(O)CNC1CCCCC1 34a_100000182618_100011218378 [0,1,0,1,0,0|0,0,2]=4 6593 B12R1.27 CCC(O)COC1CCCCC1 34a_100000210231_100011218378 [0,1,0,1,0,0|0,0,2]=4 6594 B12R1.27 CCC(O)COC1CCCCC1 7a_100000210231_100011218378 [0,1,0,1,0,0|0,0,2]=4 6595 B12R1.27 CCC(O)CSC1CCCCC1 62a_100000210327_100011218378 [0,1,0,1,0,0|0,0,2]=4 6596 B12R1.27 CCC(O)CSC1CCCCC1 62a_100011218378_100000210327 [0,1,0,1,0,0|0,0,2]=4 6597 B12R1.27 OCC(O)CNC1CCCCC1 2230a_100000182618_100011219619 [0,1,0,1,0,0|1,0,1]=4 6598 B12R1.27 OCC(O)CNC1CCCCC1 34a_100000182618_100011219619 [0,1,0,1,0,0|1,0,1]=4 6599 B12R1.27 OCC(O)COC1CCCCC1 34a_100000210231_100011219619 [0,1,0,1,0,0|1,0,1]=4 6600 B12R1.27 OCC(O)COC1CCCCC1 7a_100000210231_100011219619 [0,1,0,1,0,0|1,0,1]=4 6601 B12R1.27 OCC(O)CSC1CCCCC1 62a_100000210327_100011219619 [0,1,0,1,0,0|1,0,1]=4 6602 B12R1.27 OCC(O)CSC1CCCCC1 62a_100011219619_100000210327 [0,1,0,1,0,0|1,0,1]=4 6603 B12R1.27 OC[C@H](O)CNC1CCCCC1 2230a_100000182618_100009815848 [0,1,0,1,0,0|1,0,1]=4 6604 B12R1.27 OC[C@H](O)CNC1CCCCC1 34a_100000182618_100009815848 [0,1,0,1,0,0|1,0,1]=4 6605 B12R1.27 OC[C@H](O)COC1CCCCC1 34a_100000210231_100009815848 [0,1,0,1,0,0|1,0,1]=4 6606 B12R1.27 OC[C@H](O)COC1CCCCC1 7a_100000210231_100009815848 [0,1,0,1,0,0|1,0,1]=4 6607 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100000210327_100009815848 [0,1,0,1,0,0|1,0,1]=4 6608 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100009815848_100000210327 [0,1,0,1,0,0|1,0,1]=4 6609 B12R1.27 O[C@@H](CF)CNC1CCCCC1 2230a_100000182618_100015614560 [0,1,0,1,0,0|1,0,1]=4 6610 B12R1.27 O[C@@H](CF)CNC1CCCCC1 34a_100000182618_100015614560 [0,1,0,1,0,0|1,0,1]=4 6611 B12R1.27 O[C@@H](CF)COC1CCCCC1 34a_100000210231_100015614560 [0,1,0,1,0,0|1,0,1]=4 6612 B12R1.27 O[C@@H](CF)COC1CCCCC1 7a_100000210231_100015614560 [0,1,0,1,0,0|1,0,1]=4 6613 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100000210327_100015614560 [0,1,0,1,0,0|1,0,1]=4 6614 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100015614560_100000210327 [0,1,0,1,0,0|1,0,1]=4 6615 B12R1.77 C=CC(=O)N1CCCCC1CC 1626a_100000210034_100000185746 [0,1,0,1,0,0|0,0,2]=4 6616 B12R1.77 C=CC(=O)N1CCCCC1CC 240690a_100000210034_200121576911 [0,1,0,1,0,0|0,0,2]=4 6617 B12R1.77 C=CC(C)N1CCCCC1CC 269982a_100000210034_100011215867 [0,1,0,1,0,0|1,0,0]=3 6618 B12R1.77 C=CC(C)N1CCCCC1CO 269982a_100000210821_100011215867 [0,1,0,1,0,0|2,0,0]=4 6619 B12R1.77 C=CC(C)N1CCOC[C@@H]1CC 269982a_100016988097_100011215867 [0,1,0,1,0,0|2,0,0]=4 6620 B12R1.82 C=CC(O)CN1CC=CC1CC 2230a_100000730860_100000730141 [0,1,0,1,0,0|0,0,2]=4 6621 B12R1.82 C=CC(O)CN1CC=CC1CC 34a_100000730860_100000730141 [0,1,0,1,0,0|0,0,2]=4 6622 B12R1.82 C=CC(O)CN1CCCC1C#N 2230a_100000701862_100000730141 [0,1,0,1,0,0|1,0,1]=4 6623 B12R1.82 C=CC(O)CN1CCCC1CC 2230a_100000754278_100000730141 [0,1,0,1,0,0|0,0,0]=2 6624 B12R1.82 C=CC(O)CN1CCCC1CC 34a_100000754278_100000730141 [0,1,0,1,0,0|0,0,0]=2 6625 B12R1.82 C=CC(O)CN1CCC[C@@H]1C#N 2230a_106645074975_100000730141 [0,1,0,1,0,0|1,0,1]=4 6626 B12R1.82 C=CC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100000730141 [0,1,0,1,0,0|1,0,0]=3 6627 B12R1.82 C=CC(O)CN1CCC[C@@H]1CO 34a_100000745186_100000730141 [0,1,0,1,0,0|1,0,0]=3 6628 B12R1.82 CCC(O)CN1CCCC1CC 2230a_100000754278_100011218378 [0,1,0,1,0,0|0,0,2]=4 6629 B12R1.82 CCC(O)CN1CCCC1CC 269982a_100000754278_100011218378 [0,1,0,1,0,0|0,0,2]=4 6630 B12R1.82 CCC(O)CN1CCCC1CC 34a_100000754278_100011218378 [0,1,0,1,0,0|0,0,2]=4 6631 B12R1.82 CCC1CCCN1CC(O)CO 2230a_100000754278_100011219619 [0,1,0,1,0,0|1,0,1]=4 6632 B12R1.82 CCC1CCCN1CC(O)CO 34a_100000754278_100011219619 [0,1,0,1,0,0|1,0,1]=4 6633 B12R1.82 CCC1CCCN1C[C@@H](O)CF 2230a_100000754278_100015614560 [0,1,0,1,0,0|1,0,1]=4 6634 B12R1.82 CCC1CCCN1C[C@@H](O)CF 34a_100000754278_100015614560 [0,1,0,1,0,0|1,0,1]=4 6635 B12R1.82 CCC1CCCN1C[C@@H](O)CO 2230a_100000754278_100009815848 [0,1,0,1,0,0|1,0,1]=4 6636 B12R1.82 CCC1CCCN1C[C@@H](O)CO 34a_100000754278_100009815848 [0,1,0,1,0,0|1,0,1]=4 6637 B12R1.163 C=CC(O)CN1CCC1COC 2230a_100015195929_100000730141 [0,1,0,1,0,0|1,0,0]=3 6638 B12R1.163 C=CC(O)CN1CCC1COC 34a_100015195929_100000730141 [0,1,0,1,0,0|1,0,0]=3 6639 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,1,0,1,0,0|0,0,2]=4 6640 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,1,0,1,0,0|0,0,2]=4 6641 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,1,0,1,0,0|0,0,2]=4 6642 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,1,0,1,0,0|0,0,2]=4 6643 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,1,0,1,0,0|0,0,2]=4 6644 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,1,0,1,0,0|0,0,2]=4 6645 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,1,0,1,0,0|0,0,2]=4 6646 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,1,0,1,0,0|0,0,2]=4 6647 B12R1.291 C=CC(C)N1CCC[C@H]1COC 269982a_100020646714_100011215867 [0,1,0,1,0,0|2,0,0]=4 6648 B12R1.353 C=CC(=O)CCC1CCCN1C 1458a_100000185746_100000005710 [0,1,0,1,0,0|0,0,2]=4 6649 B12R1.353 C=CC(O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000730141 [0,1,0,1,0,0|2,0,0]=4 6650 B12R1.353 C=CC(O)COC1CCCC1=O 34a_200000719330_100000730141 [0,1,0,1,0,0|1,0,1]=4 6651 B12R1.353 C=CC(O)COC1CCCC1C 34a_100011216460_100000730141 [0,1,0,1,0,0|0,0,0]=2 6652 B12R1.353 C=CC(O)COC1CCCC1C 7a_100011216460_100000730141 [0,1,0,1,0,0|0,0,0]=2 6653 B12R1.353 C=CC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000730141 [0,1,0,1,0,0|1,0,0]=3 6654 B12R1.353 C=CC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000730141 [0,1,0,1,0,0|1,0,0]=3 6655 B12R1.353 C=CC(O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000730141 [0,1,0,1,0,0|1,0,0]=3 6656 B12R1.353 C=CC(O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000730141 [0,1,0,1,0,0|2,0,0]=4 6657 B12R1.353 C=CC(O)CSC1CCCC1=O 62a_100000211823_100000730141 [0,1,0,1,0,0|1,0,1]=4 6658 B12R1.353 C=CC(O)CSC1CCCC1=O 62a_100000730141_100000211823 [0,1,0,1,0,0|1,0,1]=4 6659 B12R1.353 C=CC(O)CSC1COCC1O 62a_100000730141_200000725654 [0,1,0,1,0,0|2,0,0]=4 6660 B12R1.353 C=CC(O)CSC1COCC1O 62a_200000725654_100000730141 [0,1,0,1,0,0|2,0,0]=4 6661 B12R1.353 C=CC(O)CS[C@@H]1CCC[C@H]1O 62a_100000730141_200016002552 [0,1,0,1,0,0|1,0,0]=3 6662 B12R1.353 C=CC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000730141 [0,1,0,1,0,0|1,0,0]=3 6663 B12R1.353 CC1CCCC1NC[C@H](O)CO 269862a_100020644852_100000752053 [0,1,0,1,0,0|1,0,1]=4 6664 B12R1.353 CC1CCCC1OCC(O)CO 34a_100011216460_100011219619 [0,1,0,1,0,0|1,0,1]=4 6665 B12R1.353 CC1CCCC1OCC(O)CO 7a_100011216460_100011219619 [0,1,0,1,0,0|1,0,1]=4 6666 B12R1.353 CC1CCCC1OC[C@@H](O)CF 34a_100011216460_100015614560 [0,1,0,1,0,0|1,0,1]=4 6667 B12R1.353 CC1CCCC1OC[C@@H](O)CF 7a_100011216460_100015614560 [0,1,0,1,0,0|1,0,1]=4 6668 B12R1.353 CC1CCCC1OC[C@@H](O)CO 34a_100011216460_100009815848 [0,1,0,1,0,0|1,0,1]=4 6669 B12R1.353 CC1CCCC1OC[C@@H](O)CO 7a_100011216460_100009815848 [0,1,0,1,0,0|1,0,1]=4 6670 B12R1.353 CCC(O)CNC1CCCC1C 269862a_100011218483_100000752053 [0,1,0,1,0,0|0,0,2]=4 6671 B12R1.353 CCC(O)COC1CCCC1C 34a_100011216460_100011218378 [0,1,0,1,0,0|0,0,2]=4 6672 B12R1.353 CCC(O)COC1CCCC1C 7a_100011216460_100011218378 [0,1,0,1,0,0|0,0,2]=4 6673 B12R1.356 C=CC(O)COCCC1COC1 34a_100009855314_100000730141 [0,1,0,1,0,0|1,0,0]=3 6674 B12R1.360 C=CC(C)COCCCC1CO1 34a_100011215527_100000733510 [0,1,0,1,0,0|2,0,0]=4 6675 B12R1.360 C=CC(C)COCCCC1CO1 7a_100011215527_100000733510 [0,1,0,1,0,0|2,0,0]=4 6676 B12R1.360 C=CC(O)COCC#CC1CC1 34a_100000083941_100000730141 [0,1,0,1,0,0|0,0,2]=4 6677 B12R1.360 C=CC(O)COCC#CC1CC1 7a_100000083941_100000730141 [0,1,0,1,0,0|0,0,2]=4 6678 B12R1.360 C=CC(O)COCCNC1CC1 34a_100000738766_100000730141 [0,1,0,1,0,0|1,0,0]=3 6679 B12R1.360 C=CC(O)CSCC#CC1CC1 62a_100000730141_100009895102 [0,1,0,1,0,0|0,0,2]=4 6680 B12R1.360 C=CC(O)CSCC#CC1CC1 62a_100009895102_100000730141 [0,1,0,1,0,0|0,0,2]=4 6681 B12R1.360 C=CC(O)CSCCCC1CO1 62a_100000730141_100000733510 [0,1,0,1,0,0|1,0,0]=3 6682 B12R1.360 C=CC(O)CSCCCC1CO1 62a_100000733510_100000730141 [0,1,0,1,0,0|1,0,0]=3 6683 B12R1.360 C=C[C@H](N)COCCCC1CO1 34a_100016989147_100000733510 [0,1,0,1,0,0|2,0,0]=4 6684 B12R1.371 C=CC(=O)CC1CCCCN1C 1458a_100000185746_100015185383 [0,1,0,1,0,0|0,0,2]=4 6685 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,1,0,1,0,0|0,0,2]=4 6686 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,1,0,1,0,0|0,0,2]=4 6687 B12R1.371 C=CC(C)OC1CCCCC1F 34a_100000695699_100015423560 [0,1,0,1,0,0|2,0,0]=4 6688 B12R1.371 C=CC(C)OC1CCCCC1O 34a_100000695699_100000038908 [0,1,0,1,0,0|2,0,0]=4 6689 B12R1.371 C=CC(C)SC1CCCCC1F 62a_100011215867_100015423560 [0,1,0,1,0,0|2,0,0]=4 6690 B12R1.371 C=CC(C)SC1CCCCC1O 62a_100011215867_100000038908 [0,1,0,1,0,0|2,0,0]=4 6691 B12R1.371 C=CC(O)CN1CCCCC1C 2230a_100000211376_100000730141 [0,1,0,1,0,0|0,0,0]=2 6692 B12R1.371 C=CC(O)CN1CCCCC1C 34a_100000211376_100000730141 [0,1,0,1,0,0|0,0,0]=2 6693 B12R1.371 C=CC(O)CN1CCOC[C@@H]1C 2230a_100009815349_100000730141 [0,1,0,1,0,0|1,0,0]=3 6694 B12R1.371 C=CC(O)CN1CCOC[C@@H]1C 34a_100009815349_100000730141 [0,1,0,1,0,0|1,0,0]=3 6695 B12R1.371 CC1CCCCN1CC(O)CO 2230a_100000211376_100011219619 [0,1,0,1,0,0|1,0,1]=4 6696 B12R1.371 CC1CCCCN1CC(O)CO 34a_100000211376_100011219619 [0,1,0,1,0,0|1,0,1]=4 6697 B12R1.371 CC1CCCCN1C[C@@H](O)CF 2230a_100000211376_100015614560 [0,1,0,1,0,0|1,0,1]=4 6698 B12R1.371 CC1CCCCN1C[C@@H](O)CF 34a_100000211376_100015614560 [0,1,0,1,0,0|1,0,1]=4 6699 B12R1.371 CC1CCCCN1C[C@@H](O)CO 2230a_100000211376_100009815848 [0,1,0,1,0,0|1,0,1]=4 6700 B12R1.371 CC1CCCCN1C[C@@H](O)CO 34a_100000211376_100009815848 [0,1,0,1,0,0|1,0,1]=4 6701 B12R1.371 CCC(O)CN1CCCCC1C 2230a_100000211376_100011218378 [0,1,0,1,0,0|0,0,2]=4 6702 B12R1.371 CCC(O)CN1CCCCC1C 269982a_100000211376_100011218378 [0,1,0,1,0,0|0,0,2]=4 6703 B12R1.371 CCC(O)CN1CCCCC1C 34a_100000211376_100011218378 [0,1,0,1,0,0|0,0,2]=4 6704 B12R1.455 CCCCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000210211 [0,1,0,1,0,0|1,0,0]=3 6705 B12R1.455 CCCCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000210210 [0,1,0,1,0,0|1,0,0]=3 6706 B12R1.455 COCCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100011201679 [0,1,0,1,0,0|2,0,0]=4 6707 B12R1.455 COCCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100011201679 [0,1,0,1,0,0|2,0,0]=4 6708 B12R1.455 CSCCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000751147 [0,1,0,1,0,0|2,0,0]=4 6709 B12R1.455 CSCCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000212216 [0,1,0,1,0,0|2,0,0]=4 6710 B12R1.455 OCCCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000230001 [0,1,0,1,0,0|2,0,0]=4 6711 B12R1.455 OCCCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000230001 [0,1,0,1,0,0|2,0,0]=4 6712 B12R1.455 OC[C@@H]1C=C[C@@H](C1)NCCCF 2230a_100020646542_100011934791 [0,1,0,1,0,0|2,0,0]=4 6713 B12R1.455 OC[C@@H]1C=C[C@@H](C1)NCCCF 34a_100020646542_100011934791 [0,1,0,1,0,0|2,0,0]=4 6714 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,1,0,1,0,0|0,0,2]=4 6715 B12R1.477 C=CC(=O)CCCN1CCCC1 1458a_100000185746_100011445909 [0,1,0,1,0,0|0,0,2]=4 6716 B12R1.477 C=CC(=O)NCCC1CCCC1 1626a_100000739158_100000185746 [0,1,0,1,0,0|0,0,2]=4 6717 B12R1.477 C=CC(=O)NCCC1CCCC1 240690a_100000739158_200121576911 [0,1,0,1,0,0|0,0,2]=4 6718 B12R1.477 C=CC(C)COCC1CCCC1 34a_100011215527_100000740388 [0,1,0,1,0,0|1,0,0]=3 6719 B12R1.477 C=CC(C)COCC1CCCC1 7a_100011215527_100000740388 [0,1,0,1,0,0|1,0,0]=3 6720 B12R1.477 C=CC(C)COCC1CCCO1 7a_100011215527_100000203698 [0,1,0,1,0,0|2,0,0]=4 6721 B12R1.477 C=CC(C)COCC1CCOC1 34a_100011215527_100011261433 [0,1,0,1,0,0|2,0,0]=4 6722 B12R1.477 C=CC(C)COCC1CCOC1 7a_100011215527_100000702531 [0,1,0,1,0,0|2,0,0]=4 6723 B12R1.477 C=CC(C)OCCC1CCCC1 34a_100000695699_100000760354 [0,1,0,1,0,0|1,0,0]=3 6724 B12R1.477 C=CC(C)SCCC1CCCC1 62a_100011215867_100000760354 [0,1,0,1,0,0|1,0,0]=3 6725 B12R1.477 C=CC(C)SCCN1CCCC1 62a_100011215867_100000004467 [0,1,0,1,0,0|2,0,0]=4 6726 B12R1.477 C=CC(O)CNCC1CCCC1 2230a_100000737975_100000730141 [0,1,0,1,0,0|0,0,0]=2 6727 B12R1.477 C=CC(O)CNCC1CCCC1 34a_100000737975_100000730141 [0,1,0,1,0,0|0,0,0]=2 6728 B12R1.477 C=CC(O)CNCC1CCOC1 2230a_100000737293_100000730141 [0,1,0,1,0,0|1,0,0]=3 6729 B12R1.477 C=CC(O)CNCC1CCOC1 34a_100000737293_100000730141 [0,1,0,1,0,0|1,0,0]=3 6730 B12R1.477 C=CC(O)CNCC1OCCO1 2230a_100000036311_100000730141 [0,1,0,1,0,0|2,0,0]=4 6731 B12R1.477 C=CC(O)CNCC1OCCO1 34a_100000036311_100000730141 [0,1,0,1,0,0|2,0,0]=4 6732 B12R1.477 C=CC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100000730141 [0,1,0,1,0,0|1,0,0]=3 6733 B12R1.477 C=CC(O)CNC[C@@H]1CCCO1 34a_100020590478_100000730141 [0,1,0,1,0,0|1,0,0]=3 6734 B12R1.477 C=CC(O)COCC1CC=CC1 34a_100000688395_100000730141 [0,1,0,1,0,0|0,0,2]=4 6735 B12R1.477 C=CC(O)COCC1CCCC1 34a_100000742336_100000730141 [0,1,0,1,0,0|0,0,0]=2 6736 B12R1.477 C=CC(O)COCC1CCCC1 7a_100000742336_100000730141 [0,1,0,1,0,0|0,0,0]=2 6737 B12R1.477 C=CC(O)COCC1CCCO1 34a_100000210270_100000730141 [0,1,0,1,0,0|1,0,0]=3 6738 B12R1.477 C=CC(O)COCC1CCCO1 7a_100000210270_100000730141 [0,1,0,1,0,0|1,0,0]=3 6739 B12R1.477 C=CC(O)COCC1CCNC1 34a_100000748654_100000730141 [0,1,0,1,0,0|1,0,0]=3 6740 B12R1.477 C=CC(O)COCC1CCOC1 34a_100000740260_100000730141 [0,1,0,1,0,0|1,0,0]=3 6741 B12R1.477 C=CC(O)COCC1COCO1 34a_100011216627_100000730141 [0,1,0,1,0,0|2,0,0]=4 6742 B12R1.477 C=CC(O)COCC1OCCO1 34a_100000087154_100000730141 [0,1,0,1,0,0|2,0,0]=4 6743 B12R1.477 C=CC(O)COC[C@H]1CCCN1 34a_100000745186_100000730141 [0,1,0,1,0,0|1,0,0]=3 6744 B12R1.477 C=CC(O)CSCC1CCCC1 62a_100000730141_100000740388 [0,1,0,1,0,0|0,0,0]=2 6745 B12R1.477 C=CC(O)CSCC1CCCC1 62a_100000740388_100000730141 [0,1,0,1,0,0|0,0,0]=2 6746 B12R1.477 C=CC(O)CSCC1CCCO1 62a_100000203698_100000730141 [0,1,0,1,0,0|1,0,0]=3 6747 B12R1.477 C=CC(O)CSCC1CCCO1 62a_100000730141_100000203698 [0,1,0,1,0,0|1,0,0]=3 6748 B12R1.477 C=CC(O)CSCC1CCOC1 62a_100000702531_100000730141 [0,1,0,1,0,0|1,0,0]=3 6749 B12R1.477 C=CC(O)CSCC1CCOC1 62a_100000730141_100000702531 [0,1,0,1,0,0|1,0,0]=3 6750 B12R1.477 C=CC(O)CSCC1OCCO1 62a_100000730141_100000755774 [0,1,0,1,0,0|2,0,0]=4 6751 B12R1.477 C=CC(O)CSCC1OCCO1 62a_100000755774_100000730141 [0,1,0,1,0,0|2,0,0]=4 6752 B12R1.477 C=C[C@H](N)COCC1CCCC1 34a_100016989147_100000740388 [0,1,0,1,0,0|1,0,0]=3 6753 B12R1.477 C=C[C@H](N)COCC1CCOC1 34a_100016989147_100011261433 [0,1,0,1,0,0|2,0,0]=4 6754 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100000737975_100011218378 [0,1,0,1,0,0|0,0,2]=4 6755 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100011218483_100000740388 [0,1,0,1,0,0|0,0,2]=4 6756 B12R1.477 CCC(O)CNCC1CCCC1 269862a_100011218483_100000746403 [0,1,0,1,0,0|0,0,2]=4 6757 B12R1.477 CCC(O)CNCC1CCCC1 34a_100000737975_100011218378 [0,1,0,1,0,0|0,0,2]=4 6758 B12R1.477 CCC(O)COCC1CCCC1 34a_100000742336_100011218378 [0,1,0,1,0,0|0,0,2]=4 6759 B12R1.477 CCC(O)COCC1CCCC1 7a_100000742336_100011218378 [0,1,0,1,0,0|0,0,2]=4 6760 B12R1.477 CCC(O)CSCC1CCCC1 62a_100000740388_100011218378 [0,1,0,1,0,0|0,0,2]=4 6761 B12R1.477 CCC(O)CSCC1CCCC1 62a_100011218378_100000740388 [0,1,0,1,0,0|0,0,2]=4 6762 B12R1.477 OCC(O)CNCC1CCCC1 2230a_100000737975_100011219619 [0,1,0,1,0,0|1,0,1]=4 6763 B12R1.477 OCC(O)CNCC1CCCC1 34a_100000737975_100011219619 [0,1,0,1,0,0|1,0,1]=4 6764 B12R1.477 OCC(O)COCC1CCCC1 34a_100000742336_100011219619 [0,1,0,1,0,0|1,0,1]=4 6765 B12R1.477 OCC(O)COCC1CCCC1 7a_100000742336_100011219619 [0,1,0,1,0,0|1,0,1]=4 6766 B12R1.477 OCC(O)CSCC1CCCC1 62a_100000740388_100011219619 [0,1,0,1,0,0|1,0,1]=4 6767 B12R1.477 OCC(O)CSCC1CCCC1 62a_100011219619_100000740388 [0,1,0,1,0,0|1,0,1]=4 6768 B12R1.477 OC[C@@H](O)CNCC1CCCC1 2230a_100020644852_100000740388 [0,1,0,1,0,0|1,0,1]=4 6769 B12R1.477 OC[C@@H](O)CNCC1CCCC1 269862a_100020644852_100000746403 [0,1,0,1,0,0|1,0,1]=4 6770 B12R1.477 OC[C@H](O)CNCC1CCCC1 2230a_100000737975_100009815848 [0,1,0,1,0,0|1,0,1]=4 6771 B12R1.477 OC[C@H](O)CNCC1CCCC1 34a_100000737975_100009815848 [0,1,0,1,0,0|1,0,1]=4 6772 B12R1.477 OC[C@H](O)COCC1CCCC1 34a_100000742336_100009815848 [0,1,0,1,0,0|1,0,1]=4 6773 B12R1.477 OC[C@H](O)COCC1CCCC1 7a_100000742336_100009815848 [0,1,0,1,0,0|1,0,1]=4 6774 B12R1.477 OC[C@H](O)CSCC1CCCC1 62a_100000740388_100009815848 [0,1,0,1,0,0|1,0,1]=4 6775 B12R1.477 OC[C@H](O)CSCC1CCCC1 62a_100009815848_100000740388 [0,1,0,1,0,0|1,0,1]=4 6776 B12R1.477 O[C@@H](CF)CNCC1CCCC1 2230a_100000737975_100015614560 [0,1,0,1,0,0|1,0,1]=4 6777 B12R1.477 O[C@@H](CF)CNCC1CCCC1 34a_100000737975_100015614560 [0,1,0,1,0,0|1,0,1]=4 6778 B12R1.477 O[C@@H](CF)COCC1CCCC1 34a_100000742336_100015614560 [0,1,0,1,0,0|1,0,1]=4 6779 B12R1.477 O[C@@H](CF)COCC1CCCC1 7a_100000742336_100015614560 [0,1,0,1,0,0|1,0,1]=4 6780 B12R1.477 O[C@@H](CF)CSCC1CCCC1 62a_100000740388_100015614560 [0,1,0,1,0,0|1,0,1]=4 6781 B12R1.477 O[C@@H](CF)CSCC1CCCC1 62a_100015614560_100000740388 [0,1,0,1,0,0|1,0,1]=4 6782 B12R1.821 CCCCCCNCC1(CC1)O 2230a_100011936951_100000210314 [0,1,0,1,0,0|0,0,2]=4 6783 B12R1.1659 C=CC(=O)N1CCCCCCC1 1626a_100000211400_100000185746 [0,1,0,1,0,0|0,0,2]=4 6784 B12R1.1659 C=CC(=O)N1CCCCCCC1 240690a_100000211400_200121576911 [0,1,0,1,0,0|0,0,2]=4 6785 B12R1.1659 C=CC(C)N1CCCCCCC1 269982a_100000211400_100011215867 [0,1,0,1,0,0|1,0,0]=3 6786 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,1,0,1,0,0|0,0,2]=4 6787 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,1,0,1,0,0|0,0,2]=4 6788 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,1,0,1,0,0|0,0,2]=4 6789 B12R1.1748 C=CC(C)OC1CCCCCC1 34a_100000695699_100011217769 [0,1,0,1,0,0|1,0,0]=3 6790 B12R1.1748 C=CC(C)SC1CCCCCC1 62a_100011215867_100011217769 [0,1,0,1,0,0|1,0,0]=3 6791 B12R1.1748 C=CC(O)CN1CCCCCC1 2230a_100000185865_100000730141 [0,1,0,1,0,0|0,0,0]=2 6792 B12R1.1748 C=CC(O)CN1CCCCCC1 34a_100000185865_100000730141 [0,1,0,1,0,0|0,0,0]=2 6793 B12R1.1748 C=CC(O)CN1CCCOCC1 2230a_100000685342_100000730141 [0,1,0,1,0,0|1,0,0]=3 6794 B12R1.1748 C=CC(O)CN1CCCOCC1 34a_100000685342_100000730141 [0,1,0,1,0,0|1,0,0]=3 6795 B12R1.1748 CCC(O)CN1CCCCCC1 2230a_100000185865_100011218378 [0,1,0,1,0,0|0,0,2]=4 6796 B12R1.1748 CCC(O)CN1CCCCCC1 269982a_100000185865_100011218378 [0,1,0,1,0,0|0,0,2]=4 6797 B12R1.1748 CCC(O)CN1CCCCCC1 34a_100000185865_100011218378 [0,1,0,1,0,0|0,0,2]=4 6798 B12R1.1748 OCC(O)CN1CCCCCC1 2230a_100000185865_100011219619 [0,1,0,1,0,0|1,0,1]=4 6799 B12R1.1748 OCC(O)CN1CCCCCC1 34a_100000185865_100011219619 [0,1,0,1,0,0|1,0,1]=4 6800 B12R1.1748 OC[C@H](O)CN1CCCCCC1 2230a_100000185865_100009815848 [0,1,0,1,0,0|1,0,1]=4 6801 B12R1.1748 OC[C@H](O)CN1CCCCCC1 34a_100000185865_100009815848 [0,1,0,1,0,0|1,0,1]=4 6802 B12R1.1748 O[C@@H](CF)CN1CCCCCC1 2230a_100000185865_100015614560 [0,1,0,1,0,0|1,0,1]=4 6803 B12R1.1748 O[C@@H](CF)CN1CCCCCC1 34a_100000185865_100015614560 [0,1,0,1,0,0|1,0,1]=4 6804 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210314 [0,1,0,1,0,0|0,0,2]=4 6805 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210757 [0,1,0,1,0,0|0,0,2]=4 6806 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,1,0,1,0,0|0,0,2]=4 6807 B12R1.43 C=C(C)C(C)NC1CCCCC1 269862a_100000182618_100011216138 [0,1,0,1,0,0|2,0,0]=4 6808 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,1,0,1,0,0|1,0,1]=4 6809 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,1,0,1,0,0|0,0,1]=3 6810 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,1,0,1,0,0|1,0,1]=4 6811 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,1,0,1,0,0|0,0,1]=3 6812 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,1,0,0|0,0,2]=4 6813 B12R1.264 C=C(C)C(C)NCC1CCCC1 269862a_100000737975_100011216138 [0,1,0,1,0,0|2,0,0]=4 6814 B12R1.2197 C=C(C)C(=O)C1CCCCCC1 1458a_100000185857_100011217769 [0,1,0,1,0,0|0,0,2]=4 6815 B12R1.194 C=CC(C)(C)OC1CCCCC1 34a_100011215311_100000210327 [0,1,0,1,0,0|2,0,0]=4 6816 B12R1.194 C=CC(C)(C)OC1CCCCC1 7a_100011215311_100000210327 [0,1,0,1,0,0|2,0,0]=4 6817 B12R1.194 C=CC(F)(F)SC1CCCCC1 62a_100000210327_100009814244 [0,1,0,1,0,0|2,0,0]=4 6818 B12R1.194 C=CC(F)(F)SC1CCCCC1 62a_100009814244_100000210327 [0,1,0,1,0,0|2,0,0]=4 6819 B12R1.195 C=CC(F)(F)N1CCCCC1C 269982a_100000211376_100009814244 [0,1,0,1,0,0|2,0,0]=4 6820 B12R1.196 C=CC(C)(C)OCC1CCCC1 34a_100011215311_100000740388 [0,1,0,1,0,0|2,0,0]=4 6821 B12R1.196 C=CC(C)(C)OCC1CCCC1 7a_100011215311_100000740388 [0,1,0,1,0,0|2,0,0]=4 6822 B12R1.196 C=CC(F)(F)SCC1CCCC1 62a_100000740388_100009814244 [0,1,0,1,0,0|2,0,0]=4 6823 B12R1.196 C=CC(F)(F)SCC1CCCC1 62a_100009814244_100000740388 [0,1,0,1,0,0|2,0,0]=4 6824 B12R1.696 C=CC(F)(F)N1CCCC1CC 269982a_100000754278_100009814244 [0,1,0,1,0,0|2,0,0]=4 6825 B12R1.1161 C=CC(F)(F)N1CCCCCC1 269982a_100000185865_100009814244 [0,1,0,1,0,0|2,0,0]=4 6826 B12R1.26 C=CC(O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000730141 [0,1,0,1,0,0|1,0,0]=3 6827 B12R1.26 C=CC(O)COC1CCC(=O)C1 34a_100012614533_100000730141 [0,1,0,1,0,0|1,0,1]=4 6828 B12R1.26 C=CC(O)COC1CCC(C1)C 34a_100000698185_100000730141 [0,1,0,1,0,0|1,0,0]=3 6829 B12R1.26 C=CC(O)CSC1CCN(C1)C 62a_100000730141_200012183744 [0,1,0,1,0,0|2,0,0]=4 6830 B12R1.26 CCC(C)OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100011215416 [0,1,0,1,0,0|2,0,0]=4 6831 B12R1.71 CCCCC1CCC(CC1)OC 34a_200000035503_200000210301 [0,1,0,1,0,0|0,0,2]=4 6832 B12R1.71 CCCCC1CCC(CC1)OC 7a_200000035503_200000210301 [0,1,0,1,0,0|0,0,2]=4 6833 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 34a_200000035503_200025704644 [0,1,0,1,0,0|0,0,2]=4 6834 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 7a_200000035503_200025704644 [0,1,0,1,0,0|0,0,2]=4 6835 B12R1.431 C=CC(O)CNC1CN(C1)CC 2230a_200015199589_100000730141 [0,1,0,1,0,0|2,0,0]=4 6836 B12R1.431 C=CC(O)CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000730141 [0,1,0,1,0,0|2,0,0]=4 6837 B12R1.431 C=CC(O)CSC1CC(C1)CO 62a_100000730141_100009874164 [0,1,0,1,0,0|2,0,0]=4 6838 B12R1.431 C=CC(O)CSC1CC(C1)CO 62a_100009874164_100000730141 [0,1,0,1,0,0|2,0,0]=4 6839 B12R1.908 C=CC(O)CNC(C)C1CCC1 2230a_100016994624_100000730141 [0,1,0,1,0,0|1,0,0]=3 6840 B12R1.908 C=CC(O)CNC(C)C1CCC1 34a_100016994624_100000730141 [0,1,0,1,0,0|1,0,0]=3 6841 B12R1.908 C=CC(O)COC(C)C1CCC1 34a_100000766398_100000730141 [0,1,0,1,0,0|1,0,0]=3 6842 B12R1.908 C=CC(O)COC(C)C1CCC1 7a_100000766398_100000730141 [0,1,0,1,0,0|1,0,0]=3 6843 B12R1.1657 C=CC(C)N1CCCCC(C1)O 269982a_100025706797_100011215867 [0,1,0,1,0,0|2,0,0]=4 6844 B12R1.1677 C=CC(O)CNC1(CCOC1)C 2230a_100000693475_100000730141 [0,1,0,1,0,0|2,0,0]=4 6845 B12R1.1677 C=CC(O)COC1(CCCC1)C 34a_100000751722_100000730141 [0,1,0,1,0,0|1,0,0]=3 6846 B12R1.1677 C=CC(O)COC1(CCCC1)C 7a_100000751722_100000730141 [0,1,0,1,0,0|1,0,0]=3 6847 B12R1.2217 C=CC(O)CN1C(CCC1C)C 2230a_100000687148_100000730141 [0,1,0,1,0,0|1,0,0]=3 6848 B12R1.2217 C=CC(O)CN1C(CCC1C)C 34a_100000687148_100000730141 [0,1,0,1,0,0|1,0,0]=3 6849 B12R1.49 C=CC(C)OC1CCC(CC1)C 34a_100000695699_200011216234 [0,1,0,1,0,0|2,0,0]=4 6850 B12R1.49 C=CC(C)SC1CCC(CC1)C 62a_100011215867_200011216234 [0,1,0,1,0,0|2,0,0]=4 6851 B12R1.49 C=CC(O)CN1CCC(=C)CC1 2230a_100000752442_100000730141 [0,1,0,1,0,0|1,0,1]=4 6852 B12R1.49 C=CC(O)CN1CCC(=C)CC1 34a_100000752442_100000730141 [0,1,0,1,0,0|1,0,1]=4 6853 B12R1.49 C=CC(O)CN1CCC(CC1)C 2230a_100000188429_100000730141 [0,1,0,1,0,0|1,0,0]=3 6854 B12R1.49 C=CC(O)CN1CCC(CC1)C 34a_100000188429_100000730141 [0,1,0,1,0,0|1,0,0]=3 6855 B12R1.49 C=CC(O)CN1CCC(CC1)F 2230a_100015193889_100000730141 [0,1,0,1,0,0|1,0,0]=3 6856 B12R1.49 C=CC(O)CN1CCC(CC1)F 34a_100015193889_100000730141 [0,1,0,1,0,0|1,0,0]=3 6857 B12R1.49 C=CC(O)CN1CCC(CC1)O 2230a_100025773856_100000730141 [0,1,0,1,0,0|1,0,0]=3 6858 B12R1.49 C=CC(O)CN1CCN(CC1)C 2230a_100000188432_100000730141 [0,1,0,1,0,0|2,0,0]=4 6859 B12R1.49 C=CC(O)CN1CCS(=O)CC1 2230a_100000752083_100000730141 [0,1,0,1,0,0|2,0,0]=4 6860 B12R1.61 C=CC(O)CN1CCC(C1)CO 2230a_100000748654_100000730141 [0,1,0,1,0,0|2,0,0]=4 6861 B12R1.61 C=CC(O)CN1CCC(C1)CO 34a_100000748654_100000730141 [0,1,0,1,0,0|2,0,0]=4 6862 B12R1.61 C=CC(O)CN1CC[C@H](C1)OC 2230a_100000766984_100000730141 [0,1,0,1,0,0|2,0,0]=4 6863 B12R1.1658 C=CC(C)N1CCCC(CC1)C 269982a_100025706717_100011215867 [0,1,0,1,0,0|2,0,0]=4 6864 B12R1.1658 C=CC(C)N1CCCC(CC1)O 269982a_100015186869_100011215867 [0,1,0,1,0,0|2,0,0]=4 6865 B12R1.50 C=CC(O)CN1CCCC(C1)F 2230a_100000697950_100000730141 [0,1,0,1,0,0|1,0,0]=3 6866 B12R1.50 C=CC(O)CN1CCCC(C1)F 34a_100000697950_100000730141 [0,1,0,1,0,0|1,0,0]=3 6867 B12R1.50 C=CC(O)CN1CCCC(C1)O 2230a_100000211013_100000730141 [0,1,0,1,0,0|1,0,0]=3 6868 B12R1.50 C=CC(O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000730141 [0,1,0,1,0,0|1,0,0]=3 6869 B12R1.50 C=CC(O)CN1CCC[C@@H](C1)C 34a_100000717927_100000730141 [0,1,0,1,0,0|1,0,0]=3 6870 B12R1.50 C=CC(O)CN1CCOC(C1)C 2230a_100000729577_100000730141 [0,1,0,1,0,0|2,0,0]=4 6871 B12R1.50 C=CC(O)CN1CCOC(C1)C 34a_100000729577_100000730141 [0,1,0,1,0,0|2,0,0]=4 6872 B12R1.50 C=CC(O)CN1CCOC(C1)O 2230a_100000688207_100000730141 [0,1,0,1,0,0|2,0,0]=4 6873 B12R1.105 CC(C)COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210624 [0,1,0,1,0,0|2,0,0]=4 6874 B12R1.105 CC(O)COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100011218427 [0,1,0,1,0,0|2,0,0]=4 6875 B12R1.105 C[C@@H](O)COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100009817552 [0,1,0,1,0,0|2,0,0]=4 6876 B12R1.368 C=CC(C)N1CCCC1C(C)C 269982a_100000762757_100011215867 [0,1,0,1,0,0|2,0,0]=4 6877 B12R1.394 C=CC(O)CNCC1CC(=C)C1 2230a_100102567296_100000730141 [0,1,0,1,0,0|1,0,1]=4 6878 B12R1.394 C=CC(O)CNCC1CC(=C)C1 34a_100102567296_100000730141 [0,1,0,1,0,0|1,0,1]=4 6879 B12R1.394 C=CC(O)CNCC1CC(C1)O 2230a_100016992100_100000730141 [0,1,0,1,0,0|1,0,0]=3 6880 B12R1.394 C=CC(O)COCC1CC(=C)C1 34a_100011011225_100000730141 [0,1,0,1,0,0|1,0,1]=4 6881 B12R1.394 C=CC(O)COCC1CC(=O)C1 34a_100000101936_100000730141 [0,1,0,1,0,0|1,0,1]=4 6882 B12R1.394 C=CC(O)COCC1CC(C1)Cl 34a_100009874164_100000730141 [0,1,0,1,0,0|1,0,0]=3 6883 B12R1.394 C=CC(O)CSCC1CC(=O)C1 62a_100000730141_100009874392 [0,1,0,1,0,0|1,0,1]=4 6884 B12R1.394 C=CC(O)CSCC1CC(=O)C1 62a_100009874392_100000730141 [0,1,0,1,0,0|1,0,1]=4 6885 B12R1.534 C=CC(O)CN1CCCC1(C)C 2230a_100000761399_100000730141 [0,1,0,1,0,0|1,0,0]=3 6886 B12R1.534 C=CC(O)CN1CCCC1(C)C 34a_100000761399_100000730141 [0,1,0,1,0,0|1,0,0]=3 6887 B12R1.534 C=CC(O)CN1CCSC1(C)C 2230a_100011217261_100000730141 [0,1,0,1,0,0|2,0,0]=4 6888 B12R1.534 C=CC(O)CN1CCSC1(C)C 34a_100011217261_100000730141 [0,1,0,1,0,0|2,0,0]=4 6889 B12R1.534 C=CC(O)CN1COCC1(C)C 2230a_100000043020_100000730141 [0,1,0,1,0,0|2,0,0]=4 6890 B12R1.1848 C=CC(O)COCC1CC1(C)C 34a_100000728257_100000730141 [0,1,0,1,0,0|1,0,0]=3 6891 B12R1.1848 C=CC(O)COCC1CC1(C)C 7a_100000728257_100000730141 [0,1,0,1,0,0|1,0,0]=3 6892 B12R1.1848 C=CC(O)COCC1CC1(F)F 34a_100000056500_100000730141 [0,1,0,1,0,0|2,0,0]=4 6893 B12R1.1848 C=CC(O)COCC1CC1(F)F 7a_100000056500_100000730141 [0,1,0,1,0,0|2,0,0]=4 6894 B12R1.1848 C=CC(O)COCC1OC1(C)C 34a_200010283642_100000730141 [0,1,0,1,0,0|2,0,0]=4 6895 B12R1.1848 C=CC(O)COCC1OC1(C)C 7a_200010283642_100000730141 [0,1,0,1,0,0|2,0,0]=4 6896 B12R1.1848 C=CC(O)CSCC1CC1(F)F 62a_100000730141_100009817841 [0,1,0,1,0,0|2,0,0]=4 6897 B12R1.1848 C=CC(O)CSCC1CC1(F)F 62a_100009817841_100000730141 [0,1,0,1,0,0|2,0,0]=4 6898 B12R1.118 C=CC(C=C)OC1CCCCC1 34a_100000033096_100000210327 [0,1,0,1,0,0|2,0,0]=4 6899 B12R1.118 C=CC(CC)OC1CCCCC1 34a_100000766422_100000210327 [0,1,0,1,0,0|2,0,0]=4 6900 B12R1.118 C=CC(CC)OC1CCCCC1 7a_100000766422_100000210327 [0,1,0,1,0,0|2,0,0]=4 6901 B12R1.118 C=C[C@@H](CO)NC1CCCCC1 270004a_100016989147_100000210434 [0,1,0,1,0,0|1,0,0]=3 6902 B12R1.118 C=C[C@@H](CO)NC1CCCCC1 34a_100016989147_100000210327 [0,1,0,1,0,0|1,0,0]=3 6903 B12R1.118 C=C[C@@H](CO)NC1CCCOC1 270004a_100016989147_100000753404 [0,1,0,1,0,0|2,0,0]=4 6904 B12R1.118 C=C[C@@H](CO)NC1CCCOC1 34a_100016989147_100000693364 [0,1,0,1,0,0|2,0,0]=4 6905 B12R1.118 C=C[C@@H](CO)NC1CCCSC1 270004a_100016989147_100000057913 [0,1,0,1,0,0|2,0,0]=4 6906 B12R1.118 C=C[C@@H](CO)NC1CCNCC1 270004a_100016989147_100015192401 [0,1,0,1,0,0|2,0,0]=4 6907 B12R1.118 C=C[C@@H](CO)NC1CCOCC1 270004a_100016989147_100011217826 [0,1,0,1,0,0|2,0,0]=4 6908 B12R1.118 C=C[C@@H](CO)NC1CCSCC1 270004a_100016989147_100000203788 [0,1,0,1,0,0|2,0,0]=4 6909 B12R1.118 C=C[C@@H](CO)NC1CCSCC1 34a_100016989147_100000069128 [0,1,0,1,0,0|2,0,0]=4 6910 B12R1.118 CN[C@H](CO)CC1CCCCC1 2230a_100015184289_200000210301 [0,1,0,1,0,0|1,0,1]=4 6911 B12R1.118 CN[C@H](CO)CC1CCCCC1 34a_100015184289_200000210301 [0,1,0,1,0,0|1,0,1]=4 6912 B12R1.118 [13CH3]N[C@H](CO)CC1CCCCC1 2230a_100015184289_200025704644 [0,1,0,1,0,0|1,0,1]=4 6913 B12R1.118 [13CH3]N[C@H](CO)CC1CCCCC1 34a_100015184289_200025704644 [0,1,0,1,0,0|1,0,1]=4 6914 B12R1.244 C=C[C@@H](CO)NCCCC1CO1 2230a_100016989147_100000733510 [0,1,0,1,0,0|2,0,0]=4 6915 B12R1.244 C=C[C@@H](CO)NCCCC1CO1 34a_100016989147_100000733510 [0,1,0,1,0,0|2,0,0]=4 6916 B12R1.251 C=C[C@@H](CO)NC1CCCC1C 269862a_100016989147_100000752053 [0,1,0,1,0,0|1,0,0]=3 6917 B12R1.251 C=C[C@@H](CO)NC1CCOC1C 270004a_100016989147_100000691750 [0,1,0,1,0,0|2,0,0]=4 6918 B12R1.297 C=CC(C=C)OCC1CCCC1 34a_100000033096_100000740388 [0,1,0,1,0,0|2,0,0]=4 6919 B12R1.297 C=CC(CC)OCC1CCCC1 34a_100000766422_100000740388 [0,1,0,1,0,0|2,0,0]=4 6920 B12R1.297 C=CC(CC)OCC1CCCC1 7a_100000766422_100000740388 [0,1,0,1,0,0|2,0,0]=4 6921 B12R1.297 C=C[C@@H](CO)NCC1CCCC1 2230a_100016989147_100000740388 [0,1,0,1,0,0|1,0,0]=3 6922 B12R1.297 C=C[C@@H](CO)NCC1CCCC1 269862a_100016989147_100000746403 [0,1,0,1,0,0|1,0,0]=3 6923 B12R1.297 C=C[C@@H](CO)NCC1CCCC1 34a_100016989147_100000740388 [0,1,0,1,0,0|1,0,0]=3 6924 B12R1.297 C=C[C@@H](CO)NCC1CCCO1 2230a_100016989147_100000203698 [0,1,0,1,0,0|2,0,0]=4 6925 B12R1.297 C=C[C@@H](CO)NCC1CCOC1 2230a_100016989147_100000702531 [0,1,0,1,0,0|2,0,0]=4 6926 B12R1.297 C=C[C@@H](CO)NCC1CCOC1 34a_100016989147_100011261433 [0,1,0,1,0,0|2,0,0]=4 6927 B12R1.34 C=CC(C)C(=O)C1CCCCC1 1458a_100011216780_100000210327 [0,1,0,1,0,0|1,0,1]=4 6928 B12R1.34 C=CC(C)N(C)C1CCCCC1 269982a_100000207522_100011215867 [0,1,0,1,0,0|2,0,0]=4 6929 B12R1.108 C=CC(C)C(=O)CC1CCCC1 1458a_100011216780_100000740388 [0,1,0,1,0,0|1,0,1]=4 6930 B12R1.108 C=C[C@@H](C)[C@@H](C)OC1CCCC1 34a_100015455354_100000179811 [0,1,0,1,0,0|2,0,0]=4 6931 B12R1.108 C=C[C@@H](C)[C@@H](C)OC1CCCC1 7a_100015455354_100000179811 [0,1,0,1,0,0|2,0,0]=4 6932 B12R1.470 C=C[C@@H](C)[C@@H](C)OCC1CCC1 34a_100015455354_100000763275 [0,1,0,1,0,0|2,0,0]=4 6933 B12R1.470 C=C[C@@H](C)[C@@H](C)OCC1CCC1 7a_100015455354_100000763275 [0,1,0,1,0,0|2,0,0]=4 6934 B12R1.471 C=C[C@@H](C)[C@@H](C)OCCC1CC1 34a_100015455354_100000694398 [0,1,0,1,0,0|2,0,0]=4 6935 B12R1.471 C=C[C@@H](C)[C@@H](C)OCCC1CC1 7a_100015455354_100000764125 [0,1,0,1,0,0|2,0,0]=4 6936 B12R1.15 C=CC(C)CC(=O)C1CCCC1 1458a_100011934298_100000179811 [0,1,0,1,0,0|1,0,1]=4 6937 B12R1.15 C=CC(O)CN(C)C1CCCC1 2230a_100000207505_100000730141 [0,1,0,1,0,0|1,0,0]=3 6938 B12R1.15 C=CC(O)CN(C)C1CCCC1 34a_100000207505_100000730141 [0,1,0,1,0,0|1,0,0]=3 6939 B12R1.15 C=CC(O)CN(C)C1CCOC1 2230a_100016988252_100000730141 [0,1,0,1,0,0|2,0,0]=4 6940 B12R1.15 C=CC(O)CN(C)C1CCOC1 34a_100016988252_100000730141 [0,1,0,1,0,0|2,0,0]=4 6941 B12R1.177 C=CC(O)CN1CC(C1)COC 2230a_100016993750_100000730141 [0,1,0,1,0,0|2,0,0]=4 6942 B12R1.177 C=CC(O)CN1CC(C1)COC 34a_100016993750_100000730141 [0,1,0,1,0,0|2,0,0]=4 6943 B12R1.177 C=CC(O)CN1CC(C1)OCC 34a_100000732654_100000730141 [0,1,0,1,0,0|2,0,0]=4 6944 B12R1.304 C=CC(C)CC(=O)CC1CCC1 1458a_100011934298_100000763275 [0,1,0,1,0,0|1,0,1]=4 6945 B12R1.304 C=CC(O)CN(C)CC1CCC1 2230a_200000750244_100000730141 [0,1,0,1,0,0|1,0,0]=3 6946 B12R1.304 C=CC(O)CN(C)CC1CCC1 34a_200000750244_100000730141 [0,1,0,1,0,0|1,0,0]=3 6947 B12R1.305 C=CC(C)CC(=O)CCC1CC1 1458a_100011934298_100000694398 [0,1,0,1,0,0|1,0,1]=4 6948 B12R1.3441 C=CC(C)N1C(CCCC1C)C 269982a_100000210447_100011215867 [0,1,0,1,0,0|2,0,0]=4 6949 B12R1.1689 C=CC(O)CNCC(O)C1CC1 2230a_100000751198_100000730141 [0,1,0,1,0,0|1,0,0]=3 6950 B12R1.1689 C=CC(O)CNCC(O)C1CC1 34a_100000751198_100000730141 [0,1,0,1,0,0|1,0,0]=3 6951 B12R1.1689 C=CC(O)COCC(=O)C1CC1 34a_100000686663_100000730141 [0,1,0,1,0,0|1,0,1]=4 6952 B12R1.1689 C=CC(O)COC[C@H](N)C1CC1 34a_100020623730_100000730141 [0,1,0,1,0,0|1,0,0]=3 6953 B12R1.1689 C=CC(O)CSCC(=O)C1CC1 62a_100000730141_100000746382 [0,1,0,1,0,0|1,0,1]=4 6954 B12R1.1689 C=CC(O)CSCC(=O)C1CC1 62a_100000746382_100000730141 [0,1,0,1,0,0|1,0,1]=4 6955 B12R1.1849 C=CC(C)COCC1(CCC1)C 34a_100011215527_100000726658 [0,1,0,1,0,0|2,0,0]=4 6956 B12R1.1849 C=CC(C)COCC1(CCC1)C 7a_100011215527_100000726658 [0,1,0,1,0,0|2,0,0]=4 6957 B12R1.1849 C=CC(O)CNCC1(CCC1)C 2230a_100000706607_100000730141 [0,1,0,1,0,0|1,0,0]=3 6958 B12R1.1849 C=CC(O)CNCC1(CCC1)O 2230a_100000752638_100000730141 [0,1,0,1,0,0|1,0,0]=3 6959 B12R1.1849 C=CC(O)CNCC1(COC1)C 2230a_100020631278_100000730141 [0,1,0,1,0,0|2,0,0]=4 6960 B12R1.1849 C=CC(O)CNCC1(COC1)O 2230a_100010264505_100000730141 [0,1,0,1,0,0|2,0,0]=4 6961 B12R1.1849 C=CC(O)COCC1(CSC1)C 34a_100000732658_100000730141 [0,1,0,1,0,0|2,0,0]=4 6962 B12R1.1849 C=CC(O)COCC1(CSC1)C 7a_100000732658_100000730141 [0,1,0,1,0,0|2,0,0]=4 6963 B12R1.1849 C=CC(O)CSCC1(CCC1)C 62a_100000726658_100000730141 [0,1,0,1,0,0|1,0,0]=3 6964 B12R1.1849 C=CC(O)CSCC1(CCC1)C 62a_100000730141_100000726658 [0,1,0,1,0,0|1,0,0]=3 6965 B12R1.1849 C=CC(O)CSCC1(COC1)C 62a_100000730141_100009817586 [0,1,0,1,0,0|2,0,0]=4 6966 B12R1.1849 C=CC(O)CSCC1(COC1)C 62a_100009817586_100000730141 [0,1,0,1,0,0|2,0,0]=4 6967 B12R1.1849 C=C[C@H](N)COCC1(CCC1)C 34a_100016989147_100000726658 [0,1,0,1,0,0|2,0,0]=4 6968 B12R2.186 CNCC1CC2C=CC1CC2 269862a_106832991636_100010619355 [0,0,0,2,0,0|2,0,0]=4 6969 B12R2.2285 C=C1C([C@H]2CC[C@@H]1C2)NCC 269862a_100015525214_200016156988 [0,0,0,2,0,0|2,0,0]=4 6970 B12R2.1596 C=CC(=O)C1CC2CCC1C2 1458a_100000185746_100000727232 [0,0,0,2,0,0|0,0,2]=4 6971 B12R2.1596 C=CC(C)N1CC2CCC1C2 269982a_100000743476_100011215867 [0,0,0,2,0,0|2,0,0]=4 6972 B12R2.2298 N[C@H]1C=C[C@H](C1)COC2CC2 34a_100020646542_100000211595 [0,0,0,2,0,0|2,0,0]=4 6973 B12R2.2336 CCCCN1CC2C=CC1C2 2230a_100000732668_100000210211 [0,0,0,2,0,0|2,0,0]=4 6974 B12R2.2336 CCCCN1CC2C=CC1C2 269982a_100000732668_100000210211 [0,0,0,2,0,0|2,0,0]=4 6975 B12R2.2336 CCCCN1CC2C=CC1C2 34a_100000732668_100000210210 [0,0,0,2,0,0|2,0,0]=4 6976 B12R2.2336 CCCOC1CC2C=CC1C2 34a_100000043678_100000210303 [0,0,0,2,0,0|2,0,0]=4 6977 B12R2.2336 CCNCC1CC2C=CC1C2 2230a_100000189500_100000210202 [0,0,0,2,0,0|2,0,0]=4 6978 B12R2.2336 CCNCC1CC2C=CC1C2 2230a_100015525214_200009814271 [0,0,0,2,0,0|2,0,0]=4 6979 B12R2.2336 CCNCC1CC2C=CC1C2 34a_100000189500_100000210202 [0,0,0,2,0,0|2,0,0]=4 6980 B12R2.2336 CCOCC1CC2C=CC1C2 34a_100011215361_100000210202 [0,0,0,2,0,0|2,0,0]=4 6981 B12R2.2336 CCOCC1CC2C=CC1C2 34a_100121572206_200009814271 [0,0,0,2,0,0|2,0,0]=4 6982 B12R2.2336 CCSCC1CC2C=CC1C2 62a_100000139495_100000210202 [0,0,0,2,0,0|2,0,0]=4 6983 B12R2.2336 CCSCC1CC2C=CC1C2 62a_100000210202_100000139495 [0,0,0,2,0,0|2,0,0]=4 6984 B12R2.1561 C=CC(C)N1C2CCC1CC2 269982a_100000735658_100011215867 [0,0,0,2,0,0|2,0,0]=4 6985 B12R2.1619 C=CC(O)CN1CC2CC2C1 2230a_100000741873_100000730141 [0,0,0,2,0,0|1,0,0]=3 6986 B12R2.1619 C=CC(O)CN1CC2CC2C1 34a_100000741873_100000730141 [0,0,0,2,0,0|1,0,0]=3 6987 B12R2.296 C=CC(C)N1CCCC12CC2 269982a_100020620911_100011215867 [0,0,0,2,0,0|2,0,0]=4