0 B12R1.372 C/C=C/CCOC1CCCC1=O 34a_100016278192_100000709159 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.372 C/C=C/CCOC1CCOC1=O 34a_100016278192_100000211211 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.372 C/C=C/COCC1CCNC1=O 34a_100000133458_100102629194 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.372 C/C=C/CSCN1CCCC1=O 62a_100000026320_100102629194 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.372 C/C=C/CSCN1CCCC1=O 62a_100102629194_100000026320 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.372 CC#CCCOC1CCCC1=O 34a_100000750427_100000709159 [0,0,0,0,0,0|1,0,3]=4 6 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 2230a_100020605311_100015370543 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 269982a_100020605311_100015370543 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 2230a_100015189458_100015370543 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 269982a_100015189458_100015370543 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 34a_100015189458_100015370543 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.372 CC/C=C\CCN1CCSC1C 2230a_200011216479_100015370543 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.372 CC/C=C\CCN1CCSC1C 269982a_200011216479_100015370543 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.372 CC/C=C\CCN1CCSC1C 34a_200011216479_100015370543 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.372 CC/C=C\CNC1CCNC1=O 2230a_100016995588_100103147603 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.372 CC/C=C\CNC1CCNC1=O 34a_100016995588_100103147603 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.372 CC/C=C\CN[C@@H]1CONC1=O 2230a_100000765999_100103147603 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.372 CC/C=C\CN[C@@H]1CONC1=O 34a_100000765999_100103147603 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.372 CC/C=C\CN[C@H]1COC[C@@H]1O 2230a_100015191717_100103147603 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [0,0,0,0,0,0|1,0,0]=1 20 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.372 CC/C=C\COC1CCCC1C 34a_100011216460_100103147603 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.372 CC/C=C\COC1CCCC1C 7a_100011216460_100103147603 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.372 CC/C=C\COC1CCOC1=O 34a_100016268518_100000211211 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.372 CC/C=C\COC1COCC1O 34a_100016268518_200000725654 [0,0,0,0,0,0|2,0,2]=4 25 B12R1.372 CC/C=C\CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100103147603 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.372 CC/C=C\CO[C@H]1CCC[C@@H]1N 34a_100000748460_100103147603 [0,0,0,0,0,0|2,0,1]=3 27 B12R1.372 CC/C=C\CO[C@H]1CCNC1=O 34a_100000688343_100103147603 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.372 CC/C=C\CO[C@H]1CNC[C@H]1C 34a_200015306588_100103147603 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.372 CC/C=C\CO[C@H]1COC[C@@H]1N 34a_100015191717_100103147603 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100000211823_100103147603 [0,0,0,0,0,0|1,0,0]=1 31 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100103147603_100000211823 [0,0,0,0,0,0|1,0,0]=1 32 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100000211211_100103147603 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100103147603_100000211211 [0,0,0,0,0,0|2,0,0]=2 34 B12R1.372 CC/C=C\CSC1COCC1O 62a_100103147603_200000725654 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.372 CC/C=C\CSC1COCC1O 62a_200000725654_100103147603 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_100103147603_200016002552 [0,0,0,0,0,0|1,0,2]=3 37 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_200016002552_100103147603 [0,0,0,0,0,0|1,0,2]=3 38 B12R1.372 CC=CCOCC1CCNC1=O 34a_100000133458_100000070051 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.372 CC=CCSCN1CCCC1=O 62a_100000026320_100000070051 [0,0,0,0,0,0|2,0,2]=4 40 B12R1.372 CC=CCSCN1CCCC1=O 62a_100000070051_100000026320 [0,0,0,0,0,0|2,0,2]=4 41 B12R1.372 CCC#CCNC1CCNC1=O 2230a_100016995588_100009813939 [0,0,0,0,0,0|2,0,2]=4 42 B12R1.372 CCC#CCNC1CCNC1=O 34a_100016995588_100009813939 [0,0,0,0,0,0|2,0,2]=4 43 B12R1.372 CCC#CCOC1CCCC1=O 34a_100000032950_100000709159 [0,0,0,0,0,0|1,0,2]=3 44 B12R1.372 CCC#CCOC1CCCC1=O 34a_200000719330_100009813939 [0,0,0,0,0,0|1,0,2]=3 45 B12R1.372 CCC#CCOC1CCOC1=O 34a_100000032950_100000211211 [0,0,0,0,0,0|2,0,2]=4 46 B12R1.372 CCC#CCO[C@H]1CCNC1=O 34a_100000688343_100009813939 [0,0,0,0,0,0|2,0,2]=4 47 B12R1.372 CCC#CCSC1CCCC1=O 62a_100000211823_100009813939 [0,0,0,0,0,0|1,0,2]=3 48 B12R1.372 CCC#CCSC1CCCC1=O 62a_100009813939_100000211823 [0,0,0,0,0,0|1,0,2]=3 49 B12R1.372 CCC#CCSC1CCOC1=O 62a_100000211211_100009813939 [0,0,0,0,0,0|2,0,2]=4 50 B12R1.372 CCC#CCSC1CCOC1=O 62a_100009813939_100000211211 [0,0,0,0,0,0|2,0,2]=4 51 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,0,0,0,0,0|1,0,2]=3 52 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,0,0,0,0,0|2,0,2]=4 53 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,0,0,0,0,0|2,0,2]=4 54 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,0,0,0,0,0|2,0,2]=4 55 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,0,0,0,0,0|1,0,2]=3 56 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,0,0,0,0,0|1,0,2]=3 57 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,0,0,0,0,0|1,0,2]=3 58 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,0,0,0,0,0|1,0,2]=3 62 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,0,0,0,0,0|1,0,2]=3 63 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,0,0,0,0,0|2,0,2]=4 64 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,0,0,0,0,0|2,0,2]=4 65 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,0,0,0,0,0|2,0,2]=4 66 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,0,0,0,0,0|2,0,2]=4 67 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,0,0,0,0,0|2,0,2]=4 68 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,0,0,0,0,0|2,0,1]=3 69 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.372 CCCOCCC1CCCN1C 34a_100000210258_100000005710 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.372 CCCOCCC1CCCN1C 34a_100011215177_100000210303 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.372 CCCOCCC1CCCN1C 7a_100011215177_100000210303 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,0,0,0,0,0|2,0,1]=3 74 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,0,0,0,0,0|2,0,1]=3 75 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,0,0,0,0,0|2,0,1]=3 76 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.372 CCCSCCC1CCCN1C 62a_100000005710_100000210303 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.372 CCCSCCC1CCCN1C 62a_100000210303_100000005710 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,0,0,0,0,0|2,0,1]=3 81 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,0,0,0,0,0|3,0,1]=4 83 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,0,0,0,0,0|2,0,1]=3 84 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,0,0,0,0,0|2,0,1]=3 85 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,0,0,0,0,0|2,0,1]=3 86 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,0,0,0,0,0|2,0,1]=3 87 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,0,0,0,0,0|2,0,1]=3 88 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,0,0,0,0,0|2,0,1]=3 89 B12R1.372 CCOCCNC1CCNC1=O 2230a_100016995588_100011215890 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.372 CCOCCNC1CCNC1=O 34a_100016995588_100000210147 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,0,0,0,0,0|2,0,1]=3 94 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,0,0,0,0,0|2,0,1]=3 95 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,0,0,0,0,0|2,0,1]=3 96 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,0,0,0,0,0|3,0,1]=4 97 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,0,0,0,0,0|3,0,1]=4 98 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,0,0,0,0,0|3,0,1]=4 99 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,0,0,0,0,0|2,0,1]=3 100 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,0,0,0,0,0|2,0,1]=3 101 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,0,0,0,0,0|3,0,1]=4 102 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,0,0,0,0,0|3,0,1]=4 103 B12R1.372 CCOCSCN1CCCC1=O 62a_100000026320_100000739092 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.372 CCOCSCN1CCCC1=O 62a_100000739092_100000026320 [0,0,0,0,0,0|3,0,1]=4 105 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,0,0,0,0,0|2,0,1]=3 106 B12R1.372 CCSCCNC1CCNC1=O 2230a_100016995588_100000757381 [0,0,0,0,0,0|3,0,1]=4 107 B12R1.372 CCSCCNC1CCNC1=O 34a_100016995588_100000757381 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,0,0,0,0,0|2,0,1]=3 110 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,0,0,0,0,0|2,0,1]=3 111 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,0,0,0,0,0|2,0,1]=3 112 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,0,0,0,0,0|3,0,1]=4 113 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,0,0,0,0,0|3,0,1]=4 114 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,0,0,0,0,0|2,0,1]=3 116 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,0,0,0,0,0|2,0,1]=3 117 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,0,0,0,0,0|3,0,1]=4 118 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,0,0,0,0,0|3,0,1]=4 119 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,0,0,0,0,0|2,0,2]=4 120 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,0,0,0,0,0|2,0,2]=4 121 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,0,0,0,0,0|2,0,2]=4 122 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,0,0,0,0,0|2,0,2]=4 123 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,0,0,0,0,0|2,0,2]=4 124 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,0,0,0,0,0|2,0,2]=4 125 B12R1.372 COCNCCN1CCCC1=O 2230a_100011200922_100000766300 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.372 COCSCCN1CCCC1=O 62a_100000739059_100000766300 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.372 COCSCCN1CCCC1=O 62a_100000766300_100000739059 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,0,0,0,0,0|2,0,2]=4 129 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,0,0,0,0,0|2,0,2]=4 130 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,0,0,0,0,0|2,0,2]=4 131 B12R1.372 CSCNCCN1CCCC1=O 2230a_100011200922_100011218213 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.372 CSCOCCN1CCCC1=O 34a_100000211209_100011218213 [0,0,0,0,0,0|3,0,1]=4 133 B12R1.372 CSCSCCN1CCCC1=O 62a_100000739059_100011218213 [0,0,0,0,0,0|3,0,1]=4 134 B12R1.372 CSCSCCN1CCCC1=O 62a_100011218213_100000739059 [0,0,0,0,0,0|3,0,1]=4 135 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,0,0,0,0,0|2,0,2]=4 136 B12R1.372 NCCOCCN1CCCC1=O 34a_100000210304_100000739059 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,0,0,0,0,0|2,0,2]=4 138 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,0,0,0,0,0|2,0,2]=4 139 B12R1.372 O=C1CCCC1OCC#CCCl 34a_200000047223_100000709159 [0,0,0,0,0,0|2,0,2]=4 140 B12R1.372 O=C1CCCC1OCC#CCO 34a_200000719330_200000047223 [0,0,0,0,0,0|2,0,2]=4 141 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,0,0,0,0,0|2,0,2]=4 142 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,0,0,0,0,0|2,0,2]=4 143 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,0,0,0,0,0|2,0,2]=4 144 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,0,0,0,0,0|2,0,2]=4 145 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,0,0,0,0,0|2,0,2]=4 146 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,0,0,0,0,0|2,0,2]=4 147 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,0,0,0,0,0|2,0,2]=4 148 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,0,0,0,0,0|2,0,2]=4 149 B12R1.372 O=C1CCCC1SCC#CCO 62a_100000211823_200000047223 [0,0,0,0,0,0|2,0,2]=4 150 B12R1.372 O=C1CCCC1SCC#CCO 62a_200000047223_100000211823 [0,0,0,0,0,0|2,0,2]=4 151 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,0,0,0,0,0|2,0,2]=4 152 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,0,0,0,0,0|2,0,2]=4 153 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,0,0,0,0,0|2,0,2]=4 154 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,0,0,0,0,0|2,0,2]=4 155 B12R1.372 O=C1CCCN1CCCNCF 34a_100000210347_100015361967 [0,0,0,0,0,0|3,0,1]=4 156 B12R1.372 O=C1CCCN1CCCOCF 34a_100011216539_100015361967 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.372 O=C1CCCN1CCCOCF 7a_100011216539_100015361967 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.372 O=C1CCCN1CCNCCF 2230a_100011200922_100011217306 [0,0,0,0,0,0|3,0,1]=4 159 B12R1.372 O=C1CCCN1CCNCCF 34a_100000724931_100000739059 [0,0,0,0,0,0|3,0,1]=4 160 B12R1.372 O=C1CCCN1CCNCCO 2230a_100011200922_100000211926 [0,0,0,0,0,0|3,0,1]=4 161 B12R1.372 O=C1CCCN1CCNCCO 2230a_100016997473_100000739059 [0,0,0,0,0,0|3,0,1]=4 162 B12R1.372 O=C1CCCN1CCNCCO 34a_100016990907_100000739059 [0,0,0,0,0,0|3,0,1]=4 163 B12R1.372 O=C1CCCN1CCOCCBr 34a_100000211926_100000739059 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.372 O=C1CCCN1CCOCCF 34a_100000211209_100011217306 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.372 O=C1CCCN1CCOCCF 7a_100000211209_100011217306 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.372 O=C1CCCN1CCOCCO 34a_100000211209_100000211926 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.372 O=C1CCCN1CCOCCO 7a_100000211209_100000211926 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.372 O=C1CCCN1CCSCCF 62a_100000739059_100011217306 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.372 O=C1CCCN1CCSCCF 62a_100011217306_100000739059 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.372 O=C1CCCN1CCSCCO 62a_100000211926_100000739059 [0,0,0,0,0,0|3,0,1]=4 171 B12R1.372 O=C1CCCN1CCSCCO 62a_100000739059_100000211926 [0,0,0,0,0,0|3,0,1]=4 172 B11R1.4 CC/C=C\CCN1CCCC1 2230a_100000188435_100015370543 [1,0,0,0,0,0|1,0,1]=3 173 B11R1.4 CC/C=C\CCN1CCCC1 269982a_100000188435_100015370543 [1,0,0,0,0,0|1,0,1]=3 174 B11R1.4 CC/C=C\CCN1CCSC1 2230a_100011215254_100015370543 [1,0,0,0,0,0|2,0,1]=4 175 B11R1.4 CC/C=C\CCN1CCSC1 269982a_100011215254_100015370543 [1,0,0,0,0,0|2,0,1]=4 176 B11R1.4 CC/C=C\CNC1CCCC1 2230a_100000211070_100103147603 [1,0,0,0,0,0|1,0,1]=3 177 B11R1.4 CC/C=C\CNC1CCCC1 34a_100000211070_100103147603 [1,0,0,0,0,0|1,0,1]=3 178 B11R1.4 CC/C=C\CN[C@@H]1CCOC1 2230a_200015188469_100103147603 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.4 CC/C=C\CN[C@H]1CCOC1 2230a_100015188467_100103147603 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.4 CC/C=C\CN[C@H]1CCOC1 34a_100015188467_100103147603 [1,0,0,0,0,0|2,0,1]=4 181 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [1,0,0,0,0,0|1,0,1]=3 182 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [1,0,0,0,0,0|1,0,1]=3 183 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [1,0,0,0,0,0|1,0,1]=3 184 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.4 CC/C=C\COC1CCOC1 34a_100016268518_100000690089 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.4 CC/C=C\COC1CCSC1 7a_100011232664_100103147603 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.4 CC/C=C\CO[C@H]1CCOC1 34a_100000717292_100103147603 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.4 CC/C=C\CSC1CCCC1 62a_100011217020_100103147603 [1,0,0,0,0,0|1,0,1]=3 189 B11R1.4 CC/C=C\CSC1CCCC1 62a_100103147603_100000179811 [1,0,0,0,0,0|1,0,1]=3 190 B11R1.4 CC/C=C\CSC1CCOC1 62a_100103147603_100000690089 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [1,0,0,0,0,0|1,0,2]=4 192 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [1,0,0,0,0,0|1,0,2]=4 193 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [1,0,0,0,0,0|1,0,2]=4 194 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [1,0,0,0,0,0|1,0,2]=4 195 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [1,0,0,0,0,0|1,0,2]=4 196 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [1,0,0,0,0,0|1,0,2]=4 197 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [1,0,0,0,0,0|1,0,2]=4 198 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [1,0,0,0,0,0|1,0,2]=4 199 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [1,0,0,0,0,0|1,0,2]=4 200 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [1,0,0,0,0,0|1,0,2]=4 201 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [1,0,0,0,0,0|1,0,2]=4 202 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [1,0,0,0,0,0|1,0,2]=4 203 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [1,0,0,0,0,0|1,0,2]=4 204 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [1,0,0,0,0,0|1,0,2]=4 205 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [1,0,0,0,0,0|1,0,2]=4 206 B11R1.180 C/C=C/CNC1CCNC1=O 34a_100016995588_100102629194 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.180 C/C=C/CN[C@@H]1CONC1=O 34a_100000765999_100102629194 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [1,0,0,0,0,0|1,0,0]=2 209 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [1,0,0,0,0,0|1,0,0]=2 210 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.180 C/C=C/COC1CCOC1=O 34a_100016270725_100000211211 [1,0,0,0,0,0|2,0,0]=3 213 B11R1.180 C/C=C/CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100102629194 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.180 C/C=C/CO[C@H]1CCC[C@@H]1N 34a_100000748460_100102629194 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.180 C/C=C/CO[C@H]1CCNC1=O 34a_100000688343_100102629194 [1,0,0,0,0,0|2,0,0]=3 216 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [1,0,0,0,0,0|1,0,0]=2 217 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [1,0,0,0,0,0|1,0,0]=2 218 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100000211211_100102629194 [1,0,0,0,0,0|2,0,0]=3 219 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100102629194_100000211211 [1,0,0,0,0,0|2,0,0]=3 220 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_100102629194_200016002552 [1,0,0,0,0,0|1,0,2]=4 221 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_200016002552_100102629194 [1,0,0,0,0,0|1,0,2]=4 222 B11R1.180 C=CCCNC1CCCC1=O 2230a_100015191253_100000211823 [1,0,0,0,0,0|1,0,2]=4 223 B11R1.180 C=CCCOC1CCCC1=O 34a_100011205117_100000709159 [1,0,0,0,0,0|1,0,2]=4 224 B11R1.180 C=CCCOC1CCCC1=O 34a_200000719330_100000754431 [1,0,0,0,0,0|1,0,2]=4 225 B11R1.180 C=CCCSC1CCCC1=O 62a_100000211823_100000754431 [1,0,0,0,0,0|1,0,2]=4 226 B11R1.180 C=CCCSC1CCCC1=O 62a_100000754431_100000211823 [1,0,0,0,0,0|1,0,2]=4 227 B11R1.180 CC#CCNC1CCCC1=O 2230a_100000685387_100000211823 [1,0,0,0,0,0|1,0,2]=4 228 B11R1.180 CC#CCNC1CCCC1=O 34a_100000685387_100000709159 [1,0,0,0,0,0|1,0,2]=4 229 B11R1.180 CC#CCOC1CCCC1=O 34a_100000761923_100000709159 [1,0,0,0,0,0|1,0,2]=4 230 B11R1.180 CC#CCOC1CCCC1=O 34a_200000719330_100000748600 [1,0,0,0,0,0|1,0,2]=4 231 B11R1.180 CC#CCSC1CCCC1=O 62a_100000211823_100000748600 [1,0,0,0,0,0|1,0,2]=4 232 B11R1.180 CC#CCSC1CCCC1=O 62a_100000748600_100000211823 [1,0,0,0,0,0|1,0,2]=4 233 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 2230a_100020605311_100103147603 [1,0,0,0,0,0|2,0,1]=4 234 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 269982a_100020605311_100103147603 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.180 CC/C=C\CN1CCC[C@H]1C 2230a_100015189458_100103147603 [1,0,0,0,0,0|2,0,1]=4 236 B11R1.180 CC/C=C\CN1CCC[C@H]1C 269982a_100015189458_100103147603 [1,0,0,0,0,0|2,0,1]=4 237 B11R1.180 CC/C=C\CN1CCC[C@H]1C 34a_100015189458_100103147603 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.180 CC=CCNC1CCNC1=O 2230a_100016995588_100000070051 [1,0,0,0,0,0|2,0,0]=3 239 B11R1.180 CC=CCNC1CCNC1=O 34a_100016995588_100000070051 [1,0,0,0,0,0|2,0,0]=3 240 B11R1.180 CC=CCN[C@@H]1CONC1=O 2230a_100000765999_100000070051 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.180 CC=CCN[C@@H]1CONC1=O 34a_100000765999_100000070051 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [1,0,0,0,0,0|1,0,0]=2 243 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.180 CC=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000070051 [1,0,0,0,0,0|2,0,1]=4 246 B11R1.180 CC=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000070051 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.180 CC=CCO[C@H]1CCNC1=O 34a_100000688343_100000070051 [1,0,0,0,0,0|2,0,0]=3 248 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [1,0,0,0,0,0|1,0,0]=2 249 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [1,0,0,0,0,0|1,0,0]=2 250 B11R1.180 CC=CCSC1CCOC1=O 62a_100000070051_100000211211 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.180 CC=CCSC1CCOC1=O 62a_100000211211_100000070051 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_100000070051_200016002552 [1,0,0,0,0,0|1,0,2]=4 253 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000070051 [1,0,0,0,0,0|1,0,2]=4 254 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,0,0,0|1,0,1]=3 255 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,0,0,0|1,0,1]=3 256 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [1,0,0,0,0,0|2,0,1]=4 258 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,0,0,0|2,0,1]=4 259 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,0,0,0|1,0,1]=3 261 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,0,0,0|1,0,1]=3 262 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,0,0,0|1,0,1]=3 263 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,0,0,0|2,0,1]=4 264 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,0,0,0|2,0,1]=4 265 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [1,0,0,0,0,0|2,0,1]=4 266 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,0,0,0|1,0,1]=3 267 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,0,0,0|1,0,1]=3 268 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,0,0,0|2,0,1]=4 269 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,0,0,0|2,0,1]=4 270 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [1,0,0,0,0,0|2,0,1]=4 271 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [1,0,0,0,0,0|2,0,1]=4 272 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [1,0,0,0,0,0|2,0,1]=4 273 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [1,0,0,0,0,0|2,0,0]=3 275 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [1,0,0,0,0,0|2,0,0]=3 276 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [1,0,0,0,0,0|2,0,0]=3 282 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [1,0,0,0,0,0|2,0,0]=3 283 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [1,0,0,0,0,0|2,0,0]=3 284 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [1,0,0,0,0,0|2,0,0]=3 286 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [1,0,0,0,0,0|2,0,0]=3 287 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [1,0,0,0,0,0|2,0,0]=3 292 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [1,0,0,0,0,0|2,0,0]=3 293 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [1,0,0,0,0,0|3,0,0]=4 294 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [1,0,0,0,0,0|2,0,1]=4 297 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [1,0,0,0,0,0|2,0,1]=4 302 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [1,0,0,0,0,0|2,0,1]=4 303 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [1,0,0,0,0,0|2,0,1]=4 304 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [1,0,0,0,0,0|2,0,1]=4 305 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [1,0,0,0,0,0|2,0,1]=4 306 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [1,0,0,0,0,0|2,0,1]=4 307 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [1,0,0,0,0,0|2,0,1]=4 308 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [1,0,0,0,0,0|2,0,1]=4 312 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [1,0,0,0,0,0|2,0,1]=4 313 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [1,0,0,0,0,0|2,0,1]=4 314 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [1,0,0,0,0,0|2,0,1]=4 318 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [1,0,0,0,0,0|2,0,1]=4 319 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [1,0,0,0,0,0|2,0,1]=4 320 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [1,0,0,0,0,0|2,0,1]=4 321 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [1,0,0,0,0,0|2,0,1]=4 322 B11R1.180 O=C1CCCN1CCOCF 34a_100000211209_100015361967 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.180 O=C1CCCN1CCOCF 7a_100000211209_100015361967 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.180 O=C1CCCN1CCSCF 62a_100000739059_100015361967 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.180 O=C1CCCN1CCSCF 62a_100015361967_100000739059 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [1,0,0,0,0,0|2,0,1]=4 327 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [1,0,0,0,0,0|2,0,1]=4 328 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [1,0,0,0,0,0|2,0,1]=4 329 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [1,0,0,0,0,0|2,0,1]=4 330 B13R1.137 CC/C=C\CCN1CCCC1C#N 2230a_100000701862_100015370543 [0,1,0,0,0,0|2,0,1]=4 331 B13R1.137 CC/C=C\CCN1CCCC1CC 2230a_100000754278_100015370543 [0,1,0,0,0,0|2,0,1]=4 332 B13R1.137 CC/C=C\CCN1CCCC1CC 269982a_100000754278_100015370543 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.137 CC/C=C\CCN1CCCC1CC 34a_100000754278_100015370543 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.137 CC/C=C\CCN1CCC[C@@H]1C#N 2230a_106645074975_100015370543 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.137 CC/C=C\CCN1CCC[C@@H]1C#N 269982a_106645074975_100015370543 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 2230a_100000745186_100015370543 [0,1,0,0,0,0|1,0,2]=4 337 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 269982a_100000745186_100015370543 [0,1,0,0,0,0|1,0,2]=4 338 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 34a_100000745186_100015370543 [0,1,0,0,0,0|1,0,2]=4 339 B13R1.137 CC/C=C\CO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100103147603 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.137 CC/C=C\CO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100103147603 [0,1,0,0,0,0|2,0,1]=4 341 B13R1.167 CC(=CCCOC1CCCC1=O)C 34a_200000719330_100011217483 [0,1,0,0,0,0|1,0,2]=4 342 B13R1.167 CC(=CCCSC1CCCC1=O)C 62a_100000211823_100011217483 [0,1,0,0,0,0|1,0,2]=4 343 B13R1.167 CC(=CCCSC1CCCC1=O)C 62a_100011217483_100000211823 [0,1,0,0,0,0|1,0,2]=4 344 B13R1.167 CC(Br)COCCN1CCCC1=O 34a_100012180447_100000739059 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.167 CC(C)CCCNC1CCCC1=O 2230a_200000737386_100000211823 [0,1,0,0,0,0|1,0,2]=4 346 B13R1.167 CC(C)CCCNC1CCCC1=O 34a_200000737386_100000709159 [0,1,0,0,0,0|1,0,2]=4 347 B13R1.167 CC(C)CCCOC1CCCC1=O 34a_100000210774_100000709159 [0,1,0,0,0,0|1,0,2]=4 348 B13R1.167 CC(C)CCCOC1CCCC1=O 34a_200000719330_100011214892 [0,1,0,0,0,0|1,0,2]=4 349 B13R1.167 CC(C)CCCOC1CCCC1=O 7a_100000210774_100000211823 [0,1,0,0,0,0|1,0,2]=4 350 B13R1.167 CC(C)CCCSC1CCCC1=O 62a_100000211823_100011214892 [0,1,0,0,0,0|1,0,2]=4 351 B13R1.167 CC(C)CCCSC1CCCC1=O 62a_100011214892_100000211823 [0,1,0,0,0,0|1,0,2]=4 352 B13R1.167 CC(C)CNCCN1CCCC1=O 2230a_100000210953_100000739059 [0,1,0,0,0,0|2,0,1]=4 353 B13R1.167 CC(C)CNCCN1CCCC1=O 2230a_100011200922_100000210760 [0,1,0,0,0,0|2,0,1]=4 354 B13R1.167 CC(C)CNCCN1CCCC1=O 270004a_100011200922_100000210432 [0,1,0,0,0,0|2,0,1]=4 355 B13R1.167 CC(C)CNCCN1CCCC1=O 34a_100000210953_100000739059 [0,1,0,0,0,0|2,0,1]=4 356 B13R1.167 CC(C)COCCN1CCCC1=O 34a_100000210257_100000739059 [0,1,0,0,0,0|2,0,1]=4 357 B13R1.167 CC(C)COCCN1CCCC1=O 34a_100000211209_100000210624 [0,1,0,0,0,0|2,0,1]=4 358 B13R1.167 CC(C)COCCN1CCCC1=O 7a_100000211209_100000210760 [0,1,0,0,0,0|2,0,1]=4 359 B13R1.167 CC(C)CSCCN1CCCC1=O 62a_100000210624_100000739059 [0,1,0,0,0,0|2,0,1]=4 360 B13R1.167 CC(C)CSCCN1CCCC1=O 62a_100000739059_100000210760 [0,1,0,0,0,0|2,0,1]=4 361 B13R1.167 CC(C)NCCCN1CCCC1=O 2230a_100000210347_100000210206 [0,1,0,0,0,0|2,0,1]=4 362 B13R1.167 CC(C)NCCCN1CCCC1=O 34a_100000210347_100000210206 [0,1,0,0,0,0|2,0,1]=4 363 B13R1.167 CC(C)NCCOC1CCCC1=O 34a_100000224655_100000709159 [0,1,0,0,0,0|2,0,1]=4 364 B13R1.167 CC(C)OCCCN1CCCC1=O 34a_100011216539_100000210206 [0,1,0,0,0,0|2,0,1]=4 365 B13R1.167 CC(C)OCCCN1CCCC1=O 7a_100011216539_100000210206 [0,1,0,0,0,0|2,0,1]=4 366 B13R1.167 CC(C)OCCNC1CCCC1=O 2230a_100000701111_100000211823 [0,1,0,0,0,0|2,0,1]=4 367 B13R1.167 CC(C)OCCNC1CCCC1=O 34a_100000701111_100000709159 [0,1,0,0,0,0|2,0,1]=4 368 B13R1.167 CC(C)OCCOC1CCCC1=O 34a_100000211219_100000709159 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.167 CC(C)OCCOC1CCCC1=O 34a_200000719330_100000211751 [0,1,0,0,0,0|2,0,1]=4 370 B13R1.167 CC(C)OCCOC1CCCC1=O 7a_100000211219_100000211823 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.167 CC(C)OCCSC1CCCC1=O 62a_100000211751_100000211823 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.167 CC(C)OCCSC1CCCC1=O 62a_100000211823_100000211751 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.167 CC(C)SCCNC1CCCC1=O 2230a_100000731138_100000211823 [0,1,0,0,0,0|2,0,1]=4 374 B13R1.167 CC(C)SCCNC1CCCC1=O 34a_100000731138_100000709159 [0,1,0,0,0,0|2,0,1]=4 375 B13R1.167 CC(C)SCCOC1CCCC1=O 34a_200000719330_100000730970 [0,1,0,0,0,0|2,0,1]=4 376 B13R1.167 CC(C)SCCOC1CCCC1=O 34a_200011212901_100000709159 [0,1,0,0,0,0|2,0,1]=4 377 B13R1.167 CC(C)SCCOC1CCCC1=O 7a_200011212901_100000211823 [0,1,0,0,0,0|2,0,1]=4 378 B13R1.167 CC(C)SCCSC1CCCC1=O 62a_100000211823_100000730970 [0,1,0,0,0,0|2,0,1]=4 379 B13R1.167 CC(C)SCCSC1CCCC1=O 62a_100000730970_100000211823 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.167 CC(F)COCCN1CCCC1=O 34a_100015925927_100000739059 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.167 CC(O)CCCOC1CCCC1=O 34a_200000719330_200000718107 [0,1,0,0,0,0|1,0,2]=4 382 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_100000211823_200000718107 [0,1,0,0,0,0|1,0,2]=4 383 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_200000718107_100000211823 [0,1,0,0,0,0|1,0,2]=4 384 B13R1.167 CC(O)CNCCN1CCCC1=O 2230a_100000210904_100000739059 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.167 CC(O)CNCCN1CCCC1=O 2230a_100011200922_100011218427 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.167 CC(O)CNCCN1CCCC1=O 34a_100000210904_100000739059 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.167 CC(O)COCCN1CCCC1=O 34a_100000211209_100011218427 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.167 CC(O)COCCN1CCCC1=O 7a_100000211209_100011218427 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.167 CC(O)CSCCN1CCCC1=O 62a_100000739059_100011218427 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.167 CC(O)CSCCN1CCCC1=O 62a_100011218427_100000739059 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.167 C[C@@H](Cl)COCCN1CCCC1=O 34a_100016084084_100000739059 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.167 C[C@@H](N)COCCN1CCCC1=O 34a_100000737577_100000739059 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.167 C[C@@H](O)CNCCN1CCCC1=O 2230a_100011200922_100009817552 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.167 C[C@@H](O)COCCN1CCCC1=O 34a_100000211209_100009817552 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.167 C[C@@H](O)COCCN1CCCC1=O 7a_100000211209_100009817552 [0,1,0,0,0,0|2,0,1]=4 396 B13R1.167 C[C@@H](O)CSCCN1CCCC1=O 62a_100000739059_100009817552 [0,1,0,0,0,0|2,0,1]=4 397 B13R1.167 C[C@@H](O)CSCCN1CCCC1=O 62a_100009817552_100000739059 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.167 O=C1CCCC1OC/C=C/B(O)O 34a_200000719330_100016262062 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.167 O=C1CCCC1SC/C=C/B(O)O 62a_100000211823_100016262062 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.167 O=C1CCCC1SC/C=C/B(O)O 62a_100016262062_100000211823 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.190 CC/C=C\CNC1CC(=O)NC1=O 2230a_100102712934_100103147603 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.190 CC/C=C\COC1CC(OC1=O)C 34a_100016268518_200000216747 [0,1,0,0,0,0|2,0,0]=3 403 B13R1.190 CC/C=C\CSC1CC(OC1=O)C 62a_100103147603_200000216747 [0,1,0,0,0,0|2,0,0]=3 404 B13R1.190 CC/C=C\CSC1CC(OC1=O)C 62a_200000216747_100103147603 [0,1,0,0,0,0|2,0,0]=3 405 B13R1.193 CC/C=C\CCN1CCCC1(C)C 2230a_100000761399_100015370543 [0,1,0,0,0,0|2,0,1]=4 406 B13R1.193 CC/C=C\CCN1CCCC1(C)C 269982a_100000761399_100015370543 [0,1,0,0,0,0|2,0,1]=4 407 B13R1.193 CC/C=C\CCN1CCCC1(C)C 34a_100000761399_100015370543 [0,1,0,0,0,0|2,0,1]=4 408 B13R1.193 CC/C=C\CNC1CCCC1(F)F 2230a_100000767123_100103147603 [0,1,0,0,0,0|2,0,1]=4 409 B13R1.193 CC/C=C\CNC1CCCC1(F)F 34a_100000767123_100103147603 [0,1,0,0,0,0|2,0,1]=4 410 B13R1.193 CC/C=C\CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100103147603 [0,1,0,0,0,0|1,0,2]=4 411 B13R1.193 CC/C=C\CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100103147603 [0,1,0,0,0,0|1,0,2]=4 412 B13R1.193 CC/C=C\COC1CCCC1(C)C 34a_100000726220_100103147603 [0,1,0,0,0,0|2,0,1]=4 413 B13R1.193 CC/C=C\COC1CCCC1(C)C 7a_100000726220_100103147603 [0,1,0,0,0,0|2,0,1]=4 414 B13R1.193 CC/C=C\COC1CCCC1(F)F 34a_100016268518_100119073726 [0,1,0,0,0,0|2,0,1]=4 415 B13R1.193 CC/C=C\CSC1CCCC1(F)F 62a_100103147603_100119073726 [0,1,0,0,0,0|2,0,1]=4 416 B13R1.193 CC/C=C\CSC1CCCC1(F)F 62a_100119073726_100103147603 [0,1,0,0,0,0|2,0,1]=4 417 B13R1.444 CC#CC(=O)CCN1CCCC1=O 1458a_100000763181_100000742232 [0,1,0,0,0,0|1,0,2]=4 418 B13R1.444 CC=CC(=O)CCC1CCCN1C 1458a_100000210699_100000005710 [0,1,0,0,0,0|2,0,1]=4 419 B13R1.444 CC=CC(=O)CCN1CCCC1=O 1458a_100000210699_100000742232 [0,1,0,0,0,0|1,0,1]=3 420 B13R1.444 CC=CC(=O)CCN1CCNC1=O 1458a_100000210699_100000090651 [0,1,0,0,0,0|2,0,1]=4 421 B13R1.444 CCCC(=O)CCC1CCCN1C 1458a_100000211992_100000005710 [0,1,0,0,0,0|2,0,1]=4 422 B13R1.444 CCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210303 [0,1,0,0,0,0|1,0,1]=3 423 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000211992_100000742232 [0,1,0,0,0,0|1,0,1]=3 424 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210303 [0,1,0,0,0,0|1,0,1]=3 425 B13R1.444 CCCC(=O)CCN1CCNC1=O 1458a_100000211992_100000090651 [0,1,0,0,0,0|2,0,1]=4 426 B13R1.444 CCCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210303 [0,1,0,0,0,0|2,0,1]=4 427 B13R1.444 CCCC(=O)CNC1CCNC1=O 2230a_100016995588_100000747444 [0,1,0,0,0,0|2,0,1]=4 428 B13R1.444 CCCC(=O)CSC1CCCC1=O 62a_100000211823_100000747444 [0,1,0,0,0,0|1,0,1]=3 429 B13R1.444 CCCC(=O)CSC1CCCC1=O 62a_100000747444_100000211823 [0,1,0,0,0,0|1,0,1]=3 430 B13R1.444 CCCC(=O)CSC1CCOC1=O 62a_100000211211_100000747444 [0,1,0,0,0,0|2,0,1]=4 431 B13R1.444 CCCC(=O)CSC1CCOC1=O 62a_100000747444_100000211211 [0,1,0,0,0,0|2,0,1]=4 432 B13R1.444 CCCC(C)COC1CCCC1=O 34a_100000688023_100000709159 [0,1,0,0,0,0|1,0,2]=4 433 B13R1.444 CCCC(C)COC1CCCC1=O 34a_200000719330_100011216630 [0,1,0,0,0,0|1,0,2]=4 434 B13R1.444 CCCC(C)COC1CCCC1=O 7a_100000688023_100000211823 [0,1,0,0,0,0|1,0,2]=4 435 B13R1.444 CCCC(C)CSC1CCCC1=O 62a_100000211823_100011216630 [0,1,0,0,0,0|1,0,2]=4 436 B13R1.444 CCCC(C)CSC1CCCC1=O 62a_100011216630_100000211823 [0,1,0,0,0,0|1,0,2]=4 437 B13R1.444 CCCN(C)CCN1CCCC1=O 2230a_100000747261_100000739059 [0,1,0,0,0,0|2,0,1]=4 438 B13R1.444 CCCN(C)CCN1CCCC1=O 269982a_100000747261_100000739059 [0,1,0,0,0,0|2,0,1]=4 439 B13R1.444 CCC[C@H](N)COC1CCCC1=O 34a_100000732646_100000709159 [0,1,0,0,0,0|1,0,2]=4 440 B13R1.444 CCNC(=O)CCC1CCOC1=O 11a_100015525214_100000117037 [0,1,0,0,0,0|2,0,0]=3 441 B13R1.444 CCNC(=O)CCC1CCOC1=O 240690a_100015525214_100000117037 [0,1,0,0,0,0|2,0,0]=3 442 B13R1.444 CCNC(=O)CCC1CCOC1=O 527a_100015525214_100000117037 [0,1,0,0,0,0|2,0,0]=3 443 B13R1.444 CCNC(=O)CCN1CCCC1=O 11a_100015525214_100000751031 [0,1,0,0,0,0|2,0,0]=3 444 B13R1.444 CCNC(=O)CCN1CCCC1=O 240690a_100015525214_100000751031 [0,1,0,0,0,0|2,0,0]=3 445 B13R1.444 CCNC(=O)CCN1CCCC1=O 527a_100015525214_100000751031 [0,1,0,0,0,0|2,0,0]=3 446 B13R1.444 CCNC(=O)CCN1CCOC1=O 11a_100015525214_100000744634 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.444 CCNC(=O)CCN1CCOC1=O 240690a_100015525214_100000744634 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.444 CCNC(=O)CCN1CCOC1=O 527a_100015525214_100000744634 [0,1,0,0,0,0|3,0,0]=4 449 B13R1.444 CCNC(=O)CNC1CCCC1=O 2230a_100016988866_100000211823 [0,1,0,0,0,0|2,0,0]=3 450 B13R1.444 CCNC(=O)CNC1CCNC1=O 2230a_100016995588_100000183381 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.444 CCNC(=O)CNC1CCNC1=O 34a_100016995588_100000183381 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.444 CCNC(=O)CNC1CCOC1=O 2230a_100016988866_100000211211 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.444 CCNC(=O)COC1CCCC1=O 34a_200000719330_100000183381 [0,1,0,0,0,0|2,0,0]=3 454 B13R1.444 CCNC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000183381 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.444 CCNC(=O)CSC1CCCC1=O 62a_100000183381_100000211823 [0,1,0,0,0,0|2,0,0]=3 456 B13R1.444 CCNC(=O)CSC1CCCC1=O 62a_100000211823_100000183381 [0,1,0,0,0,0|2,0,0]=3 457 B13R1.444 CCNC(=O)CSC1CCOC1=O 62a_100000183381_100000211211 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.444 CCNC(=O)CSC1CCOC1=O 62a_100000211211_100000183381 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.444 CCOC(=O)CNC1CCNC1=O 2230a_100016995588_100000188475 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.444 CCOC(=O)CNC1CCNC1=O 34a_100016995588_100000188475 [0,1,0,0,0,0|3,0,0]=4 461 B13R1.444 CCOC(=O)COC1CCCC1=O 34a_200000719330_100000188475 [0,1,0,0,0,0|2,0,0]=3 462 B13R1.444 CCOC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000188475 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000188475_100000211823 [0,1,0,0,0,0|2,0,0]=3 464 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000211823_100000188475 [0,1,0,0,0,0|2,0,0]=3 465 B13R1.444 CCOC(=O)CSC1CCOC1=O 62a_100000188475_100000211211 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.444 CCOC(=O)CSC1CCOC1=O 62a_100000211211_100000188475 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.444 CNNC(=O)CCC1CCOC1=O 22a_100016993582_100000117037 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.444 CNNC(=O)CCN1CCCC1=O 22a_100016993582_100000751031 [0,1,0,0,0,0|3,0,0]=4 469 B13R1.444 COCC(=O)CCN1CCCC1=O 1458a_100000210968_100000742232 [0,1,0,0,0,0|2,0,1]=4 470 B13R1.444 CSCC(=O)CCN1CCCC1=O 1458a_100000184570_100000742232 [0,1,0,0,0,0|2,0,1]=4 471 B13R1.444 O=C(C=CBr)CCN1CCCC1=O 1458a_100016273825_100000742232 [0,1,0,0,0,0|2,0,1]=4 472 B13R1.444 O=C(C=CCl)CCN1CCCC1=O 1458a_200016279998_100000742232 [0,1,0,0,0,0|2,0,1]=4 473 B13R1.444 O=C(C=CI)CCN1CCCC1=O 1458a_100016256311_100000742232 [0,1,0,0,0,0|2,0,1]=4 474 B13R1.444 O=C(CCF)CCC1CCOC1=O 1458a_100000117037_100011217306 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.444 O=C(CCF)CCN1CCCC1=O 1458a_100000751031_100011217306 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.444 O=C(CCO)CCC1CCOC1=O 1458a_100000117037_100000211926 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.444 O=C(CCO)CCN1CCCC1=O 1458a_100000751031_100000211926 [0,1,0,0,0,0|2,0,1]=4 478 B13R1.444 O=C(CCO)CCN1CCCC1=O 1458a_100011216618_100000742232 [0,1,0,0,0,0|2,0,1]=4 479 B13R1.444 O=C(COC1CCCC1=O)NCO 34a_200000719330_100000185155 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.444 O=C(CSC1CCCC1=O)NCO 62a_100000185155_100000211823 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.444 O=C(CSC1CCCC1=O)NCO 62a_100000211823_100000185155 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.599 C#C/C(=C\COC1CCCC1=O)/C 34a_100016990848_100000709159 [0,1,0,0,0,0|1,0,2]=4 483 B13R1.599 CCC(=O)CSCN1CCCC1=O 62a_100000026320_100000747405 [0,1,0,0,0,0|2,0,1]=4 484 B13R1.599 CCC(=O)CSCN1CCCC1=O 62a_100000747405_100000026320 [0,1,0,0,0,0|2,0,1]=4 485 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.599 CCC(=O)NCCN1CCCC1=O 11a_100011200922_100000210414 [0,1,0,0,0,0|2,0,0]=3 488 B13R1.599 CCC(=O)NCCN1CCCC1=O 1626a_100011200922_100000210414 [0,1,0,0,0,0|2,0,0]=3 489 B13R1.599 CCC(=O)NCCN1CCCC1=O 240690a_100011200922_100000210414 [0,1,0,0,0,0|2,0,0]=3 490 B13R1.599 CCC(=O)NCCN1CCCC1=O 527a_100011200922_100000210414 [0,1,0,0,0,0|2,0,0]=3 491 B13R1.599 CCC(=O)NCCN1CCNC1=O 11a_100011207550_100000210414 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.599 CCC(=O)NCCN1CCNC1=O 1626a_100011207550_100000210414 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.599 CCC(=O)NCCN1CCNC1=O 240690a_100011207550_100000210414 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.599 CCC(=O)NCCN1CCNC1=O 527a_100011207550_100000210414 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.599 CCC(C)CCNC1CCCC1=O 2230a_100020591266_100000211823 [0,1,0,0,0,0|1,0,2]=4 496 B13R1.599 CCC(C)CCOC1CCCC1=O 7a_100011215188_100000211823 [0,1,0,0,0,0|1,0,2]=4 497 B13R1.599 CCC(C)NCCN1CCCC1=O 2230a_100000209981_100000739059 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.599 CCC(C)NCCN1CCCC1=O 2230a_100011200922_100000758301 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.599 CCC(C)OCCN1CCCC1=O 34a_100000211209_100011215416 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.599 CCC(C)OCCN1CCCC1=O 7a_100000210228_100000739059 [0,1,0,0,0,0|2,0,1]=4 501 B13R1.599 CCC(C)OCCN1CCCC1=O 7a_100000211209_100000758301 [0,1,0,0,0,0|2,0,1]=4 502 B13R1.599 CCC(C)SCCN1CCCC1=O 62a_100000739059_100000758301 [0,1,0,0,0,0|2,0,1]=4 503 B13R1.599 CCC(C)SCCN1CCCC1=O 62a_100000758301_100000739059 [0,1,0,0,0,0|2,0,1]=4 504 B13R1.599 CNC(=O)CCNC1CCCC1=O 2230a_100000738227_100000211823 [0,1,0,0,0,0|2,0,1]=4 505 B13R1.599 CNC(=O)CCNC1CCCC1=O 34a_100000738227_100000709159 [0,1,0,0,0,0|2,0,1]=4 506 B13R1.599 CNC(=O)CCOC1CCCC1=O 34a_100000754576_100000709159 [0,1,0,0,0,0|2,0,1]=4 507 B13R1.599 CNC(=O)CCOC1CCCC1=O 34a_200000719330_100012179268 [0,1,0,0,0,0|2,0,1]=4 508 B13R1.599 CNC(=O)CCSC1CCCC1=O 62a_100000211823_100000737683 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.599 CNC(=O)CCSC1CCCC1=O 62a_100000737683_100000211823 [0,1,0,0,0,0|2,0,1]=4 510 B13R1.599 CNC(=O)NCCN1CCCC1=O 2708a_100011200922_106832991635 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.599 CNC(=O)NCCN1CCCC1=O 2708a_100102657272_100011200922 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.599 CNC(=O)NCCN1CCCC1=O 273464a_100011200922_100102657272 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.599 CNC(=O)NCCN1CCCC1=O 273464a_100102657272_100011200922 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.599 CNC(=O)NCCN1CCCC1=O 512a_106832991638_100011200922 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.599 COC(=O)CCOC1CCCC1=O 34a_200000719330_100000742370 [0,1,0,0,0,0|2,0,1]=4 516 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000204255_100000211823 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000211823_100000204255 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.599 COC(=O)OCSC1CCCC1=O 62a_100000211823_100000139417 [0,1,0,0,0,0|3,0,0]=4 519 B13R1.599 O=C(CO)NCCN1CCCC1=O 240690a_100011200922_100000210174 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.599 O=C(CO)NCCN1CCCC1=O 527a_100011200922_100000210174 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.654 C/C=C/C=C/COC1CCCC1=O 34a_100016283227_100000709159 [0,1,0,0,0,0|0,0,2]=3 522 B13R1.654 C/C=C/C=C/COC1CCOC1=O 34a_100016283227_100000211211 [0,1,0,0,0,0|1,0,2]=4 523 B13R1.654 C/C=C/COCCN1CCCC1=O 34a_100000211209_100102629194 [0,1,0,0,0,0|1,0,2]=4 524 B13R1.654 C/C=C/COCCN1CCCC1=O 34a_100016270725_100000739059 [0,1,0,0,0,0|1,0,2]=4 525 B13R1.654 C/C=C/COCCN1CCCC1=O 7a_100000211209_100102629194 [0,1,0,0,0,0|1,0,2]=4 526 B13R1.654 C/C=C/CSCCN1CCCC1=O 62a_100000739059_100102629194 [0,1,0,0,0,0|1,0,2]=4 527 B13R1.654 C/C=C/CSCCN1CCCC1=O 62a_100102629194_100000739059 [0,1,0,0,0,0|1,0,2]=4 528 B13R1.654 CC/C=C\CCNC1CCNC1=O 2230a_100016995588_100015370543 [0,1,0,0,0,0|1,0,0]=2 529 B13R1.654 CC/C=C\CCNC1CCNC1=O 34a_100016995588_100015370543 [0,1,0,0,0,0|1,0,0]=2 530 B13R1.654 CC/C=C\CCN[C@@H]1CONC1=O 2230a_100000765999_100015370543 [0,1,0,0,0,0|2,0,0]=3 531 B13R1.654 CC/C=C\CCN[C@@H]1CONC1=O 34a_100000765999_100015370543 [0,1,0,0,0,0|2,0,0]=3 532 B13R1.654 CC/C=C\CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100015370543 [0,1,0,0,0,0|1,0,2]=4 533 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_100016288707_100000709159 [0,1,0,0,0,0|0,0,0]=1 534 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_200000719330_100015370543 [0,1,0,0,0,0|0,0,0]=1 535 B13R1.654 CC/C=C\CCOC1CCCC1=O 7a_100016288707_100000211823 [0,1,0,0,0,0|0,0,0]=1 536 B13R1.654 CC/C=C\CCOC1CCCC1C 34a_100011216460_100015370543 [0,1,0,0,0,0|1,0,1]=3 537 B13R1.654 CC/C=C\CCOC1CCCC1C 7a_100011216460_100015370543 [0,1,0,0,0,0|1,0,1]=3 538 B13R1.654 CC/C=C\CCOC1CCOC1=O 34a_100016288707_100000211211 [0,1,0,0,0,0|1,0,0]=2 539 B13R1.654 CC/C=C\CCOC1CCOC1=O 7a_100016288707_100000211211 [0,1,0,0,0,0|1,0,0]=2 540 B13R1.654 CC/C=C\CCOC1COCC1O 34a_100016288707_200000725654 [0,1,0,0,0,0|1,0,2]=4 541 B13R1.654 CC/C=C\CCOC1COCC1O 7a_100016288707_200000725654 [0,1,0,0,0,0|1,0,2]=4 542 B13R1.654 CC/C=C\CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015370543 [0,1,0,0,0,0|1,0,1]=3 543 B13R1.654 CC/C=C\CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015370543 [0,1,0,0,0,0|1,0,1]=3 544 B13R1.654 CC/C=C\CCO[C@H]1CCNC1=O 34a_100000688343_100015370543 [0,1,0,0,0,0|1,0,0]=2 545 B13R1.654 CC/C=C\CCO[C@H]1CNC[C@H]1C 34a_200015306588_100015370543 [0,1,0,0,0,0|2,0,1]=4 546 B13R1.654 CC/C=C\CCO[C@H]1COC[C@@H]1N 34a_100015191717_100015370543 [0,1,0,0,0,0|2,0,1]=4 547 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100000211823_100015370543 [0,1,0,0,0,0|0,0,0]=1 548 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100015370543_100000211823 [0,1,0,0,0,0|0,0,0]=1 549 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100000211211_100015370543 [0,1,0,0,0,0|1,0,0]=2 550 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100015370543_100000211211 [0,1,0,0,0,0|1,0,0]=2 551 B13R1.654 CC/C=C\CCSC1COCC1O 62a_100015370543_200000725654 [0,1,0,0,0,0|1,0,2]=4 552 B13R1.654 CC/C=C\CCSC1COCC1O 62a_200000725654_100015370543 [0,1,0,0,0,0|1,0,2]=4 553 B13R1.654 CC/C=C\CCS[C@@H]1CCC[C@H]1O 62a_100015370543_200016002552 [0,1,0,0,0,0|0,0,2]=3 554 B13R1.654 CC/C=C\CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100015370543 [0,1,0,0,0,0|0,0,2]=3 555 B13R1.654 CC/C=C\COCC1=CCCC1=O 34a_100000087531_100103147603 [0,1,0,0,0,0|0,0,2]=3 556 B13R1.654 CC/C=C\COCC1CCCN1C 34a_100000743107_100103147603 [0,1,0,0,0,0|2,0,0]=3 557 B13R1.654 CC/C=C\COCC1CCNC1=O 34a_100000133458_100103147603 [0,1,0,0,0,0|1,0,0]=2 558 B13R1.654 CC/C=C\CSCN1CCCC1=O 62a_100000026320_100103147603 [0,1,0,0,0,0|1,0,0]=2 559 B13R1.654 CC/C=C\CSCN1CCCC1=O 62a_100103147603_100000026320 [0,1,0,0,0,0|1,0,0]=2 560 B13R1.654 CC=C=CCCOC1CCCC1=O 34a_100011020354_100000709159 [0,1,0,0,0,0|0,0,2]=3 561 B13R1.654 CC=C=CCCOC1CCOC1=O 34a_100011020354_100000211211 [0,1,0,0,0,0|1,0,2]=4 562 B13R1.654 CC=CCCCOC1CCCC1=O 34a_100020645299_100000709159 [0,1,0,0,0,0|0,0,2]=3 563 B13R1.654 CC=CCCCOC1CCOC1=O 34a_100020645299_100000211211 [0,1,0,0,0,0|1,0,2]=4 564 B13R1.654 CC=CCNCCN1CCCC1=O 2230a_100011200922_100000070051 [0,1,0,0,0,0|1,0,2]=4 565 B13R1.654 CC=CCOCCN1CCCC1=O 34a_100000211209_100000070051 [0,1,0,0,0,0|1,0,2]=4 566 B13R1.654 CC=CCOCCN1CCCC1=O 7a_100000211209_100000070051 [0,1,0,0,0,0|1,0,2]=4 567 B13R1.654 CC=CCSCCN1CCCC1=O 62a_100000070051_100000739059 [0,1,0,0,0,0|1,0,2]=4 568 B13R1.654 CC=CCSCCN1CCCC1=O 62a_100000739059_100000070051 [0,1,0,0,0,0|1,0,2]=4 569 B13R1.654 CCC#CCCOC1CCCC1=O 34a_100000036655_100000709159 [0,1,0,0,0,0|0,0,2]=3 570 B13R1.654 CCC#CCCOC1CCCC1=O 7a_100000036655_100000211823 [0,1,0,0,0,0|0,0,2]=3 571 B13R1.654 CCC#CCCOC1CCOC1=O 34a_100000036655_100000211211 [0,1,0,0,0,0|1,0,2]=4 572 B13R1.654 CCC#CCCOC1CCOC1=O 7a_100000036655_100000211211 [0,1,0,0,0,0|1,0,2]=4 573 B13R1.654 CCC#CCOCC1CCNC1=O 34a_100000133458_100009813939 [0,1,0,0,0,0|1,0,2]=4 574 B13R1.654 CCC#CCSCN1CCCC1=O 62a_100000026320_100009813939 [0,1,0,0,0,0|1,0,2]=4 575 B13R1.654 CCC#CCSCN1CCCC1=O 62a_100009813939_100000026320 [0,1,0,0,0,0|1,0,2]=4 576 B13R1.654 CCC/C=C/COC1CCCC1=O 34a_100016278788_100000709159 [0,1,0,0,0,0|1,0,0]=2 577 B13R1.654 CCC/C=C/COC1CCCC1=O 7a_100016278788_100000211823 [0,1,0,0,0,0|1,0,0]=2 578 B13R1.654 CCC/C=C/COC1CCOC1=O 34a_100016278788_100000211211 [0,1,0,0,0,0|2,0,0]=3 579 B13R1.654 CCC/C=C/COC1CCOC1=O 7a_100016278788_100000211211 [0,1,0,0,0,0|2,0,0]=3 580 B13R1.654 CCCC#CCOC1CCCC1=O 34a_100000034806_100000709159 [0,1,0,0,0,0|0,0,3]=4 581 B13R1.654 CCCC#CCOC1CCCC1=O 7a_100000034806_100000211823 [0,1,0,0,0,0|0,0,3]=4 582 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,1,0,0,0,0|0,0,2]=3 583 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,1,0,0,0,0|1,0,2]=4 584 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,1,0,0,0,0|1,0,2]=4 585 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,1,0,0,0,0|1,0,2]=4 586 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,0,0,0|0,0,2]=3 587 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,0,0,0|0,0,2]=3 588 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,0,0,0|0,0,2]=3 589 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,1,0,0,0,0|1,0,2]=4 590 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,1,0,0,0,0|1,0,2]=4 591 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,1,0,0,0,0|1,0,2]=4 592 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,1,0,0,0,0|0,0,2]=3 593 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,1,0,0,0,0|0,0,2]=3 594 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,1,0,0,0,0|1,0,2]=4 595 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,1,0,0,0,0|1,0,2]=4 596 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,1,0,0,0,0|1,0,2]=4 597 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [0,1,0,0,0,0|1,0,2]=4 598 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [0,1,0,0,0,0|1,0,2]=4 599 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [0,1,0,0,0,0|1,0,2]=4 600 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [0,1,0,0,0,0|1,0,2]=4 601 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [0,1,0,0,0,0|1,0,2]=4 602 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [0,1,0,0,0,0|1,0,2]=4 603 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [0,1,0,0,0,0|1,0,2]=4 604 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [0,1,0,0,0,0|1,0,2]=4 605 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [0,1,0,0,0,0|1,0,2]=4 606 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [0,1,0,0,0,0|1,0,2]=4 607 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [0,1,0,0,0,0|1,0,2]=4 608 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [0,1,0,0,0,0|1,0,2]=4 609 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [0,1,0,0,0,0|1,0,2]=4 610 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [0,1,0,0,0,0|1,0,2]=4 611 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [0,1,0,0,0,0|1,0,2]=4 612 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [0,1,0,0,0,0|1,0,2]=4 613 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [0,1,0,0,0,0|1,0,2]=4 614 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [0,1,0,0,0,0|1,0,2]=4 615 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [0,1,0,0,0,0|1,0,1]=3 616 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [0,1,0,0,0,0|1,0,1]=3 617 B13R1.654 CCCOCCNC1CCNC1=O 2230a_100016995588_100011215938 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.654 CCCOCCNC1CCNC1=O 34a_100016995588_100011215938 [0,1,0,0,0,0|2,0,1]=4 619 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,1,0,0,0,0|2,0,1]=4 620 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,1,0,0,0,0|2,0,1]=4 621 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,1,0,0,0,0|1,0,1]=3 622 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,1,0,0,0,0|1,0,1]=3 623 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,1,0,0,0,0|1,0,1]=3 624 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,1,0,0,0,0|2,0,1]=4 625 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,1,0,0,0,0|2,0,1]=4 626 B13R1.654 CCCOCCO[C@H]1CCNC1=O 34a_100000688343_100011215938 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [0,1,0,0,0,0|1,0,1]=3 628 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [0,1,0,0,0,0|1,0,1]=3 629 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,1,0,0,0,0|2,0,1]=4 630 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,1,0,0,0,0|2,0,1]=4 631 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [0,1,0,0,0,0|1,0,1]=3 632 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,1,0,0,0,0|2,0,1]=4 633 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,1,0,0,0,0|1,0,1]=3 634 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,1,0,0,0,0|1,0,1]=3 635 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,1,0,0,0,0|2,0,1]=4 636 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,1,0,0,0,0|2,0,1]=4 637 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [0,1,0,0,0,0|1,0,1]=3 638 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [0,1,0,0,0,0|1,0,1]=3 639 B13R1.654 CCOCCCNC1CCNC1=O 2230a_100016995588_100012232248 [0,1,0,0,0,0|2,0,1]=4 640 B13R1.654 CCOCCCNC1CCNC1=O 34a_100016995588_100012232248 [0,1,0,0,0,0|2,0,1]=4 641 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,1,0,0,0,0|2,0,1]=4 643 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,1,0,0,0,0|1,0,1]=3 644 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,1,0,0,0,0|1,0,1]=3 645 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,1,0,0,0,0|1,0,1]=3 646 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,1,0,0,0,0|2,0,1]=4 647 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.654 CCOCCCO[C@H]1CCNC1=O 34a_100000688343_100012232248 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [0,1,0,0,0,0|1,0,1]=3 650 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [0,1,0,0,0,0|1,0,1]=3 651 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.654 CCOCCOCC1CCNC1=O 34a_100000133458_100000210147 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000026320_100011215890 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000210147_100000026320 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739059_100000739092 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739092_100000739059 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,1,0,0,0,0|1,0,1]=3 659 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,1,0,0,0,0|1,0,1]=3 660 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.654 CCSCCOCC1CCNC1=O 34a_100000133458_100000757381 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000026320_100000757381 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000757381_100000026320 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,1,0,0,0,0|1,0,2]=4 666 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,1,0,0,0,0|1,0,2]=4 667 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,1,0,0,0,0|1,0,2]=4 668 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,1,0,0,0,0|1,0,2]=4 669 B13R1.654 COCCNCCN1CCCC1=O 2230a_100000209980_100000739059 [0,1,0,0,0,0|2,0,1]=4 670 B13R1.654 COCCNCCN1CCCC1=O 2230a_100011200922_100011201679 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.654 COCCOCCN1CCCC1=O 34a_100000210237_100000739059 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.654 COCCOCCN1CCCC1=O 34a_100000211209_100011201679 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.654 COCCOCCN1CCCC1=O 7a_100000211209_100000233755 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.654 COCCOCSC1CCCC1=O 62a_100000211823_100000231047 [0,1,0,0,0,0|2,0,1]=4 675 B13R1.654 COCCOCSC1CCCC1=O 62a_100000231047_100000211823 [0,1,0,0,0,0|2,0,1]=4 676 B13R1.654 COCCSCCN1CCCC1=O 62a_100000233755_100000739059 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.654 COCCSCCN1CCCC1=O 62a_100000739059_100000233755 [0,1,0,0,0,0|2,0,1]=4 678 B13R1.654 COCNCCCN1CCCC1=O 2230a_100000210347_100000766300 [0,1,0,0,0,0|2,0,1]=4 679 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,1,0,0,0,0|1,0,2]=4 680 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,1,0,0,0,0|1,0,2]=4 681 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100011200922_100000751147 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100020590264_100000739059 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000211209_100000212216 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000230434_100000739059 [0,1,0,0,0,0|2,0,1]=4 685 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000211209_100000212216 [0,1,0,0,0,0|2,0,1]=4 686 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000230434_100000739059 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000212216_100000739059 [0,1,0,0,0,0|2,0,1]=4 688 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000739059_100000751147 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.654 CSCNCCCN1CCCC1=O 2230a_100000210347_100011218213 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.654 CSCNCCCN1CCCC1=O 34a_100000210347_100011218213 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.654 CSCOCCCN1CCCC1=O 34a_100011216539_100011218213 [0,1,0,0,0,0|2,0,1]=4 692 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,1,0,0,0,0|1,0,2]=4 693 B13R1.654 NCCCOCCN1CCCC1=O 34a_100000182051_100000739059 [0,1,0,0,0,0|2,0,1]=4 694 B13R1.654 NCCOCCOC1CCCC1=O 34a_100000211614_100000709159 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,1,0,0,0,0|1,0,2]=4 696 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,1,0,0,0,0|1,0,2]=4 697 B13R1.654 O=C1CCCC1NCCOCCO 2230a_100000211614_100000211823 [0,1,0,0,0,0|2,0,1]=4 698 B13R1.654 O=C1CCCC1NCCOCCO 34a_100000211614_100000709159 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.654 O=C1CCCC1NCCSCCO 2230a_100011219999_100000211823 [0,1,0,0,0,0|2,0,1]=4 700 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,1,0,0,0,0|1,0,2]=4 701 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,1,0,0,0,0|1,0,2]=4 702 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,1,0,0,0,0|1,0,2]=4 703 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,1,0,0,0,0|1,0,2]=4 704 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,1,0,0,0,0|1,0,2]=4 705 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,1,0,0,0,0|1,0,2]=4 706 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,1,0,0,0,0|1,0,2]=4 707 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,1,0,0,0,0|1,0,2]=4 708 B13R1.654 O=C1CCCC1OCCOCCBr 34a_100000692535_100000709159 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.654 O=C1CCCC1OCCOCCBr 7a_100000692535_100000211823 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.654 O=C1CCCC1OCCOCCCl 34a_100011215305_100000709159 [0,1,0,0,0,0|2,0,1]=4 711 B13R1.654 O=C1CCCC1OCCOCCCl 7a_100011215305_100000211823 [0,1,0,0,0,0|2,0,1]=4 712 B13R1.654 O=C1CCCC1OCCOCCF 34a_200015357709_100000709159 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.654 O=C1CCCC1OCCOCCF 7a_200015357709_100000211823 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.654 O=C1CCCC1OCCOCCI 34a_100012149058_100000709159 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.654 O=C1CCCC1OCCOCCI 7a_100012149058_100000211823 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.654 O=C1CCCC1OCCOCCO 34a_200000719330_100000692535 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,1,0,0,0,0|1,0,2]=4 718 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,1,0,0,0,0|1,0,2]=4 719 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,1,0,0,0,0|1,0,2]=4 720 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,1,0,0,0,0|1,0,2]=4 721 B13R1.654 O=C1CCCC1SCCOCCO 62a_100000211823_100011215305 [0,1,0,0,0,0|2,0,1]=4 722 B13R1.654 O=C1CCCC1SCCOCCO 62a_100011215305_100000211823 [0,1,0,0,0,0|2,0,1]=4 723 B13R1.654 O=C1CCCN1CCCNCCF 2230a_100000210347_100011217306 [0,1,0,0,0,0|2,0,1]=4 724 B13R1.654 O=C1CCCN1CCCNCCF 34a_100000210347_100011217306 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.654 O=C1CCCN1CCCNCCO 2230a_100000210347_100000211926 [0,1,0,0,0,0|2,0,1]=4 726 B13R1.654 O=C1CCCN1CCCNCCO 34a_100000210347_100000211926 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.654 O=C1CCCN1CCCOCCF 34a_100011216539_100011217306 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.654 O=C1CCCN1CCCOCCF 7a_100011216539_100011217306 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.654 O=C1CCCN1CCCOCCO 34a_100011216539_100000211926 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.654 O=C1CCCN1CCCOCCO 7a_100011216539_100000211926 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100011200922_100011934791 [0,1,0,0,0,0|2,0,1]=4 732 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100015189416_100000739059 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.654 O=C1CCCN1CCNCCCF 34a_100015189416_100000739059 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.654 O=C1CCCN1CCNCCCO 2230a_100011200922_100000230001 [0,1,0,0,0,0|2,0,1]=4 735 B13R1.654 O=C1CCCN1CCOCCCBr 34a_100011217188_100000739059 [0,1,0,0,0,0|2,0,1]=4 736 B13R1.654 O=C1CCCN1CCOCCCCl 34a_100000230001_100000739059 [0,1,0,0,0,0|2,0,1]=4 737 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000211209_100011934791 [0,1,0,0,0,0|2,0,1]=4 738 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000759539_100000739059 [0,1,0,0,0,0|2,0,1]=4 739 B13R1.654 O=C1CCCN1CCOCCCF 7a_100000211209_100011934791 [0,1,0,0,0,0|2,0,1]=4 740 B13R1.654 O=C1CCCN1CCOCCCO 34a_100000211209_100000230001 [0,1,0,0,0,0|2,0,1]=4 741 B13R1.654 O=C1CCCN1CCOCCCO 7a_100000211209_100011215043 [0,1,0,0,0,0|2,0,1]=4 742 B13R1.654 O=C1CCCN1CCSCCCF 62a_100000739059_100011934791 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.654 O=C1CCCN1CCSCCCF 62a_100011934791_100000739059 [0,1,0,0,0,0|2,0,1]=4 744 B13R1.654 O=C1CCCN1CCSCCCO 62a_100000739059_100011215043 [0,1,0,0,0,0|2,0,1]=4 745 B13R1.654 O=C1CCCN1CCSCCCO 62a_100011215043_100000739059 [0,1,0,0,0,0|2,0,1]=4 746 B13R1.686 CCC#CC(C)OC1CCCC1=O 34a_100000033903_100000709159 [0,1,0,0,0,0|1,0,2]=4 747 B13R1.686 CCC#CC(C)OC1CCCC1=O 7a_100000033903_100000211823 [0,1,0,0,0,0|1,0,2]=4 748 B13R1.686 CCC=CC(=O)NC1CCNC1=O 11a_100016995588_100000212282 [0,1,0,0,0,0|2,0,1]=4 749 B13R1.686 CCC=CC(=O)NC1CCNC1=O 1626a_100016995588_100000212282 [0,1,0,0,0,0|2,0,1]=4 750 B13R1.686 CCC=CC(=O)NC1CCNC1=O 240690a_100016995588_100000212282 [0,1,0,0,0,0|2,0,1]=4 751 B13R1.686 CCC=CC(=O)NC1CCSC1=O 11a_100000184058_100000212282 [0,1,0,0,0,0|2,0,1]=4 752 B13R1.686 CCC=CC(=O)NC1CCSC1=O 1626a_100000184058_100000212282 [0,1,0,0,0,0|2,0,1]=4 753 B13R1.686 CCC=CC(=O)NC1CCSC1=O 240690a_100000184058_100000212282 [0,1,0,0,0,0|2,0,1]=4 754 B13R1.686 CCCCC(C)NC1CCCC1=O 2230a_100000126638_100000211823 [0,1,0,0,0,0|1,0,2]=4 755 B13R1.686 CCCCC(C)OC1CCCC1=O 34a_100000687866_100000709159 [0,1,0,0,0,0|1,0,2]=4 756 B13R1.686 CCCCC(C)OC1CCCC1=O 34a_200000719330_200011215066 [0,1,0,0,0,0|1,0,2]=4 757 B13R1.686 CCCCC(C)OC1CCCC1=O 7a_100000687866_100000211823 [0,1,0,0,0,0|1,0,2]=4 758 B13R1.686 CCCCC(C)SC1CCCC1=O 62a_100000211823_200011215066 [0,1,0,0,0,0|1,0,2]=4 759 B13R1.686 CCCCC(C)SC1CCCC1=O 62a_200011215066_100000211823 [0,1,0,0,0,0|1,0,2]=4 760 B13R1.686 CCOCC(C)OC1CCCC1=O 34a_100000718985_100000709159 [0,1,0,0,0,0|2,0,1]=4 761 B13R1.686 CCOCC(C)OC1CCCC1=O 7a_100000718985_100000211823 [0,1,0,0,0,0|2,0,1]=4 762 B13R1.725 C/C=C/C=CC(=O)C1CCCC1=O 1458a_100000185730_100000211823 [0,1,0,0,0,0|0,0,3]=4 763 B13R1.725 CC/C=C/CC(=O)C1CCCC1=O 1458a_100016274230_100000211823 [0,1,0,0,0,0|0,0,1]=2 764 B13R1.725 CC/C=C/CC(=O)C1CCOC1=O 1458a_100016274230_100000211211 [0,1,0,0,0,0|1,0,1]=3 765 B13R1.725 CC/C=C\CC(=O)C1CCCC1C 1458a_100000690547_100103147603 [0,1,0,0,0,0|1,0,2]=4 766 B13R1.725 CC/C=C\CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100103147603 [0,1,0,0,0,0|2,0,1]=4 767 B13R1.725 CCCC=CC(=O)C1CCCC1=O 1458a_100000212230_100000211823 [0,1,0,0,0,0|0,0,3]=4 768 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,1,0,0,0,0|0,0,3]=4 769 B13R1.725 CCCCCN(C)C1CCCC1=O 2230a_100000223495_100000211823 [0,1,0,0,0,0|1,0,2]=4 770 B13R1.725 CCCCCN(C)C1CCCC1=O 269982a_100000223495_100000211823 [0,1,0,0,0,0|1,0,2]=4 771 B13R1.725 CCCOCC(=O)C1CCCC1=O 1458a_100000745993_100000211823 [0,1,0,0,0,0|1,0,2]=4 772 B13R1.725 CCCSCC(=O)C1CCCC1=O 1458a_100000217233_100000211823 [0,1,0,0,0,0|1,0,2]=4 773 B13R1.725 CCOC=CC(=O)C1CCCC1=O 1458a_100016266692_100000211823 [0,1,0,0,0,0|1,0,2]=4 774 B13R1.725 CCOCCC(=O)C1CCCC1=O 1458a_100000749530_100000211823 [0,1,0,0,0,0|1,0,2]=4 775 B13R1.725 CCSCCC(=O)C1CCCC1=O 1458a_100000230768_100000211823 [0,1,0,0,0,0|1,0,2]=4 776 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 2230a_100000687148_100015370543 [0,1,0,0,0,0|2,0,1]=4 777 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 269982a_100000687148_100015370543 [0,1,0,0,0,0|2,0,1]=4 778 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 34a_100000687148_100015370543 [0,1,0,0,0,0|2,0,1]=4 779 B13R1.1133 CC/C=C\COC1C(=O)COC1=O 34a_100016268518_100000032967 [0,1,0,0,0,0|2,0,1]=4 780 B13R1.1133 CC/C=C\CSC1C(=O)CCC1=O 62a_100009820769_100103147603 [0,1,0,0,0,0|1,0,1]=3 781 B13R1.1133 CC/C=C\CSC1C(=O)CCC1=O 62a_100103147603_100009820769 [0,1,0,0,0,0|1,0,1]=3 782 B13R1.1133 CC/C=C\CSC1C(=O)COC1=O 62a_100103147603_100000032967 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.3440 CC/C=C\COC1CCN(C1=O)C 34a_100016268518_100000755940 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.3440 CC/C=C\CSC1CCN(C1=O)C 62a_100000755940_100103147603 [0,1,0,0,0,0|2,0,0]=3 785 B13R1.3440 CC/C=C\CSC1CCN(C1=O)C 62a_100103147603_100000755940 [0,1,0,0,0,0|2,0,0]=3 786 B13R1.4964 CC/C=C\CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100103147603 [0,1,0,0,0,0|2,0,1]=4 787 B11R0.3 C#CCCCCNC/C=C\CC 2230a_100000706060_100103147603 [0,0,1,0,0,0|2,0,1]=4 788 B11R0.3 C#CCCCCNC/C=C\CC 34a_100000706060_100103147603 [0,0,1,0,0,0|2,0,1]=4 789 B11R0.3 C#CCCCCOC/C=C\CC 34a_100000766709_100103147603 [0,0,1,0,0,0|2,0,1]=4 790 B11R0.3 C#CCCCCOC/C=C\CC 34a_100016268518_100010269958 [0,0,1,0,0,0|2,0,1]=4 791 B11R0.3 C#CCCCCOC/C=C\CC 7a_100000766709_100103147603 [0,0,1,0,0,0|2,0,1]=4 792 B11R0.3 C#CCCCCSC/C=C\CC 62a_100010269958_100103147603 [0,0,1,0,0,0|2,0,1]=4 793 B11R0.3 C#CCCCCSC/C=C\CC 62a_100103147603_100010269958 [0,0,1,0,0,0|2,0,1]=4 794 B11R0.3 C#CCCCNCC/C=C\CC 34a_100000718082_100015370543 [0,0,1,0,0,0|2,0,1]=4 795 B11R0.3 C#CCCCOCC/C=C\CC 34a_100000215630_100015370543 [0,0,1,0,0,0|2,0,1]=4 796 B11R0.3 C#CCCCOCC/C=C\CC 34a_100016288707_100000695029 [0,0,1,0,0,0|2,0,1]=4 797 B11R0.3 C#CCCCOCC/C=C\CC 7a_100000215630_100015370543 [0,0,1,0,0,0|2,0,1]=4 798 B11R0.3 C#CCCCOCC/C=C\CC 7a_100016288707_100011215417 [0,0,1,0,0,0|2,0,1]=4 799 B11R0.3 C#CCCCSCC/C=C\CC 62a_100011215417_100015370543 [0,0,1,0,0,0|2,0,1]=4 800 B11R0.3 C#CCCCSCC/C=C\CC 62a_100015370543_100011215417 [0,0,1,0,0,0|2,0,1]=4 801 B11R0.3 C#CCCOCCC/C=C/CC 34a_100016287902_100000688953 [0,0,1,0,0,0|2,0,1]=4 802 B11R0.3 C#CCCOCCC/C=C/CC 7a_100016287902_100000688953 [0,0,1,0,0,0|2,0,1]=4 803 B11R0.3 C#CCOCCCC/C=C\CC 34a_100016287862_100000184674 [0,0,1,0,0,0|2,0,1]=4 804 B11R0.3 C#CCOCCCC/C=C\CC 7a_100016287862_100000038162 [0,0,1,0,0,0|2,0,1]=4 805 B11R0.3 C/C=C/CCOCC/C=C\CC 34a_100016278192_100015370543 [0,0,1,0,0,0|2,0,1]=4 806 B11R0.3 C/C=C/COCCC/C=C/CC 34a_100016287902_100102629194 [0,0,1,0,0,0|2,0,1]=4 807 B11R0.3 C/C=C/COCCC/C=C/CC 7a_100016287902_100102629194 [0,0,1,0,0,0|2,0,1]=4 808 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [0,0,1,0,0,0|1,0,2]=4 809 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [0,0,1,0,0,0|1,0,2]=4 810 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,0,1,0,0,0|2,0,1]=4 811 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,0,1,0,0,0|2,0,1]=4 812 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,0,1,0,0,0|2,0,1]=4 813 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,0,1,0,0,0|2,0,1]=4 814 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,0,1,0,0,0|2,0,1]=4 815 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,0,1,0,0,0|2,0,1]=4 816 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,0,1,0,0,0|2,0,1]=4 817 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,0,1,0,0,0|2,0,1]=4 818 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,0,1,0,0,0|2,0,1]=4 819 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,0,1,0,0,0|2,0,1]=4 820 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,0,1,0,0,0|2,0,1]=4 821 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,0,1,0,0,0|2,0,0]=3 822 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,0,1,0,0,0|2,0,0]=3 823 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,0,1,0,0,0|2,0,0]=3 824 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,0,1,0,0,0|2,0,0]=3 825 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,0,1,0,0,0|2,0,0]=3 826 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,0,1,0,0,0|2,0,0]=3 827 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,0,1,0,0,0|2,0,0]=3 828 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,0,1,0,0,0|2,0,0]=3 829 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,0,1,0,0,0|2,0,0]=3 830 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,0,1,0,0,0|2,0,0]=3 831 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,0,1,0,0,0|2,0,0]=3 832 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,0,1,0,0,0|2,0,0]=3 833 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,0,1,0,0,0|2,0,0]=3 834 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,0,1,0,0,0|2,0,0]=3 835 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,0,1,0,0,0|2,0,0]=3 836 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,0,1,0,0,0|2,0,0]=3 837 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,0,1,0,0,0|2,0,0]=3 838 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,0,1,0,0,0|2,0,0]=3 839 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,0,1,0,0,0|2,0,0]=3 840 B11R0.3 C=CCOCCOC/C=C\CC 34a_100000037705_100103147603 [0,0,1,0,0,0|3,0,0]=4 841 B11R0.3 C=CCOCCOC/C=C\CC 7a_100000037705_100103147603 [0,0,1,0,0,0|3,0,0]=4 842 B11R0.3 C=COCCCNC/C=C\CC 2230a_100000210767_100103147603 [0,0,1,0,0,0|3,0,0]=4 843 B11R0.3 C=COCCCNC/C=C\CC 34a_100000210767_100103147603 [0,0,1,0,0,0|3,0,0]=4 844 B11R0.3 C=COCCOCC/C=C\CC 34a_100000033082_100015370543 [0,0,1,0,0,0|3,0,0]=4 845 B11R0.3 C=COCCOCC/C=C\CC 34a_100016288707_100000039644 [0,0,1,0,0,0|3,0,0]=4 846 B11R0.3 C=COCCOCC/C=C\CC 7a_100016288707_100000039644 [0,0,1,0,0,0|3,0,0]=4 847 B11R0.3 C=COCCSCC/C=C\CC 62a_100000039644_100015370543 [0,0,1,0,0,0|3,0,0]=4 848 B11R0.3 C=COCCSCC/C=C\CC 62a_100015370543_100000039644 [0,0,1,0,0,0|3,0,0]=4 849 B11R0.3 CC/C=C/CCCOCCC#N 7a_100016287902_100000184422 [0,0,1,0,0,0|2,0,1]=4 850 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,0,1,0,0,0|2,0,1]=4 851 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,0,1,0,0,0|2,0,1]=4 852 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,0,1,0,0,0|2,0,1]=4 853 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,0,1,0,0,0|2,0,1]=4 854 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,0,1,0,0,0|1,0,2]=4 855 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,0,1,0,0,0|1,0,2]=4 856 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,0,1,0,0,0|3,0,0]=4 857 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,0,1,0,0,0|3,0,0]=4 858 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [0,0,1,0,0,0|3,0,0]=4 859 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [0,0,1,0,0,0|3,0,0]=4 860 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,0,1,0,0,0|2,0,1]=4 861 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,0,1,0,0,0|2,0,1]=4 862 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,0,1,0,0,0|2,0,1]=4 863 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [0,0,1,0,0,0|2,0,1]=4 864 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [0,0,1,0,0,0|2,0,1]=4 865 B11R0.3 CC/C=C\CCCCOCC#N 7a_100016287862_100011215382 [0,0,1,0,0,0|2,0,1]=4 866 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,0,1,0,0,0|1,0,0]=2 867 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,0,1,0,0,0|1,0,0]=2 868 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,0,1,0,0,0|2,0,1]=4 869 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,0,1,0,0,0|2,0,1]=4 870 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [0,0,1,0,0,0|2,0,1]=4 871 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [0,0,1,0,0,0|2,0,1]=4 872 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,0,1,0,0,0|1,0,2]=4 873 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,0,1,0,0,0|1,0,2]=4 874 B11R0.3 CC/C=C\CCCCOCSC 34a_100016287862_100011218213 [0,0,1,0,0,0|3,0,0]=4 875 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,0,1,0,0,0|2,0,1]=4 876 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,0,1,0,0,0|1,0,2]=4 877 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,0,1,0,0,0|1,0,2]=4 878 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [0,0,1,0,0,0|3,0,0]=4 879 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [0,0,1,0,0,0|3,0,0]=4 880 B11R0.3 CC/C=C\CCOCCCC#N 7a_100016288707_100000687738 [0,0,1,0,0,0|2,0,1]=4 881 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,0,1,0,0,0|1,0,0]=2 882 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,0,1,0,0,0|2,0,1]=4 883 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,0,1,0,0,0|2,0,1]=4 884 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,0,1,0,0,0|2,0,1]=4 885 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,0,1,0,0,0|2,0,1]=4 886 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,0,1,0,0,0|2,0,1]=4 887 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,0,1,0,0,0|2,0,1]=4 888 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,0,1,0,0,0|2,0,1]=4 889 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,0,1,0,0,0|2,0,1]=4 890 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,0,1,0,0,0|2,0,1]=4 891 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,0,1,0,0,0|2,0,1]=4 892 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,0,1,0,0,0|2,0,1]=4 893 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,0,1,0,0,0|2,0,1]=4 894 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,0,1,0,0,0|2,0,1]=4 895 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,0,1,0,0,0|1,0,2]=4 896 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,0,1,0,0,0|1,0,2]=4 897 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [0,0,1,0,0,0|3,0,0]=4 898 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [0,0,1,0,0,0|3,0,0]=4 899 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [0,0,1,0,0,0|3,0,0]=4 900 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [0,0,1,0,0,0|3,0,0]=4 901 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [0,0,1,0,0,0|3,0,0]=4 902 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [0,0,1,0,0,0|3,0,0]=4 903 B11R0.3 CC/C=C\CCSCCCC#N 62a_100000687738_100015370543 [0,0,1,0,0,0|2,0,1]=4 904 B11R0.3 CC/C=C\CCSCCCC#N 62a_100015370543_100000687738 [0,0,1,0,0,0|2,0,1]=4 905 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,0,1,0,0,0|1,0,0]=2 906 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,0,1,0,0,0|1,0,0]=2 907 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,0,1,0,0,0|2,0,1]=4 908 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,0,1,0,0,0|2,0,1]=4 909 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,0,1,0,0,0|2,0,1]=4 910 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,0,1,0,0,0|2,0,1]=4 911 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,0,1,0,0,0|1,0,2]=4 912 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,0,1,0,0,0|1,0,2]=4 913 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [0,0,1,0,0,0|3,0,0]=4 914 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [0,0,1,0,0,0|3,0,0]=4 915 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,0,1,0,0,0|2,0,1]=4 916 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,0,1,0,0,0|1,0,2]=4 917 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,0,1,0,0,0|1,0,2]=4 918 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,0,1,0,0,0|2,0,1]=4 919 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,0,1,0,0,0|2,0,1]=4 920 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,0,1,0,0,0|2,0,1]=4 921 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,0,1,0,0,0|2,0,1]=4 922 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,0,1,0,0,0|2,0,1]=4 923 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,0,1,0,0,0|2,0,1]=4 924 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,0,1,0,0,0|2,0,1]=4 925 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,0,1,0,0,0|2,0,1]=4 926 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,0,1,0,0,0|2,0,1]=4 927 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,0,1,0,0,0|2,0,1]=4 928 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,0,1,0,0,0|2,0,1]=4 929 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,0,1,0,0,0|1,0,2]=4 930 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,0,1,0,0,0|3,0,0]=4 931 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,0,1,0,0,0|3,0,0]=4 932 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [0,0,1,0,0,0|3,0,0]=4 933 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [0,0,1,0,0,0|3,0,0]=4 934 B11R0.3 CC/C=C\CSCCCCC#N 62a_100011219923_100103147603 [0,0,1,0,0,0|2,0,1]=4 935 B11R0.3 CC/C=C\CSCCCCC#N 62a_100103147603_100000211819 [0,0,1,0,0,0|2,0,1]=4 936 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,0,1,0,0,0|1,0,0]=2 937 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,0,1,0,0,0|1,0,0]=2 938 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,0,1,0,0,0|2,0,1]=4 939 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,0,1,0,0,0|2,0,1]=4 940 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,0,1,0,0,0|2,0,1]=4 941 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,0,1,0,0,0|2,0,1]=4 942 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,0,1,0,0,0|1,0,2]=4 943 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,0,1,0,0,0|1,0,2]=4 944 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,0,1,0,0,0|3,0,0]=4 945 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,0,1,0,0,0|3,0,0]=4 946 B11R0.3 CC=CCCCOC/C=C\CC 34a_100020645299_100103147603 [0,0,1,0,0,0|2,0,1]=4 947 B11R0.3 CC=CCOCCC/C=C/CC 34a_100016287902_100000070051 [0,0,1,0,0,0|2,0,1]=4 948 B11R0.3 CC=CCOCCC/C=C/CC 7a_100016287902_100000070051 [0,0,1,0,0,0|2,0,1]=4 949 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [0,0,1,0,0,0|1,0,2]=4 950 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [0,0,1,0,0,0|1,0,2]=4 951 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [0,0,1,0,0,0|1,0,2]=4 952 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [0,0,1,0,0,0|1,0,2]=4 953 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [0,0,1,0,0,0|1,0,2]=4 954 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,0,1,0,0,0|1,0,2]=4 955 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,0,1,0,0,0|1,0,2]=4 956 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,0,1,0,0,0|1,0,2]=4 957 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,1,0,0,0|1,0,2]=4 958 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,1,0,0,0|1,0,2]=4 959 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,0,1,0,0,0|1,0,2]=4 960 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,0,1,0,0,0|1,0,2]=4 961 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,0,1,0,0,0|1,0,2]=4 962 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,0,1,0,0,0|1,0,2]=4 963 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,0,1,0,0,0|1,0,2]=4 964 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,0,1,0,0,0|1,0,2]=4 965 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,0,1,0,0,0|1,0,2]=4 966 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,0,1,0,0,0|1,0,2]=4 967 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,0,1,0,0,0|1,0,2]=4 968 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,0,1,0,0,0|1,0,2]=4 969 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,0,1,0,0,0|1,0,2]=4 970 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,0,1,0,0,0|1,0,2]=4 971 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,0,1,0,0,0|1,0,2]=4 972 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,0,1,0,0,0|1,0,2]=4 973 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,0,1,0,0,0|1,0,2]=4 974 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,0,1,0,0,0|2,0,1]=4 975 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,0,1,0,0,0|2,0,1]=4 976 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,0,1,0,0,0|2,0,1]=4 977 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,0,1,0,0,0|2,0,1]=4 978 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,0,1,0,0,0|2,0,1]=4 979 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,0,1,0,0,0|2,0,1]=4 980 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,0,1,0,0,0|2,0,1]=4 981 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,0,1,0,0,0|2,0,1]=4 982 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,0,1,0,0,0|2,0,1]=4 983 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,0,1,0,0,0|2,0,1]=4 984 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,0,1,0,0,0|2,0,1]=4 985 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,0,1,0,0,0|2,0,1]=4 986 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,0,1,0,0,0|2,0,1]=4 987 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,0,1,0,0,0|2,0,1]=4 988 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,0,1,0,0,0|2,0,1]=4 989 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,0,1,0,0,0|2,0,1]=4 990 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,0,1,0,0,0|2,0,1]=4 991 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,0,1,0,0,0|2,0,1]=4 992 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,0,1,0,0,0|2,0,1]=4 993 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,0,1,0,0,0|2,0,1]=4 994 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,0,1,0,0,0|2,0,1]=4 995 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [0,0,1,0,0,0|2,0,1]=4 996 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,0,1,0,0,0|2,0,1]=4 997 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,0,1,0,0,0|2,0,1]=4 998 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,0,1,0,0,0|2,0,1]=4 999 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,0,1,0,0,0|2,0,1]=4 1000 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100000766640_100015370543 [0,0,1,0,0,0|2,0,1]=4 1001 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100015370543_100000766640 [0,0,1,0,0,0|2,0,1]=4 1002 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,0,1,0,0,0|2,0,0]=3 1003 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,0,1,0,0,0|2,0,0]=3 1004 B11R0.4 CC/C=C\COCC(=O)NCO 34a_100016268518_100000185155 [0,0,1,0,0,0|3,0,0]=4 1005 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,0,1,0,0,0|2,0,0]=3 1006 B11R0.4 CC/C=C\COCC(C)CCC 34a_100000688023_100103147603 [0,0,1,0,0,0|2,0,1]=4 1007 B11R0.4 CC/C=C\COCC(C)CCC 34a_100016268518_100011216630 [0,0,1,0,0,0|2,0,1]=4 1008 B11R0.4 CC/C=C\COCC(C)CCC 7a_100000688023_100103147603 [0,0,1,0,0,0|2,0,1]=4 1009 B11R0.4 CC/C=C\COC[C@@H](N)CCC 34a_100000732646_100103147603 [0,0,1,0,0,0|2,0,1]=4 1010 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,0,1,0,0,0|1,0,0]=2 1011 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,0,1,0,0,0|1,0,0]=2 1012 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,0,1,0,0,0|2,0,0]=3 1013 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,0,1,0,0,0|2,0,0]=3 1014 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100000185155_100103147603 [0,0,1,0,0,0|3,0,0]=4 1015 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100103147603_100000185155 [0,0,1,0,0,0|3,0,0]=4 1016 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,0,1,0,0,0|2,0,0]=3 1017 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,0,1,0,0,0|2,0,0]=3 1018 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100011216630_100103147603 [0,0,1,0,0,0|2,0,1]=4 1019 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100103147603_100011216630 [0,0,1,0,0,0|2,0,1]=4 1020 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,0,1,0,0,0|1,0,2]=4 1021 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,0,1,0,0,0|1,0,2]=4 1022 B11R0.4 CCC=CC=NNC(=O)CCC 4a_100000189770_100011216943 [0,0,1,0,0,0|2,0,1]=4 1023 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,0,1,0,0,0|1,0,2]=4 1024 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,0,1,0,0,0|1,0,2]=4 1025 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,0,1,0,0,0|1,0,2]=4 1026 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,0,1,0,0,0|1,0,2]=4 1027 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,0,1,0,0,0|2,0,1]=4 1028 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,0,1,0,0,0|2,0,1]=4 1029 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,0,1,0,0,0|2,0,1]=4 1030 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,0,1,0,0,0|2,0,1]=4 1031 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,0,1,0,0,0|2,0,1]=4 1032 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,0,1,0,0,0|2,0,1]=4 1033 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,0,1,0,0,0|2,0,1]=4 1034 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,0,1,0,0,0|2,0,1]=4 1035 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,0,1,0,0,0|2,0,1]=4 1036 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,0,1,0,0,0|2,0,1]=4 1037 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,0,1,0,0,0|2,0,1]=4 1038 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,0,1,0,0,0|2,0,1]=4 1039 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,0,1,0,0,0|0,0,2]=3 1040 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,0,1,0,0,0|0,0,2]=3 1041 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,0,1,0,0,0|1,0,2]=4 1042 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,0,1,0,0,0|1,0,2]=4 1043 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,0,1,0,0,0|1,0,2]=4 1044 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,0,1,0,0,0|1,0,2]=4 1045 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,0,1,0,0,0|1,0,2]=4 1046 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,0,1,0,0,0|1,0,2]=4 1047 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,0,1,0,0,0|1,0,2]=4 1048 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,0,1,0,0,0|1,0,2]=4 1049 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,0,1,0,0,0|1,0,2]=4 1050 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,0,1,0,0,0|1,0,2]=4 1051 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,0,1,0,0,0|1,0,2]=4 1052 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,0,1,0,0,0|1,0,2]=4 1053 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,0,1,0,0,0|1,0,2]=4 1054 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,0,1,0,0,0|1,0,2]=4 1055 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,0,1,0,0,0|1,0,2]=4 1056 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,0,1,0,0,0|1,0,2]=4 1057 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,0,1,0,0,0|1,0,2]=4 1058 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,0,1,0,0,0|2,0,1]=4 1059 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,0,1,0,0,0|2,0,1]=4 1060 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,0,1,0,0,0|2,0,1]=4 1061 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,0,1,0,0,0|2,0,1]=4 1062 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,0,1,0,0,0|2,0,1]=4 1063 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,0,1,0,0,0|2,0,1]=4 1064 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,0,1,0,0,0|2,0,1]=4 1065 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,0,1,0,0,0|2,0,1]=4 1066 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,0,1,0,0,0|2,0,1]=4 1067 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,0,1,0,0,0|2,0,1]=4 1068 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,0,1,0,0,0|2,0,1]=4 1069 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,0,1,0,0,0|2,0,1]=4 1070 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,0,1,0,0,0|2,0,1]=4 1071 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,0,1,0,0,0|2,0,1]=4 1072 B11R0.76 CC/C=C\CCN(CC)C(C)C 2230a_100000223864_100015370543 [0,0,1,0,0,0|2,0,1]=4 1073 B11R0.76 CC/C=C\CCN(CC)C(C)C 269982a_100000223864_100015370543 [0,0,1,0,0,0|2,0,1]=4 1074 B11R0.76 CC/C=C\CNC(CC)C(=O)N 2230a_100000733705_100103147603 [0,0,1,0,0,0|2,0,0]=3 1075 B11R0.76 CC/C=C\CNC(CC)C(=O)N 34a_100000733705_100103147603 [0,0,1,0,0,0|2,0,0]=3 1076 B11R0.76 CC/C=C\CNC(CO)C(=O)O 269956a_100000187304_100103147603 [0,0,1,0,0,0|3,0,0]=4 1077 B11R0.76 CC/C=C\CN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100103147603 [0,0,1,0,0,0|1,0,2]=4 1078 B11R0.76 CC/C=C\CN[C@@H](CC)[C@@H](C)O 34a_100161114882_100103147603 [0,0,1,0,0,0|1,0,2]=4 1079 B11R0.76 CC/C=C\CN[C@@H](CO)C(=O)N 2230a_100000729942_100103147603 [0,0,1,0,0,0|3,0,0]=4 1080 B11R0.76 CC/C=C\CN[C@@H](CO)C(=O)N 34a_100000729942_100103147603 [0,0,1,0,0,0|3,0,0]=4 1081 B11R0.76 CC/C=C\CN[C@H](CC)C(=O)O 269956a_100000747097_100103147603 [0,0,1,0,0,0|2,0,0]=3 1082 B11R0.76 CC/C=C\COC(CC)C(=O)N 34a_100016268518_100000750255 [0,0,1,0,0,0|2,0,0]=3 1083 B11R0.76 CC/C=C\COC(CC)C(C)C 34a_100011218073_100103147603 [0,0,1,0,0,0|2,0,1]=4 1084 B11R0.76 CC/C=C\COC(CC)C(C)C 7a_100011218073_100103147603 [0,0,1,0,0,0|2,0,1]=4 1085 B11R0.76 CC/C=C\CSC(CC)C(=O)N 62a_100000750255_100103147603 [0,0,1,0,0,0|2,0,0]=3 1086 B11R0.76 CC/C=C\CSC(CC)C(=O)N 62a_100103147603_100000750255 [0,0,1,0,0,0|2,0,0]=3 1087 B11R0.142 CC/C=C\CCC(=O)C(=O)NC 1458a_100011218921_100015370543 [0,0,1,0,0,0|2,0,1]=4 1088 B11R0.142 CC/C=C\CCN(C)C(C)CC 2230a_100000741768_100015370543 [0,0,1,0,0,0|2,0,1]=4 1089 B11R0.142 CC/C=C\CCN(C)C(C)CC 269982a_100000741768_100015370543 [0,0,1,0,0,0|2,0,1]=4 1090 B11R0.142 CC/C=C\CN[C@H](C)C(=O)NC 2230a_100000684985_100103147603 [0,0,1,0,0,0|2,0,0]=3 1091 B11R0.142 CC/C=C\CN[C@H](C)C(=O)NC 34a_100000684985_100103147603 [0,0,1,0,0,0|2,0,0]=3 1092 B11R0.142 CC/C=C\COC(C)C(=O)NC 34a_100016268518_100000731044 [0,0,1,0,0,0|2,0,0]=3 1093 B11R0.142 CC/C=C\COC(C)C(=O)NN 34a_100000725659_100103147603 [0,0,1,0,0,0|3,0,0]=4 1094 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100011215400_100103147603 [0,0,1,0,0,0|2,0,0]=3 1095 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100016268518_100000211248 [0,0,1,0,0,0|2,0,0]=3 1096 B11R0.142 CC/C=C\COC(C)C(C)CC 7a_100011215189_100103147603 [0,0,1,0,0,0|2,0,1]=4 1097 B11R0.142 CC/C=C\COC(F)C(=O)NC 34a_100016268518_100009813575 [0,0,1,0,0,0|3,0,0]=4 1098 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100000742827_100103147603 [0,0,1,0,0,0|1,0,0]=2 1099 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100103147603_100000742827 [0,0,1,0,0,0|1,0,0]=2 1100 B11R0.142 CC/C=C\CSC(C)C(=O)NC 62a_100000209862_100103147603 [0,0,1,0,0,0|2,0,0]=3 1101 B11R0.142 CC/C=C\CSC(C)C(=O)NC 62a_100103147603_100000731044 [0,0,1,0,0,0|2,0,0]=3 1102 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100000211248_100103147603 [0,0,1,0,0,0|2,0,0]=3 1103 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100103147603_100000211248 [0,0,1,0,0,0|2,0,0]=3 1104 B11R0.142 CC/C=C\CSC(F)C(=O)NC 62a_100009813575_100103147603 [0,0,1,0,0,0|3,0,0]=4 1105 B11R0.142 CC/C=C\CSC(F)C(=O)NC 62a_100103147603_100009813575 [0,0,1,0,0,0|3,0,0]=4 1106 B11R0.142 CCC#CCSC(C)C(=O)CC 62a_100000742827_100009813939 [0,0,1,0,0,0|1,0,2]=4 1107 B11R0.142 CCC#CCSC(C)C(=O)CC 62a_100009813939_100000742827 [0,0,1,0,0,0|1,0,2]=4 1108 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,0,1,0,0,0|0,0,2]=3 1109 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,0,1,0,0,0|1,0,2]=4 1110 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,0,1,0,0,0|1,0,2]=4 1111 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,0,1,0,0,0|1,0,2]=4 1112 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,0,1,0,0,0|1,0,2]=4 1113 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,0,1,0,0,0|1,0,2]=4 1114 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,0,1,0,0,0|1,0,2]=4 1115 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,0,1,0,0,0|1,0,2]=4 1116 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,0,1,0,0,0|1,0,2]=4 1117 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,0,1,0,0,0|1,0,2]=4 1118 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,0,1,0,0,0|1,0,2]=4 1119 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,0,1,0,0,0|2,0,1]=4 1120 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,0,1,0,0,0|2,0,1]=4 1121 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,0,1,0,0,0|2,0,1]=4 1122 B11R0.142 CCOCCNC(C)C(=O)CC 2230a_102516460346_100000742827 [0,0,1,0,0,0|2,0,1]=4 1123 B11R0.142 CCOCCOC(C)C(=O)CC 1458a_100000743585_100000210202 [0,0,1,0,0,0|2,0,1]=4 1124 B11R0.142 CCOCCOC(C)C(=O)CC 7a_100000210136_100000742827 [0,0,1,0,0,0|2,0,1]=4 1125 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000210147_100000742827 [0,0,1,0,0,0|2,0,1]=4 1126 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000742827_100011215890 [0,0,1,0,0,0|2,0,1]=4 1127 B11R0.142 CCSCCNC(C)C(=O)CC 2230a_100000106463_100000742827 [0,0,1,0,0,0|2,0,1]=4 1128 B11R0.142 CCSCCOC(C)C(=O)CC 7a_100000212035_100000742827 [0,0,1,0,0,0|2,0,1]=4 1129 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000742827_100000757381 [0,0,1,0,0,0|2,0,1]=4 1130 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000757381_100000742827 [0,0,1,0,0,0|2,0,1]=4 1131 B11R0.161 C#CC(CCC)OC/C=C\CC 34a_200011217317_100103147603 [0,0,1,0,0,0|2,0,1]=4 1132 B11R0.161 C#CC(CCC)OC/C=C\CC 7a_200011217317_100103147603 [0,0,1,0,0,0|2,0,1]=4 1133 B11R0.161 C=CC(CCC)OC/C=C\CC 34a_100011216692_100103147603 [0,0,1,0,0,0|2,0,0]=3 1134 B11R0.161 C=CC(CCC)OC/C=C\CC 7a_100011216692_100103147603 [0,0,1,0,0,0|2,0,0]=3 1135 B11R0.161 CC/C=C\CCN(CC)CCC 2230a_100000226822_100015370543 [0,0,1,0,0,0|2,0,1]=4 1136 B11R0.161 CC/C=C\CCN(CC)CCC 269982a_100000226822_100015370543 [0,0,1,0,0,0|2,0,1]=4 1137 B11R0.161 CC/C=C\CNC(CC)CCC 2230a_100000747048_100103147603 [0,0,1,0,0,0|2,0,1]=4 1138 B11R0.161 CC/C=C\CN[C@H](CO)CCC 2230a_100000732646_100103147603 [0,0,1,0,0,0|1,0,2]=4 1139 B11R0.161 CC/C=C\CN[C@H](CO)CCC 34a_100000732646_100103147603 [0,0,1,0,0,0|1,0,2]=4 1140 B11R0.161 CC/C=C\COC(C#N)CCC 34a_100000686963_100103147603 [0,0,1,0,0,0|2,0,1]=4 1141 B11R0.161 CC/C=C\COC(C#N)CCC 7a_100000686963_100103147603 [0,0,1,0,0,0|2,0,1]=4 1142 B11R0.161 CC/C=C\COC(CC)CCC 34a_100000687864_100103147603 [0,0,1,0,0,0|2,0,1]=4 1143 B11R0.161 CC/C=C\COC(CC)CCC 7a_100000687864_100103147603 [0,0,1,0,0,0|2,0,1]=4 1144 B11R0.161 CC/C=C\CSC(CC)CCC 62a_100011219200_100103147603 [0,0,1,0,0,0|2,0,1]=4 1145 B11R0.161 CC/C=C\CSC(CC)CCC 62a_100103147603_100011219200 [0,0,1,0,0,0|2,0,1]=4 1146 B13R2.15 O=C1CCCC1N2CC=CCC2 2230a_100000698166_100000211823 [0,0,0,1,0,0|1,0,0]=2 1147 B13R2.15 O=C1CCCC1N2CC=CCC2 269982a_100000698166_100000211823 [0,0,0,1,0,0|1,0,0]=2 1148 B13R2.15 O=C1CCCC1N2CC=CCC2 34a_100000698166_100000709159 [0,0,0,1,0,0|1,0,0]=2 1149 B13R2.15 O=C1CCCC1N2CCCOC2 2230a_100000131196_100000211823 [0,0,0,1,0,0|2,0,1]=4 1150 B13R2.15 O=C1CCCC1N2CCCOC2 269982a_100000131196_100000211823 [0,0,0,1,0,0|2,0,1]=4 1151 B13R2.15 O=C1CCCC1N2CCCOC2 34a_100000131196_100000709159 [0,0,0,1,0,0|2,0,1]=4 1152 B13R2.15 O=C1CCCC1N2CCOCC2 2230a_100015191051_100000211823 [0,0,0,1,0,0|2,0,1]=4 1153 B13R2.15 O=C1CCCC1N2CCOCC2 269982a_100015191051_100000211823 [0,0,0,1,0,0|2,0,1]=4 1154 B13R2.15 O=C1CCCC1N2CCOCC2 34a_100015191051_100000709159 [0,0,0,1,0,0|2,0,1]=4 1155 B13R2.15 O=C1CCCC1N2CCSCC2 2230a_100000737611_100000211823 [0,0,0,1,0,0|2,0,1]=4 1156 B13R2.15 O=C1CCCC1N2CCSCC2 269982a_100000737611_100000211823 [0,0,0,1,0,0|2,0,1]=4 1157 B13R2.15 O=C1OCCC1N2CC=CCC2 2230a_100000698166_100000211211 [0,0,0,1,0,0|2,0,0]=3 1158 B13R2.15 O=C1OCCC1N2CC=CCC2 269982a_100000698166_100000211211 [0,0,0,1,0,0|2,0,0]=3 1159 B13R2.15 O=C1OCCC1N2CC=CCC2 34a_100000698166_100000211211 [0,0,0,1,0,0|2,0,0]=3 1160 B13R2.15 O[C@@H]1CCC[C@H]1N2CC=CCC2 269982a_100000698166_200016002552 [0,0,0,1,0,0|1,0,2]=4 1161 B13R2.29 O=C1CCCC1NC2CC=CC2 2230a_100015188752_100000211823 [0,0,0,1,0,0|1,0,2]=4 1162 B13R2.29 O=C1CCCC1NC2CCCC2 2230a_100000211070_100000211823 [0,0,0,1,0,0|1,0,2]=4 1163 B13R2.29 O=C1CCCC1NC2CCCC2 34a_100000211070_100000709159 [0,0,0,1,0,0|1,0,2]=4 1164 B13R2.29 O=C1CCCC1N[C@@H]2CCOC2 2230a_200015188469_100000211823 [0,0,0,1,0,0|2,0,1]=4 1165 B13R2.29 O=C1CCCC1N[C@H]2CCOC2 2230a_100015188467_100000211823 [0,0,0,1,0,0|2,0,1]=4 1166 B13R2.29 O=C1CCCC1N[C@H]2CCOC2 34a_100015188467_100000709159 [0,0,0,1,0,0|2,0,1]=4 1167 B13R2.29 O=C1CCCC1OC2CCCC2 34a_100000210269_100000709159 [0,0,0,1,0,0|1,0,2]=4 1168 B13R2.29 O=C1CCCC1OC2CCCC2 34a_200000719330_100000179811 [0,0,0,1,0,0|1,0,2]=4 1169 B13R2.29 O=C1CCCC1OC2CCCC2 7a_100000210269_100000211823 [0,0,0,1,0,0|1,0,2]=4 1170 B13R2.29 O=C1CCCC1OC2CCCO2 34a_100000085407_100000709159 [0,0,0,1,0,0|2,0,1]=4 1171 B13R2.29 O=C1CCCC1OC2CCOC2 34a_200000719330_100000690089 [0,0,0,1,0,0|2,0,1]=4 1172 B13R2.29 O=C1CCCC1OC2CCSC2 7a_100011232664_100000211823 [0,0,0,1,0,0|2,0,1]=4 1173 B13R2.29 O=C1CCCC1O[C@H]2CCOC2 34a_100000717292_100000709159 [0,0,0,1,0,0|2,0,1]=4 1174 B13R2.29 O=C1CCCC1SC2CCCC2 62a_100000211823_100000179811 [0,0,0,1,0,0|1,0,2]=4 1175 B13R2.29 O=C1CCCC1SC2CCCC2 62a_100011217020_100000211823 [0,0,0,1,0,0|1,0,2]=4 1176 B13R2.29 O=C1CCCC1SC2CCOC2 62a_100000211823_100000690089 [0,0,0,1,0,0|2,0,1]=4 1177 B13R2.179 CC1CC1COC2CCCC2=O 34a_100000744939_100000709159 [0,0,0,1,0,0|1,0,2]=4 1178 B13R2.179 CC1CC1COC2CCCC2=O 7a_100000744939_100000211823 [0,0,0,1,0,0|1,0,2]=4 1179 B13R2.181 CC1SCCN1C2CCCC2=O 2230a_200011216479_100000211823 [0,0,0,1,0,0|2,0,1]=4 1180 B13R2.181 CC1SCCN1C2CCCC2=O 269982a_200011216479_100000211823 [0,0,0,1,0,0|2,0,1]=4 1181 B13R2.181 CC1SCCN1C2CCCC2=O 34a_200011216479_100000709159 [0,0,0,1,0,0|2,0,1]=4 1182 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 2230a_100015189458_100000211823 [0,0,0,1,0,0|1,0,2]=4 1183 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 269982a_100015189458_100000211823 [0,0,0,1,0,0|1,0,2]=4 1184 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 34a_100015189458_100000709159 [0,0,0,1,0,0|1,0,2]=4 1185 B13R2.181 C[C@H]1CCCN1C2CCCC2=O 2230a_100020605311_100000211823 [0,0,0,1,0,0|1,0,2]=4 1186 B13R2.181 C[C@H]1CCCN1C2CCCC2=O 269982a_100020605311_100000211823 [0,0,0,1,0,0|1,0,2]=4 1187 B13R2.3140 O=C1CCCC1NCCC2CC2 34a_100000764129_100000709159 [0,0,0,1,0,0|1,0,2]=4 1188 B13R2.3140 O=C1CCCC1OCCC2CC2 34a_100000754188_100000709159 [0,0,0,1,0,0|1,0,2]=4 1189 B13R2.3140 O=C1CCCC1OCCC2CC2 34a_200000719330_100000694398 [0,0,0,1,0,0|1,0,2]=4 1190 B13R2.3140 O=C1CCCC1OCCC2CC2 7a_100000754188_100000211823 [0,0,0,1,0,0|1,0,2]=4 1191 B13R2.3140 O=C1CCCC1SCCC2CC2 62a_100000211823_100000764125 [0,0,0,1,0,0|1,0,2]=4 1192 B13R2.3140 O=C1CCCC1SCCC2CC2 62a_100000764125_100000211823 [0,0,0,1,0,0|1,0,2]=4 1193 B13R2.3140 O=C1CCCN1CCNC2CC2 34a_100000212008_100000739059 [0,0,0,1,0,0|2,0,1]=4 1194 B13R2.3140 O=C1CCCN1CCOC2CC2 34a_100000211209_100000211595 [0,0,0,1,0,0|2,0,1]=4 1195 B13R2.3140 O=C1CCCN1CCSC2CC2 62a_100000739059_100000211595 [0,0,0,1,0,0|2,0,1]=4 1196 B13R2.3152 O=C1CCCC1NCC2CCC2 2230a_100000738700_100000211823 [0,0,0,1,0,0|1,0,2]=4 1197 B13R2.3152 O=C1CCCC1NCC2CCC2 34a_100000738700_100000709159 [0,0,0,1,0,0|1,0,2]=4 1198 B13R2.3152 O=C1CCCC1NC[C@@H]2CCO2 2230a_100020831831_100000211823 [0,0,0,1,0,0|2,0,1]=4 1199 B13R2.3152 O=C1CCCC1NC[C@@H]2CCO2 34a_100020831831_100000709159 [0,0,0,1,0,0|2,0,1]=4 1200 B13R2.3152 O=C1CCCC1OCC2CCC2 34a_100000760304_100000709159 [0,0,0,1,0,0|1,0,2]=4 1201 B13R2.3152 O=C1CCCC1OCC2CCC2 34a_200000719330_100000763275 [0,0,0,1,0,0|1,0,2]=4 1202 B13R2.3152 O=C1CCCC1OCC2CCO2 34a_100000039022_100000709159 [0,0,0,1,0,0|2,0,1]=4 1203 B13R2.3152 O=C1CCCC1OCC2CCO2 34a_200000719330_100000103362 [0,0,0,1,0,0|2,0,1]=4 1204 B13R2.3152 O=C1CCCC1SCC2CCC2 62a_100000211823_100000763275 [0,0,0,1,0,0|1,0,2]=4 1205 B13R2.3152 O=C1CCCC1SCC2CCC2 62a_100000763275_100000211823 [0,0,0,1,0,0|1,0,2]=4 1206 B13R2.3152 O=C1CCCC1SCC2CCO2 62a_100000103362_100000211823 [0,0,0,1,0,0|2,0,1]=4 1207 B13R2.3152 O=C1CCCC1SCC2CCO2 62a_100000211823_100000103362 [0,0,0,1,0,0|2,0,1]=4 1208 B13R2.3152 O=C1CCCN1CCN2CCC2 269982a_100000754969_100000739059 [0,0,0,1,0,0|2,0,1]=4 1209 B13R2.3194 CC/C=C\COC1CCC2C1C2 34a_200012295571_100103147603 [0,0,0,1,0,0|2,0,1]=4 1210 B11R1.190 C/C=C/CCOC1CCC1=O 34a_100016278192_100009892977 [0,0,0,0,1,0|1,0,2]=4 1211 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [0,0,0,0,1,0|2,0,1]=4 1212 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [0,0,0,0,1,0|2,0,1]=4 1213 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,0,0,0,1,0|1,0,0]=2 1214 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,0,0,0,1,0|1,0,0]=2 1215 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,0,0,0,1,0|1,0,0]=2 1216 B11R1.190 CCC#CCOC1CCC1=O 34a_100000032950_100009892977 [0,0,0,0,1,0|1,0,2]=4 1217 B11R1.190 CCC#CCSC1CCC1=O 62a_100009813939_100009892977 [0,0,0,0,1,0|1,0,2]=4 1218 B11R1.190 CCC#CCSC1CCC1=O 62a_100009892977_100009813939 [0,0,0,0,1,0|1,0,2]=4 1219 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,0,1,0|1,0,2]=4 1220 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,0,1,0|1,0,2]=4 1221 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,0,1,0|1,0,2]=4 1222 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,0,1,0|1,0,2]=4 1223 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,0,1,0|1,0,1]=3 1224 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,0,1,0|1,0,1]=3 1225 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,0,0,0,1,0|2,0,1]=4 1226 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,0,0,0,1,0|2,0,1]=4 1227 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,0,0,0,1,0|2,0,1]=4 1228 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,0,0,0,1,0|2,0,1]=4 1229 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,0,0,0,1,0|2,0,1]=4 1230 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,0,0,0,1,0|2,0,1]=4 1231 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,0,0,0,1,0|2,0,1]=4 1232 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,0,0,0,1,0|2,0,1]=4 1233 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,0,0,0,1,0|2,0,1]=4 1234 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,0,0,0,1,0|2,0,1]=4 1235 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,0,0,0,1,0|2,0,1]=4 1236 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,0,0,0,1,0|2,0,1]=4 1237 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,0,0,0,1,0|2,0,1]=4 1238 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,0,0,0,1,0|2,0,1]=4 1239 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,0,0,0,1,0|2,0,1]=4 1240 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,0,0,0,1,0|2,0,1]=4 1241 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,0,0,0,1,0|2,0,1]=4 1242 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,0,0,0,1,0|2,0,1]=4 1243 B13R1.6 C/C=C/COCC1CCCC(=O)N1 34a_200000102386_100102629194 [0,0,0,0,0,1|1,0,2]=4 1244 B13R1.6 CC/C=C\CCN1CCC=C(C1)C 2230a_100000725631_100015370543 [0,0,0,0,0,1|2,0,1]=4 1245 B13R1.6 CC/C=C\CCN1CCC=C(C1)C 269982a_100000725631_100015370543 [0,0,0,0,0,1|2,0,1]=4 1246 B13R1.6 CC/C=C\CCN1CCC=C(C1)C 34a_100000725631_100015370543 [0,0,0,0,0,1|2,0,1]=4 1247 B13R1.6 CC/C=C\CCN1CCCC(C1)F 2230a_100000697950_100015370543 [0,0,0,0,0,1|2,0,1]=4 1248 B13R1.6 CC/C=C\CCN1CCCC(C1)F 269982a_100000697950_100015370543 [0,0,0,0,0,1|2,0,1]=4 1249 B13R1.6 CC/C=C\CCN1CCCC(C1)F 34a_100000697950_100015370543 [0,0,0,0,0,1|2,0,1]=4 1250 B13R1.6 CC/C=C\CCN1CCCC(C1)O 2230a_100000211013_100015370543 [0,0,0,0,0,1|1,0,2]=4 1251 B13R1.6 CC/C=C\CCN1CCCC(C1)O 269982a_100000211013_100015370543 [0,0,0,0,0,1|1,0,2]=4 1252 B13R1.6 CC/C=C\CCN1CCC[C@@H](C1)C 2230a_100000717927_100015370543 [0,0,0,0,0,1|2,0,1]=4 1253 B13R1.6 CC/C=C\CCN1CCC[C@@H](C1)C 269982a_100000717927_100015370543 [0,0,0,0,0,1|2,0,1]=4 1254 B13R1.6 CC/C=C\CCN1CCC[C@@H](C1)C 34a_100000717927_100015370543 [0,0,0,0,0,1|2,0,1]=4 1255 B13R1.6 CC/C=C\CCN1CCNC(=O)C1 2230a_100000184651_100015370543 [0,0,0,0,0,1|2,0,0]=3 1256 B13R1.6 CC/C=C\CCN1CCOC(=O)C1 2230a_100000131268_100015370543 [0,0,0,0,0,1|2,0,0]=3 1257 B13R1.6 CC/C=C\CNC1CCCC(C1)C 2230a_100011194320_100103147603 [0,0,0,0,0,1|2,0,1]=4 1258 B13R1.6 CC/C=C\CNC1CCCC(C1)C 34a_100011194320_100103147603 [0,0,0,0,0,1|2,0,1]=4 1259 B13R1.6 CC/C=C\CNC1CCCC(C1)O 2230a_100015190357_100103147603 [0,0,0,0,0,1|1,0,2]=4 1260 B13R1.6 CC/C=C\CNC1CCNC(=O)C1 2230a_100016994916_100103147603 [0,0,0,0,0,1|2,0,0]=3 1261 B13R1.6 CC/C=C\CNC1CCNC(=O)C1 34a_100016994916_100103147603 [0,0,0,0,0,1|2,0,0]=3 1262 B13R1.6 CC/C=C\COC1C=C(CCC1)C 34a_100011218613_100103147603 [0,0,0,0,0,1|2,0,0]=3 1263 B13R1.6 CC/C=C\COC1CCCC(=O)C1 34a_100012613340_100103147603 [0,0,0,0,0,1|1,0,0]=2 1264 B13R1.6 CC/C=C\COC1CCCC(C1)C 34a_100000211399_100103147603 [0,0,0,0,0,1|2,0,1]=4 1265 B13R1.6 CC/C=C\CO[C@@H]1CCNC(=O)C1 34a_100015189427_100103147603 [0,0,0,0,0,1|2,0,0]=3 1266 B13R1.6 CC=CCOCC1CCCC(=O)N1 34a_200000102386_100000070051 [0,0,0,0,0,1|1,0,2]=4 1267 B13R1.6 CCC#CCOC1CCCC(=O)C1 34a_100012613340_100009813939 [0,0,0,0,0,1|1,0,2]=4 1268 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,0,0,0,0,1|1,0,2]=4 1269 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,0,0,0,0,1|1,0,2]=4 1270 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,0,0,0,0,1|2,0,1]=4 1271 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,0,0,0,0,1|2,0,1]=4 1272 B13R1.555 C/C=C/CCOC1CCCCC1=O 34a_100016278192_100000754470 [0,0,0,0,0,1|1,0,2]=4 1273 B13R1.555 C/C=C/CCOC1CCCNC1=O 34a_100016278192_100000687798 [0,0,0,0,0,1|1,0,2]=4 1274 B13R1.555 C/C=C/CCOC1COCCC1=O 34a_100016278192_100012180262 [0,0,0,0,0,1|1,0,2]=4 1275 B13R1.555 C/C=C/COCC1CCCCC1=O 34a_100009861125_100102629194 [0,0,0,0,0,1|1,0,2]=4 1276 B13R1.555 C/C=C/COCC1CCCCC1=O 7a_100009861125_100102629194 [0,0,0,0,0,1|1,0,2]=4 1277 B13R1.555 CC/C=C\CCN1CCCCC1C 2230a_100000211376_100015370543 [0,0,0,0,0,1|2,0,1]=4 1278 B13R1.555 CC/C=C\CCN1CCCCC1C 269982a_100000211376_100015370543 [0,0,0,0,0,1|2,0,1]=4 1279 B13R1.555 CC/C=C\CCN1CCCCC1C 34a_100000211376_100015370543 [0,0,0,0,0,1|2,0,1]=4 1280 B13R1.555 CC/C=C\CCN1CCOC[C@@H]1C 2230a_100009815349_100015370543 [0,0,0,0,0,1|2,0,1]=4 1281 B13R1.555 CC/C=C\CCN1CCOC[C@@H]1C 269982a_100009815349_100015370543 [0,0,0,0,0,1|2,0,1]=4 1282 B13R1.555 CC/C=C\CCN1CCOC[C@@H]1C 34a_100009815349_100015370543 [0,0,0,0,0,1|2,0,1]=4 1283 B13R1.555 CC/C=C\CNC1CCCCC1C 2230a_100000211402_100103147603 [0,0,0,0,0,1|2,0,1]=4 1284 B13R1.555 CC/C=C\CNC1CCCCC1C 34a_100000211402_100103147603 [0,0,0,0,0,1|2,0,1]=4 1285 B13R1.555 CC/C=C\CNC1CCCNC1=O 2230a_100000747585_100103147603 [0,0,0,0,0,1|1,0,0]=2 1286 B13R1.555 CC/C=C\CNC1CCCNC1=O 34a_100000747585_100103147603 [0,0,0,0,0,1|1,0,0]=2 1287 B13R1.555 CC/C=C\CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100103147603 [0,0,0,0,0,1|2,0,1]=4 1288 B13R1.555 CC/C=C\CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100103147603 [0,0,0,0,0,1|2,0,1]=4 1289 B13R1.555 CC/C=C\CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100103147603 [0,0,0,0,0,1|1,0,2]=4 1290 B13R1.555 CC/C=C\CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100103147603 [0,0,0,0,0,1|2,0,1]=4 1291 B13R1.555 CC/C=C\CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100103147603 [0,0,0,0,0,1|2,0,1]=4 1292 B13R1.555 CC/C=C\CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100103147603 [0,0,0,0,0,1|1,0,2]=4 1293 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100011214950_100103147603 [0,0,0,0,0,1|1,0,0]=2 1294 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100016268518_100000754470 [0,0,0,0,0,1|1,0,0]=2 1295 B13R1.555 CC/C=C\COC1CCCCC1C 34a_100000211207_100103147603 [0,0,0,0,0,1|2,0,1]=4 1296 B13R1.555 CC/C=C\COC1CCCCC1C 7a_100000211207_100103147603 [0,0,0,0,0,1|2,0,1]=4 1297 B13R1.555 CC/C=C\COC1CCCCC1Cl 34a_100000038908_100103147603 [0,0,0,0,0,1|2,0,1]=4 1298 B13R1.555 CC/C=C\COC1CCCCC1Cl 7a_100000038908_100103147603 [0,0,0,0,0,1|2,0,1]=4 1299 B13R1.555 CC/C=C\COC1CCCCC1F 34a_100016268518_100015423560 [0,0,0,0,0,1|2,0,1]=4 1300 B13R1.555 CC/C=C\COC1CCCCC1O 34a_100016268518_100000038908 [0,0,0,0,0,1|1,0,2]=4 1301 B13R1.555 CC/C=C\COC1CCCNC1=O 34a_100000073722_100103147603 [0,0,0,0,0,1|1,0,0]=2 1302 B13R1.555 CC/C=C\COC1CCCNC1=O 34a_100016268518_100000687798 [0,0,0,0,0,1|1,0,0]=2 1303 B13R1.555 CC/C=C\COC1CCNCC1C 34a_100011998114_100103147603 [0,0,0,0,0,1|2,0,1]=4 1304 B13R1.555 CC/C=C\COC1CNCCC1C 34a_100000696640_100103147603 [0,0,0,0,0,1|2,0,1]=4 1305 B13R1.555 CC/C=C\COC1COCCC1=O 34a_100016268518_100012180262 [0,0,0,0,0,1|1,0,0]=2 1306 B13R1.555 CC/C=C\CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100103147603 [0,0,0,0,0,1|2,0,1]=4 1307 B13R1.555 CC/C=C\CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100103147603 [0,0,0,0,0,1|2,0,1]=4 1308 B13R1.555 CC/C=C\CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100103147603 [0,0,0,0,0,1|2,0,1]=4 1309 B13R1.555 CC/C=C\CO[C@H]1CCCC[C@H]1N 34a_100015191688_100103147603 [0,0,0,0,0,1|2,0,1]=4 1310 B13R1.555 CC/C=C\CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100103147603 [0,0,0,0,0,1|2,0,1]=4 1311 B13R1.555 CC/C=C\CO[C@H]1COCC[C@H]1N 34a_100016994285_100103147603 [0,0,0,0,0,1|2,0,1]=4 1312 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100000204591_100103147603 [0,0,0,0,0,1|1,0,0]=2 1313 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100103147603_100000204591 [0,0,0,0,0,1|1,0,0]=2 1314 B13R1.555 CC/C=C\CSC1CCCCC1F 62a_100015423560_100103147603 [0,0,0,0,0,1|2,0,1]=4 1315 B13R1.555 CC/C=C\CSC1CCCCC1F 62a_100103147603_100015423560 [0,0,0,0,0,1|2,0,1]=4 1316 B13R1.555 CC/C=C\CSC1CCCCC1O 62a_100000038908_100103147603 [0,0,0,0,0,1|1,0,2]=4 1317 B13R1.555 CC/C=C\CSC1CCCCC1O 62a_100103147603_100000038908 [0,0,0,0,0,1|1,0,2]=4 1318 B13R1.555 CC/C=C\CSC1CCCNC1=O 62a_100000687798_100103147603 [0,0,0,0,0,1|1,0,0]=2 1319 B13R1.555 CC/C=C\CSC1CCCNC1=O 62a_100103147603_100000687798 [0,0,0,0,0,1|1,0,0]=2 1320 B13R1.555 CC/C=C\CSC1COCCC1=O 62a_100012180262_100103147603 [0,0,0,0,0,1|1,0,0]=2 1321 B13R1.555 CC/C=C\CSC1COCCC1=O 62a_100103147603_100012180262 [0,0,0,0,0,1|1,0,0]=2 1322 B13R1.555 CC=CCOCC1CCCCC1=O 34a_100009861125_100000070051 [0,0,0,0,0,1|1,0,2]=4 1323 B13R1.555 CC=CCOCC1CCCCC1=O 7a_100009861125_100000070051 [0,0,0,0,0,1|1,0,2]=4 1324 B13R1.555 CCC#CCNC1CCCNC1=O 2230a_100000747585_100009813939 [0,0,0,0,0,1|1,0,2]=4 1325 B13R1.555 CCC#CCNC1CCCNC1=O 34a_100000747585_100009813939 [0,0,0,0,0,1|1,0,2]=4 1326 B13R1.555 CCC#CCOC1CCCCC1=O 34a_100000032950_100000754470 [0,0,0,0,0,1|1,0,2]=4 1327 B13R1.555 CCC#CCOC1CCCCC1=O 34a_100011214950_100009813939 [0,0,0,0,0,1|1,0,2]=4 1328 B13R1.555 CCC#CCOC1CCCNC1=O 34a_100000032950_100000687798 [0,0,0,0,0,1|1,0,2]=4 1329 B13R1.555 CCC#CCOC1CCCNC1=O 34a_100000073722_100009813939 [0,0,0,0,0,1|1,0,2]=4 1330 B13R1.555 CCC#CCOC1COCCC1=O 34a_100000032950_100012180262 [0,0,0,0,0,1|1,0,2]=4 1331 B13R1.555 CCC#CCSC1CCCCC1=O 62a_100000204591_100009813939 [0,0,0,0,0,1|1,0,2]=4 1332 B13R1.555 CCC#CCSC1CCCCC1=O 62a_100009813939_100000204591 [0,0,0,0,0,1|1,0,2]=4 1333 B13R1.555 CCC#CCSC1CCCNC1=O 62a_100000687798_100009813939 [0,0,0,0,0,1|1,0,2]=4 1334 B13R1.555 CCC#CCSC1CCCNC1=O 62a_100009813939_100000687798 [0,0,0,0,0,1|1,0,2]=4 1335 B13R1.555 CCC#CCSC1COCCC1=O 62a_100009813939_100012180262 [0,0,0,0,0,1|1,0,2]=4 1336 B13R1.555 CCC#CCSC1COCCC1=O 62a_100012180262_100009813939 [0,0,0,0,0,1|1,0,2]=4 1337 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [0,0,0,0,0,1|1,0,2]=4 1338 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [0,0,0,0,0,1|1,0,2]=4 1339 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [0,0,0,0,0,1|1,0,2]=4 1340 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,0,0,0,0,1|1,0,2]=4 1341 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,0,0,0,0,1|1,0,2]=4 1342 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,0,0,0,0,1|1,0,2]=4 1343 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [0,0,0,0,0,1|1,0,2]=4 1344 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [0,0,0,0,0,1|1,0,2]=4 1345 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [0,0,0,0,0,1|1,0,2]=4 1346 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [0,0,0,0,0,1|1,0,2]=4 1347 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [0,0,0,0,0,1|1,0,2]=4 1348 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,0,0,0,0,1|1,0,2]=4 1349 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,0,0,0,0,1|1,0,2]=4 1350 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [0,0,0,0,0,1|1,0,2]=4 1351 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [0,0,0,0,0,1|1,0,2]=4 1352 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [0,0,0,0,0,1|1,0,2]=4 1353 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [0,0,0,0,0,1|1,0,2]=4 1354 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,0,0,0,0,1|1,0,2]=4 1355 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,0,0,0,0,1|1,0,2]=4 1356 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [0,0,0,0,0,1|2,0,1]=4 1357 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [0,0,0,0,0,1|2,0,1]=4 1358 B13R1.555 CCCOCCC1NCCNC1=O 34a_100000044719_100000210303 [0,0,0,0,0,1|2,0,1]=4 1359 B13R1.555 CCOCCNC1CCCCC1=O 34a_102516460346_100000754470 [0,0,0,0,0,1|2,0,1]=4 1360 B13R1.555 CCOCCNC1CCCNC1=O 2230a_100000747585_100011215890 [0,0,0,0,0,1|2,0,1]=4 1361 B13R1.555 CCOCCNC1CCCNC1=O 2230a_102516460346_100000687798 [0,0,0,0,0,1|2,0,1]=4 1362 B13R1.555 CCOCCNC1CCCNC1=O 34a_100000747585_100000210147 [0,0,0,0,0,1|2,0,1]=4 1363 B13R1.555 CCOCCNC1CCCNC1=O 34a_102516460346_100000687798 [0,0,0,0,0,1|2,0,1]=4 1364 B13R1.555 CCOCCNC1COCCC1=O 34a_102516460346_100012180262 [0,0,0,0,0,1|2,0,1]=4 1365 B13R1.555 CCOCCOC1CCCCC1=O 34a_100000210136_100000754470 [0,0,0,0,0,1|2,0,1]=4 1366 B13R1.555 CCOCCOC1CCCCC1=O 34a_100011214950_100000210147 [0,0,0,0,0,1|2,0,1]=4 1367 B13R1.555 CCOCCOC1CCCCC1=O 7a_100000210136_100000204591 [0,0,0,0,0,1|2,0,1]=4 1368 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000073722_100000210147 [0,0,0,0,0,1|2,0,1]=4 1369 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000210136_100000687798 [0,0,0,0,0,1|2,0,1]=4 1370 B13R1.555 CCOCCOC1CCCNC1=O 7a_100000210136_100000687798 [0,0,0,0,0,1|2,0,1]=4 1371 B13R1.555 CCOCCOC1COCCC1=O 34a_100000210136_100012180262 [0,0,0,0,0,1|2,0,1]=4 1372 B13R1.555 CCOCCOC1COCCC1=O 7a_100000210136_100012180262 [0,0,0,0,0,1|2,0,1]=4 1373 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000204591_100011215890 [0,0,0,0,0,1|2,0,1]=4 1374 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000210147_100000204591 [0,0,0,0,0,1|2,0,1]=4 1375 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000210147_100000687798 [0,0,0,0,0,1|2,0,1]=4 1376 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000687798_100011215890 [0,0,0,0,0,1|2,0,1]=4 1377 B13R1.555 CCOCCSC1COCCC1=O 62a_100000210147_100012180262 [0,0,0,0,0,1|2,0,1]=4 1378 B13R1.555 CCOCCSC1COCCC1=O 62a_100012180262_100011215890 [0,0,0,0,0,1|2,0,1]=4 1379 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000106463_100000687798 [0,0,0,0,0,1|2,0,1]=4 1380 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000747585_100000757381 [0,0,0,0,0,1|2,0,1]=4 1381 B13R1.555 CCSCCNC1CCCNC1=O 34a_100000747585_100000757381 [0,0,0,0,0,1|2,0,1]=4 1382 B13R1.555 CCSCCOC1CCCCC1=O 34a_100000212035_100000754470 [0,0,0,0,0,1|2,0,1]=4 1383 B13R1.555 CCSCCOC1CCCCC1=O 34a_100011214950_100000757381 [0,0,0,0,0,1|2,0,1]=4 1384 B13R1.555 CCSCCOC1CCCCC1=O 7a_100000212035_100000204591 [0,0,0,0,0,1|2,0,1]=4 1385 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000073722_100000757381 [0,0,0,0,0,1|2,0,1]=4 1386 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000212035_100000687798 [0,0,0,0,0,1|2,0,1]=4 1387 B13R1.555 CCSCCOC1CCCNC1=O 7a_100000212035_100000687798 [0,0,0,0,0,1|2,0,1]=4 1388 B13R1.555 CCSCCOC1COCCC1=O 34a_100000212035_100012180262 [0,0,0,0,0,1|2,0,1]=4 1389 B13R1.555 CCSCCOC1COCCC1=O 7a_100000212035_100012180262 [0,0,0,0,0,1|2,0,1]=4 1390 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000204591_100000757381 [0,0,0,0,0,1|2,0,1]=4 1391 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000757381_100000204591 [0,0,0,0,0,1|2,0,1]=4 1392 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000687798_100000757381 [0,0,0,0,0,1|2,0,1]=4 1393 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000757381_100000687798 [0,0,0,0,0,1|2,0,1]=4 1394 B13R1.555 CCSCCSC1COCCC1=O 62a_100000757381_100012180262 [0,0,0,0,0,1|2,0,1]=4 1395 B13R1.555 CCSCCSC1COCCC1=O 62a_100012180262_100000757381 [0,0,0,0,0,1|2,0,1]=4 1396 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,0,1,0,0,0|1,0,0]=3 1397 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,0,1,0,0,0|1,0,0]=3 1398 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,1,0,0,0|2,0,0]=4 1399 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,1,0,0,0|2,0,0]=4 1400 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,1,0,0,0|2,0,0]=4 1401 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,1,0,0,0|2,0,0]=4 1402 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,1,0,0,0|2,0,0]=4 1403 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,1,0,0,0|2,0,0]=4 1404 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [1,0,1,0,0,0|2,0,0]=4 1405 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [1,0,1,0,0,0|2,0,0]=4 1406 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [1,0,1,0,0,0|2,0,0]=4 1407 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [1,0,1,0,0,0|2,0,0]=4 1408 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [1,0,1,0,0,0|2,0,0]=4 1409 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [1,0,1,0,0,0|2,0,0]=4 1410 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [1,0,1,0,0,0|2,0,0]=4 1411 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [1,0,1,0,0,0|2,0,0]=4 1412 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [1,0,1,0,0,0|2,0,0]=4 1413 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [1,0,1,0,0,0|2,0,0]=4 1414 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [1,0,1,0,0,0|2,0,0]=4 1415 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [1,0,1,0,0,0|2,0,0]=4 1416 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [1,0,1,0,0,0|1,0,1]=4 1417 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [1,0,1,0,0,0|1,0,1]=4 1418 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [1,0,1,0,0,0|1,0,1]=4 1419 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [1,0,1,0,0,0|1,0,1]=4 1420 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [1,0,1,0,0,0|1,0,1]=4 1421 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [1,0,1,0,0,0|2,0,0]=4 1422 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [1,0,1,0,0,0|1,0,1]=4 1423 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [1,0,1,0,0,0|1,0,1]=4 1424 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [1,0,1,0,0,0|1,0,1]=4 1425 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [1,0,1,0,0,0|1,0,1]=4 1426 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [1,0,1,0,0,0|1,0,1]=4 1427 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [1,0,1,0,0,0|1,0,1]=4 1428 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [1,0,1,0,0,0|2,0,0]=4 1429 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [1,0,1,0,0,0|1,0,1]=4 1430 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [1,0,1,0,0,0|1,0,1]=4 1431 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [1,0,1,0,0,0|1,0,1]=4 1432 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [1,0,1,0,0,0|1,0,1]=4 1433 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [1,0,1,0,0,0|1,0,1]=4 1434 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [1,0,1,0,0,0|1,0,1]=4 1435 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [1,0,1,0,0,0|1,0,1]=4 1436 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [1,0,1,0,0,0|1,0,1]=4 1437 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [1,0,1,0,0,0|1,0,0]=3 1438 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [1,0,1,0,0,0|1,0,0]=3 1439 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,1,0,0,0|1,0,0]=3 1440 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,1,0,0,0|1,0,0]=3 1441 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,0,1,0,0,0|2,0,0]=4 1442 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,0,1,0,0,0|2,0,0]=4 1443 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,0,1,0,0,0|1,0,1]=4 1444 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,0,1,0,0,0|1,0,1]=4 1445 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,0,1,0,0,0|2,0,0]=4 1446 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,1,0,0,0|1,0,1]=4 1447 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,1,0,0,0|1,0,1]=4 1448 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,1,0,0,0|1,0,1]=4 1449 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,1,0,0,0|1,0,1]=4 1450 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,1,0,0,0|1,0,1]=4 1451 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,1,0,0,0|1,0,1]=4 1452 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,1,0,0,0|1,0,1]=4 1453 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [1,0,1,0,0,0|2,0,0]=4 1454 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [1,0,1,0,0,0|2,0,0]=4 1455 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,1,0,0,0|1,0,1]=4 1456 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,1,0,0,0|1,0,1]=4 1457 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,0,1,0,0,0|2,0,0]=4 1458 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,0,1,0,0,0|2,0,0]=4 1459 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,0,1,0,0,0|2,0,0]=4 1460 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,1,0,0,0|1,0,1]=4 1461 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,1,0,0,0|1,0,1]=4 1462 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,1,0,0,0|1,0,1]=4 1463 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,1,0,0,0|1,0,1]=4 1464 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,0,1,0,0,0|2,0,0]=4 1465 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,0,1,0,0,0|2,0,0]=4 1466 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,0,1,0,0,0|2,0,0]=4 1467 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,0,1,0,0,0|2,0,0]=4 1468 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,0,1,0,0,0|2,0,0]=4 1469 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,0,1,0,0,0|1,0,1]=4 1470 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,0,1,0,0,0|1,0,1]=4 1471 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,1,0,0,0|1,0,1]=4 1472 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,1,0,0,0|1,0,1]=4 1473 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,0,1,0,0,0|2,0,0]=4 1474 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,0,1,0,0,0|2,0,0]=4 1475 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,0,1,0,0,0|1,0,1]=4 1476 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,0,1,0,0,0|1,0,1]=4 1477 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,1,0,0,0|1,0,1]=4 1478 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [1,0,1,0,0,0|1,0,1]=4 1479 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [1,0,1,0,0,0|1,0,1]=4 1480 B10R0.71 CC/C=C\COC/C=C\CC 34a_100016268518_100103147603 [1,0,1,0,0,0|1,0,1]=4 1481 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [1,0,1,0,0,0|2,0,0]=4 1482 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,1,0,0,0|1,0,1]=4 1483 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,1,0,0,0|1,0,1]=4 1484 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,1,0,0,0|1,0,1]=4 1485 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [1,0,1,0,0,0|2,0,0]=4 1486 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [1,0,1,0,0,0|2,0,0]=4 1487 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [1,0,1,0,0,0|2,0,0]=4 1488 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [1,0,1,0,0,0|2,0,0]=4 1489 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [1,0,1,0,0,0|2,0,0]=4 1490 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [1,0,1,0,0,0|2,0,0]=4 1491 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [1,0,1,0,0,0|2,0,0]=4 1492 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,0,1,0,0,0|1,0,1]=4 1493 B10R0.71 CC/C=C\CSC/C=C\CC 62a_100103147603_100103147603 [1,0,1,0,0,0|1,0,1]=4 1494 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [1,0,1,0,0,0|1,0,0]=3 1495 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [1,0,1,0,0,0|1,0,0]=3 1496 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,1,0,0,0|1,0,1]=4 1497 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,1,0,0,0|1,0,1]=4 1498 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [1,0,1,0,0,0|2,0,0]=4 1499 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [1,0,1,0,0,0|2,0,0]=4 1500 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [1,0,1,0,0,0|1,0,1]=4 1501 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [1,0,1,0,0,0|1,0,1]=4 1502 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,0,1,0,0,0|1,0,0]=3 1503 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,0,1,0,0,0|1,0,0]=3 1504 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,1,0,0,0|1,0,1]=4 1505 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,1,0,0,0|1,0,1]=4 1506 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,1,0,0,0|1,0,1]=4 1507 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,1,0,0,0|1,0,1]=4 1508 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,1,0,0,0|1,0,1]=4 1509 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,1,0,0,0|1,0,1]=4 1510 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,1,0,0,0|1,0,1]=4 1511 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,1,0,0,0|1,0,1]=4 1512 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,1,0,0,0|1,0,1]=4 1513 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,1,0,0,0|1,0,1]=4 1514 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,1,0,0,0|1,0,1]=4 1515 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,1,0,0,0|1,0,1]=4 1516 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,1,0,0,0|1,0,1]=4 1517 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,1,0,0,0|1,0,1]=4 1518 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,1,0,0,0|1,0,1]=4 1519 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,1,0,0,0|1,0,1]=4 1520 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,1,0,0,0|2,0,0]=4 1521 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,1,0,0,0|2,0,0]=4 1522 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,1,0,0,0|2,0,0]=4 1523 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,1,0,0,0|2,0,0]=4 1524 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,1,0,0,0|2,0,0]=4 1525 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,1,0,0,0|2,0,0]=4 1526 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,1,0,0,0|2,0,0]=4 1527 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,1,0,0,0|2,0,0]=4 1528 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,1,0,0,0|2,0,0]=4 1529 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,1,0,0,0|2,0,0]=4 1530 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [1,0,1,0,0,0|0,0,2]=4 1531 B10R0.1 C/C=C/C(C)OC/C=C\CC 34a_200102604097_100103147603 [1,0,1,0,0,0|1,0,1]=4 1532 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [1,0,1,0,0,0|2,0,0]=4 1533 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [1,0,1,0,0,0|2,0,0]=4 1534 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [1,0,1,0,0,0|1,0,0]=3 1535 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [1,0,1,0,0,0|1,0,0]=3 1536 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [1,0,1,0,0,0|2,0,0]=4 1537 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [1,0,1,0,0,0|2,0,0]=4 1538 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [1,0,1,0,0,0|2,0,0]=4 1539 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [1,0,1,0,0,0|2,0,0]=4 1540 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [1,0,1,0,0,0|0,0,2]=4 1541 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,0,1,0,0,0|0,0,2]=4 1542 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,0,1,0,0,0|0,0,2]=4 1543 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [1,0,1,0,0,0|0,0,2]=4 1544 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [1,0,1,0,0,0|1,0,1]=4 1545 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,0,1,0,0,0|0,0,0]=2 1546 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,0,1,0,0,0|1,0,0]=3 1547 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [1,0,1,0,0,0|1,0,0]=3 1548 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [1,0,1,0,0,0|1,0,0]=3 1549 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [1,0,1,0,0,0|1,0,1]=4 1550 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [1,0,1,0,0,0|1,0,1]=4 1551 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [1,0,1,0,0,0|1,0,1]=4 1552 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [1,0,1,0,0,0|1,0,1]=4 1553 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [1,0,1,0,0,0|1,0,1]=4 1554 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [1,0,1,0,0,0|1,0,1]=4 1555 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [1,0,1,0,0,0|1,0,1]=4 1556 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [1,0,1,0,0,0|1,0,1]=4 1557 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [1,0,1,0,0,0|0,0,2]=4 1558 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [1,0,1,0,0,0|2,0,0]=4 1559 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [1,0,1,0,0,0|1,0,0]=3 1560 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [1,0,1,0,0,0|1,0,0]=3 1561 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [1,0,1,0,0,0|2,0,0]=4 1562 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [1,0,1,0,0,0|2,0,0]=4 1563 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [1,0,1,0,0,0|2,0,0]=4 1564 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [1,0,1,0,0,0|2,0,0]=4 1565 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,0,1,0,0,0|0,0,2]=4 1566 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,0,1,0,0,0|1,0,1]=4 1567 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,1,0,0,0|1,0,1]=4 1568 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,1,0,0,0|1,0,1]=4 1569 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,0,1,0,0,0|1,0,1]=4 1570 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,1,0,0,0|1,0,0]=3 1571 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,0,1,0,0,0|2,0,0]=4 1572 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,0,1,0,0,0|2,0,0]=4 1573 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 1574 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,0,1,0,0,0|2,0,0]=4 1575 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 1576 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 1577 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1578 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1579 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1580 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1581 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,1,0,0,0|0,0,1]=3 1582 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,1,0,0,0|0,0,1]=3 1583 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,0,1,0,0,0|1,0,1]=4 1584 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,0,1,0,0,0|1,0,1]=4 1585 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,0,1,0,0,0|1,0,1]=4 1586 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,0,1,0,0,0|1,0,1]=4 1587 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,0,1,0,0,0|1,0,1]=4 1588 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,1,0,0,0|1,0,1]=4 1589 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,1,0,0,0|1,0,1]=4 1590 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,1,0,0,0|1,0,1]=4 1591 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,0,1,0,0,0|1,0,1]=4 1592 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,0,1,0,0,0|1,0,1]=4 1593 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,0,1,0,0,0|1,0,1]=4 1594 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,0,1,0,0,0|1,0,1]=4 1595 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,0,1,0,0,0|1,0,1]=4 1596 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,0,1,0,0,0|1,0,1]=4 1597 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,0,1,0,0,0|1,0,1]=4 1598 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,0,1,0,0,0|1,0,1]=4 1599 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,0,1,0,0,0|1,0,1]=4 1600 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,0,1,0,0,0|1,0,1]=4 1601 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,0,1,0,0,0|1,0,1]=4 1602 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,0,1,0,0,0|1,0,1]=4 1603 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,1,0,0,0|1,0,1]=4 1604 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,0,1,0,0,0|2,0,0]=4 1605 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,0,1,0,0,0|2,0,0]=4 1606 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,0,1,0,0,0|2,0,0]=4 1607 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,0,1,0,0,0|2,0,0]=4 1608 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,0,1,0,0,0|2,0,0]=4 1609 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,0,1,0,0,0|2,0,0]=4 1610 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,0,1,0,0,0|2,0,0]=4 1611 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,0,1,0,0,0|2,0,0]=4 1612 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [1,0,1,0,0,0|2,0,0]=4 1613 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [1,0,1,0,0,0|1,0,0]=3 1614 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [1,0,1,0,0,0|2,0,0]=4 1615 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [1,0,1,0,0,0|2,0,0]=4 1616 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [1,0,1,0,0,0|2,0,0]=4 1617 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [1,0,1,0,0,0|1,0,0]=3 1618 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [1,0,1,0,0,0|1,0,0]=3 1619 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [1,0,1,0,0,0|2,0,0]=4 1620 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [1,0,1,0,0,0|2,0,0]=4 1621 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [1,0,1,0,0,0|2,0,0]=4 1622 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [1,0,1,0,0,0|2,0,0]=4 1623 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,1,0,0,0|0,0,2]=4 1624 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,1,0,0,0|0,0,2]=4 1625 B10R0.41 C=CC(CC)OC/C=C\CC 34a_100000766422_100103147603 [1,0,1,0,0,0|1,0,1]=4 1626 B10R0.41 C=CC(CC)OC/C=C\CC 7a_100000766422_100103147603 [1,0,1,0,0,0|1,0,1]=4 1627 B10R0.41 CC/C=C\CCN(CC)CC 2230a_100000724800_100015370543 [1,0,1,0,0,0|1,0,1]=4 1628 B10R0.41 CC/C=C\CCN(CC)CC 269956a_100000042499_100015370543 [1,0,1,0,0,0|1,0,1]=4 1629 B10R0.41 CC/C=C\CCN(CC)CC 269982a_100000724800_100015370543 [1,0,1,0,0,0|1,0,1]=4 1630 B10R0.41 CC/C=C\CNC(CC)CC 2230a_100000199018_100103147603 [1,0,1,0,0,0|1,0,1]=4 1631 B10R0.41 CC/C=C\COC(CC)CC 7a_100000688536_100103147603 [1,0,1,0,0,0|1,0,1]=4 1632 B10R0.41 CC/C=C\CSC(CC)CC 62a_100000210505_100103147603 [1,0,1,0,0,0|1,0,1]=4 1633 B10R0.41 CC/C=C\CSC(CC)CC 62a_100103147603_100000210505 [1,0,1,0,0,0|1,0,1]=4 1634 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [1,0,1,0,0,0|2,0,0]=4 1635 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 2230a_100000119354_100103147603 [1,0,1,0,0,0|2,0,0]=4 1636 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 34a_100000119354_100103147603 [1,0,1,0,0,0|2,0,0]=4 1637 B10R0.75 CC/C=C\COC(C)C(=O)C 34a_100000212229_100103147603 [1,0,1,0,0,0|1,0,0]=3 1638 B10R0.75 CC/C=C\COC(C)C(=O)N 34a_100016268518_100000702099 [1,0,1,0,0,0|2,0,0]=4 1639 B10R0.75 CC/C=C\CO[C@@H](C)C(=O)[O-] 7a_217856618621_100103147603 [1,0,1,0,0,0|2,0,0]=4 1640 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 34a_100000731257_100103147603 [1,0,1,0,0,0|2,0,0]=4 1641 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 7a_100000731257_100103147603 [1,0,1,0,0,0|2,0,0]=4 1642 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100009814033_100103147603 [1,0,1,0,0,0|1,0,0]=3 1643 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100103147603_100009814033 [1,0,1,0,0,0|1,0,0]=3 1644 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100000702099_100103147603 [1,0,1,0,0,0|2,0,0]=4 1645 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100103147603_100000702099 [1,0,1,0,0,0|2,0,0]=4 1646 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,0,1,0,0,0|0,0,2]=4 1647 B10R0.86 C/C=C/CNC(CC)C(=O)N 34a_100000733705_100102629194 [1,0,1,0,0,0|2,0,0]=4 1648 B10R0.86 C/C=C/CN[C@H](CC)C(=O)O 269956a_100000747097_100102629194 [1,0,1,0,0,0|2,0,0]=4 1649 B10R0.86 C/C=C/COC(CC)C(=O)N 34a_100016270725_100000750255 [1,0,1,0,0,0|2,0,0]=4 1650 B10R0.86 C/C=C/CSC(CC)C(=O)N 62a_100000750255_100102629194 [1,0,1,0,0,0|2,0,0]=4 1651 B10R0.86 C/C=C/CSC(CC)C(=O)N 62a_100102629194_100000750255 [1,0,1,0,0,0|2,0,0]=4 1652 B10R0.86 CC=CCNC(CC)C(=O)N 2230a_100000733705_100000070051 [1,0,1,0,0,0|2,0,0]=4 1653 B10R0.86 CC=CCNC(CC)C(=O)N 34a_100000733705_100000070051 [1,0,1,0,0,0|2,0,0]=4 1654 B10R0.86 CC=CCSC(CC)C(=O)N 62a_100000070051_100000750255 [1,0,1,0,0,0|2,0,0]=4 1655 B10R0.86 CC=CCSC(CC)C(=O)N 62a_100000750255_100000070051 [1,0,1,0,0,0|2,0,0]=4 1656 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [1,0,1,0,0,0|0,0,1]=3 1657 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [1,0,1,0,0,0|0,0,1]=3 1658 B10R0.83 C/C=C/CN[C@H](C)C(=O)NC 34a_100000684985_100102629194 [1,0,1,0,0,0|2,0,0]=4 1659 B10R0.83 C/C=C/COC(C)C(=O)NC 34a_100016270725_100000731044 [1,0,1,0,0,0|2,0,0]=4 1660 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100011215400_100102629194 [1,0,1,0,0,0|2,0,0]=4 1661 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100016270725_100000211248 [1,0,1,0,0,0|2,0,0]=4 1662 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100000742827_100102629194 [1,0,1,0,0,0|1,0,0]=3 1663 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100102629194_100000742827 [1,0,1,0,0,0|1,0,0]=3 1664 B10R0.83 C/C=C/CSC(C)C(=O)NC 62a_100000209862_100102629194 [1,0,1,0,0,0|2,0,0]=4 1665 B10R0.83 C/C=C/CSC(C)C(=O)NC 62a_100102629194_100000731044 [1,0,1,0,0,0|2,0,0]=4 1666 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100000211248_100102629194 [1,0,1,0,0,0|2,0,0]=4 1667 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100102629194_100000211248 [1,0,1,0,0,0|2,0,0]=4 1668 B10R0.83 CC=CCN[C@H](C)C(=O)NC 2230a_100000684985_100000070051 [1,0,1,0,0,0|2,0,0]=4 1669 B10R0.83 CC=CCN[C@H](C)C(=O)NC 34a_100000684985_100000070051 [1,0,1,0,0,0|2,0,0]=4 1670 B10R0.83 CC=CCOC(C)C(=O)OC 34a_100011215400_100000070051 [1,0,1,0,0,0|2,0,0]=4 1671 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000070051_100000742827 [1,0,1,0,0,0|1,0,0]=3 1672 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000742827_100000070051 [1,0,1,0,0,0|1,0,0]=3 1673 B10R0.83 CC=CCSC(C)C(=O)NC 62a_100000070051_100000731044 [1,0,1,0,0,0|2,0,0]=4 1674 B10R0.83 CC=CCSC(C)C(=O)NC 62a_100000209862_100000070051 [1,0,1,0,0,0|2,0,0]=4 1675 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000070051_100000211248 [1,0,1,0,0,0|2,0,0]=4 1676 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000211248_100000070051 [1,0,1,0,0,0|2,0,0]=4 1677 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,0,1,0,0,0|0,0,1]=3 1678 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,0,1,0,0,0|0,0,1]=3 1679 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [1,0,1,0,0,0|1,0,1]=4 1680 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [1,0,1,0,0,0|1,0,1]=4 1681 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [1,0,1,0,0,0|1,0,1]=4 1682 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [1,0,1,0,0,0|1,0,1]=4 1683 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [1,0,1,0,0,0|1,0,1]=4 1684 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [1,0,1,0,0,0|1,0,1]=4 1685 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [1,0,1,0,0,0|1,0,1]=4 1686 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [1,0,1,0,0,0|1,0,1]=4 1687 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [1,0,1,0,0,0|1,0,1]=4 1688 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [1,0,1,0,0,0|1,0,1]=4 1689 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [1,0,1,0,0,0|1,0,1]=4 1690 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [1,0,1,0,0,0|1,0,1]=4 1691 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [1,0,1,0,0,0|1,0,1]=4 1692 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [1,0,1,0,0,0|1,0,1]=4 1693 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [1,0,1,0,0,0|1,0,1]=4 1694 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [1,0,1,0,0,0|1,0,1]=4 1695 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [1,0,1,0,0,0|2,0,0]=4 1696 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [1,0,1,0,0,0|2,0,0]=4 1697 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [1,0,1,0,0,0|2,0,0]=4 1698 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [1,0,1,0,0,0|2,0,0]=4 1699 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [1,0,1,0,0,0|2,0,0]=4 1700 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [1,0,1,0,0,0|2,0,0]=4 1701 B10R0.24 C=CC(CCC)OC/C=C/C 34a_100011216692_100102629194 [1,0,1,0,0,0|2,0,0]=4 1702 B10R0.24 C=CC(CCC)OC/C=C/C 7a_100011216692_100102629194 [1,0,1,0,0,0|2,0,0]=4 1703 B10R0.24 C=CC(CCC)OCC=CC 34a_100011216692_100000070051 [1,0,1,0,0,0|2,0,0]=4 1704 B10R0.24 C=CC(CCC)OCC=CC 7a_100011216692_100000070051 [1,0,1,0,0,0|2,0,0]=4 1705 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [2,0,0,0,0,0|1,0,1]=4 1706 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [2,0,0,0,0,0|1,0,1]=4 1707 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [2,0,0,0,0,0|1,0,1]=4 1708 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [2,0,0,0,0,0|1,0,1]=4 1709 B10R1.21 C/C=C/COC1CCCO1 34a_100000085407_100102629194 [2,0,0,0,0,0|2,0,0]=4 1710 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [2,0,0,0,0,0|1,0,1]=4 1711 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [2,0,0,0,0,0|1,0,1]=4 1712 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [2,0,0,0,0,0|1,0,1]=4 1713 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [2,0,0,0,0,0|1,0,1]=4 1714 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [2,0,0,0,0,0|1,0,1]=4 1715 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [2,0,0,0,0,0|1,0,1]=4 1716 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [2,0,0,0,0,0|1,0,1]=4 1717 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [2,0,0,0,0,0|1,0,1]=4 1718 B10R1.21 CC=CCOC1CCCO1 34a_100000085407_100000070051 [2,0,0,0,0,0|2,0,0]=4 1719 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [2,0,0,0,0,0|1,0,1]=4 1720 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [2,0,0,0,0,0|1,0,1]=4 1721 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [2,0,0,0,0,0|1,0,1]=4 1722 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [2,0,0,0,0,0|1,0,1]=4 1723 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [2,0,0,0,0,0|1,0,1]=4 1724 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [2,0,0,0,0,0|1,0,1]=4 1725 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [2,0,0,0,0,0|1,0,1]=4 1726 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [2,0,0,0,0,0|1,0,1]=4 1727 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [2,0,0,0,0,0|1,0,1]=4 1728 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [2,0,0,0,0,0|1,0,1]=4 1729 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [2,0,0,0,0,0|1,0,0]=3 1730 B10R1.29 C=CCNC1CCNC1=O 2230a_100016995588_100000210623 [2,0,0,0,0,0|2,0,0]=4 1731 B10R1.29 C=CCNC1CCNC1=O 34a_100016995588_100015514636 [2,0,0,0,0,0|2,0,0]=4 1732 B10R1.29 C=CCNC1CCOC1=O 2230a_100020586998_100000211211 [2,0,0,0,0,0|2,0,0]=4 1733 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [2,0,0,0,0,0|1,0,0]=3 1734 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [2,0,0,0,0,0|1,0,0]=3 1735 B10R1.29 C=CCOC1CCOC1=O 34a_200000210373_100000211211 [2,0,0,0,0,0|2,0,0]=4 1736 B10R1.29 C=CCO[C@H]1CCNC1=O 34a_100000688343_100015514636 [2,0,0,0,0,0|2,0,0]=4 1737 B10R1.29 C=CCSC1CCCC1=O 62a_100000210623_100000211823 [2,0,0,0,0,0|1,0,0]=3 1738 B10R1.29 C=CCSC1CCCC1=O 62a_100000211823_100000210623 [2,0,0,0,0,0|1,0,0]=3 1739 B10R1.29 C=CCSC1CCOC1=O 62a_100000210623_100000211211 [2,0,0,0,0,0|2,0,0]=4 1740 B10R1.29 C=CCSC1CCOC1=O 62a_100000211211_100000210623 [2,0,0,0,0,0|2,0,0]=4 1741 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [2,0,0,0,0,0|2,0,0]=4 1742 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [2,0,0,0,0,0|2,0,0]=4 1743 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [2,0,0,0,0,0|1,0,0]=3 1744 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [2,0,0,0,0,0|1,0,0]=3 1745 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [2,0,0,0,0,0|2,0,0]=4 1746 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [2,0,0,0,0,0|2,0,0]=4 1747 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [2,0,0,0,0,0|1,0,0]=3 1748 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [2,0,0,0,0,0|1,0,0]=3 1749 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [2,0,0,0,0,0|2,0,0]=4 1750 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [2,0,0,0,0,0|2,0,0]=4 1751 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [2,0,0,0,0,0|2,0,0]=4 1752 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [2,0,0,0,0,0|2,0,0]=4 1753 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [2,0,0,0,0,0|2,0,0]=4 1754 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [2,0,0,0,0,0|2,0,0]=4 1755 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [2,0,0,0,0,0|2,0,0]=4 1756 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [2,0,0,0,0,0|2,0,0]=4 1757 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [2,0,0,0,0,0|2,0,0]=4 1758 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [2,0,0,0,0,0|2,0,0]=4 1759 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [2,0,0,0,0,0|2,0,0]=4 1760 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [2,0,0,0,0,0|2,0,0]=4 1761 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [2,0,0,0,0,0|2,0,0]=4 1762 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [2,0,0,0,0,0|2,0,0]=4 1763 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [2,0,0,0,0,0|2,0,0]=4 1764 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [2,0,0,0,0,0|2,0,0]=4 1765 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [2,0,0,0,0,0|2,0,0]=4 1766 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [2,0,0,0,0,0|2,0,0]=4 1767 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [2,0,0,0,0,0|2,0,0]=4 1768 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [2,0,0,0,0,0|2,0,0]=4 1769 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [2,0,0,0,0,0|2,0,0]=4 1770 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [2,0,0,0,0,0|2,0,0]=4 1771 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [2,0,0,0,0,0|2,0,0]=4 1772 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [2,0,0,0,0,0|2,0,0]=4 1773 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [2,0,0,0,0,0|2,0,0]=4 1774 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [2,0,0,0,0,0|2,0,0]=4 1775 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [2,0,0,0,0,0|2,0,0]=4 1776 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [2,0,0,0,0,0|2,0,0]=4 1777 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [2,0,0,0,0,0|2,0,0]=4 1778 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [2,0,0,0,0,0|2,0,0]=4 1779 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [2,0,0,0,0,0|2,0,0]=4 1780 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [2,0,0,0,0,0|2,0,0]=4 1781 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [2,0,0,0,0,0|2,0,0]=4 1782 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [2,0,0,0,0,0|2,0,0]=4 1783 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [2,0,0,0,0,0|2,0,0]=4 1784 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [2,0,0,0,0,0|2,0,0]=4 1785 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [2,0,0,0,0,0|2,0,0]=4 1786 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [2,0,0,0,0,0|2,0,0]=4 1787 B12R0.1 C=CCC(C)COCC/C=C\CC 34a_100009832082_100015370543 [0,1,1,0,0,0|2,0,0]=4 1788 B12R0.1 C=CCC(C)COCC/C=C\CC 7a_100009832082_100015370543 [0,1,1,0,0,0|2,0,0]=4 1789 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,1,1,0,0,0|1,0,1]=4 1790 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,1,0,0,0|1,0,1]=4 1791 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,1,0,0,0|1,0,1]=4 1792 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,1,1,0,0,0|2,0,0]=4 1793 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,1,1,0,0,0|2,0,0]=4 1794 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,1,1,0,0,0|2,0,0]=4 1795 B12R0.1 C=CC[C@@H](N)COCC/C=C\CC 34a_100020615467_100015370543 [0,1,1,0,0,0|2,0,0]=4 1796 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,1,1,0,0,0|1,0,1]=4 1797 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,1,1,0,0,0|1,0,1]=4 1798 B12R0.1 CCNC(=O)CCSCCCC=O 62a_100000737597_200011292268 [0,1,1,0,0,0|2,0,0]=4 1799 B12R0.1 CCNC(=O)CCSCCCC=O 62a_200011292268_100000737597 [0,1,1,0,0,0|2,0,0]=4 1800 B12R0.1 CCNC(=O)CNCCCCC=O 2230a_100016988866_100000139335 [0,1,1,0,0,0|2,0,0]=4 1801 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000139335_100000183381 [0,1,1,0,0,0|2,0,0]=4 1802 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000183381_100000139335 [0,1,1,0,0,0|2,0,0]=4 1803 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,1,1,0,0,0|2,0,0]=4 1804 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,1,1,0,0,0|2,0,0]=4 1805 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,1,1,0,0,0|2,0,0]=4 1806 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,1,1,0,0,0|2,0,0]=4 1807 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,1,1,0,0,0|2,0,0]=4 1808 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,1,1,0,0,0|2,0,0]=4 1809 B12R0.5 C#CCCCCCOC/C=C\CC 34a_100000766912_100103147603 [0,1,1,0,0,0|1,0,1]=4 1810 B12R0.5 C#CCCCCCOC/C=C\CC 34a_100016268518_100012094781 [0,1,1,0,0,0|1,0,1]=4 1811 B12R0.5 C#CCCCCCOC/C=C\CC 7a_100000766912_100103147603 [0,1,1,0,0,0|1,0,1]=4 1812 B12R0.5 C#CCCCCCSC/C=C\CC 62a_100012094781_100103147603 [0,1,1,0,0,0|1,0,1]=4 1813 B12R0.5 C#CCCCCCSC/C=C\CC 62a_100103147603_100012094781 [0,1,1,0,0,0|1,0,1]=4 1814 B12R0.5 C#CCCCCNCC/C=C\CC 2230a_100000706060_100015370543 [0,1,1,0,0,0|1,0,1]=4 1815 B12R0.5 C#CCCCCNCC/C=C\CC 34a_100000706060_100015370543 [0,1,1,0,0,0|1,0,1]=4 1816 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100000766709_100015370543 [0,1,1,0,0,0|1,0,1]=4 1817 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100016288707_100010269958 [0,1,1,0,0,0|1,0,1]=4 1818 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100000766709_100015370543 [0,1,1,0,0,0|1,0,1]=4 1819 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100016288707_100010269958 [0,1,1,0,0,0|1,0,1]=4 1820 B12R0.5 C#CCCCCSCC/C=C\CC 62a_100010269958_100015370543 [0,1,1,0,0,0|1,0,1]=4 1821 B12R0.5 C#CCCCCSCC/C=C\CC 62a_100015370543_100010269958 [0,1,1,0,0,0|1,0,1]=4 1822 B12R0.5 C#CCCCOCCC/C=C/CC 34a_100016287902_100000695029 [0,1,1,0,0,0|1,0,1]=4 1823 B12R0.5 C#CCCCOCCC/C=C/CC 7a_100016287902_100011215417 [0,1,1,0,0,0|1,0,1]=4 1824 B12R0.5 C#CCCOCCCC/C=C\CC 34a_100016287862_100000688953 [0,1,1,0,0,0|1,0,1]=4 1825 B12R0.5 C#CCCOCCCC/C=C\CC 7a_100016287862_100000688953 [0,1,1,0,0,0|1,0,1]=4 1826 B12R0.5 C#CCOCCCCC/C=C\CC 34a_100016268722_100000184674 [0,1,1,0,0,0|1,0,1]=4 1827 B12R0.5 C#CCOCCCCC/C=C\CC 7a_100016268722_100000038162 [0,1,1,0,0,0|1,0,1]=4 1828 B12R0.5 C/C=C/COCCCC/C=C\CC 34a_100016287862_100102629194 [0,1,1,0,0,0|1,0,1]=4 1829 B12R0.5 C/C=C/COCCCC/C=C\CC 7a_100016287862_100102629194 [0,1,1,0,0,0|1,0,1]=4 1830 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,1,1,0,0,0|1,0,0]=3 1831 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,1,1,0,0,0|1,0,0]=3 1832 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,1,1,0,0,0|1,0,0]=3 1833 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [0,1,1,0,0,0|1,0,0]=3 1834 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [0,1,1,0,0,0|1,0,0]=3 1835 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [0,1,1,0,0,0|1,0,0]=3 1836 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [0,1,1,0,0,0|1,0,0]=3 1837 B12R0.5 C=CCCCCOC/C=C/CCC 34a_100016278788_100011215482 [0,1,1,0,0,0|2,0,0]=4 1838 B12R0.5 C=CCCCCOC/C=C/CCC 7a_100016278788_100011215482 [0,1,1,0,0,0|2,0,0]=4 1839 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,1,1,0,0,0|1,0,0]=3 1840 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,1,1,0,0,0|1,0,0]=3 1841 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,1,1,0,0,0|1,0,0]=3 1842 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,1,1,0,0,0|1,0,0]=3 1843 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [0,1,1,0,0,0|1,0,0]=3 1844 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [0,1,1,0,0,0|1,0,0]=3 1845 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,1,1,0,0,0|1,0,0]=3 1846 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,1,1,0,0,0|1,0,0]=3 1847 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [0,1,1,0,0,0|1,0,0]=3 1848 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [0,1,1,0,0,0|1,0,0]=3 1849 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [0,1,1,0,0,0|1,0,0]=3 1850 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [0,1,1,0,0,0|1,0,0]=3 1851 B12R0.5 C=CCOCCOCC/C=C\CC 34a_100000037705_100015370543 [0,1,1,0,0,0|2,0,0]=4 1852 B12R0.5 C=CCOCCOCC/C=C\CC 7a_100000037705_100015370543 [0,1,1,0,0,0|2,0,0]=4 1853 B12R0.5 C=COCCCCOC/C=C\CC 34a_100000031558_100103147603 [0,1,1,0,0,0|2,0,0]=4 1854 B12R0.5 C=COCCCCOC/C=C\CC 7a_100000031558_100103147603 [0,1,1,0,0,0|2,0,0]=4 1855 B12R0.5 C=COCCCNCC/C=C\CC 2230a_100000210767_100015370543 [0,1,1,0,0,0|2,0,0]=4 1856 B12R0.5 C=COCCCNCC/C=C\CC 34a_100000210767_100015370543 [0,1,1,0,0,0|2,0,0]=4 1857 B12R0.5 C=COCCOCCC/C=C/CC 34a_100016287902_100000039644 [0,1,1,0,0,0|2,0,0]=4 1858 B12R0.5 C=COCCOCCC/C=C/CC 7a_100016287902_100000039644 [0,1,1,0,0,0|2,0,0]=4 1859 B12R0.5 CC/C=C/C/C=C/CCOCC=O 34a_200016273837_200009817547 [0,1,1,0,0,0|0,0,2]=4 1860 B12R0.5 CC/C=C/C/C=C/CCOCC=O 7a_200016273837_200015260668 [0,1,1,0,0,0|0,0,2]=4 1861 B12R0.5 CC/C=C/CC/C=C/COCC=O 34a_100016264143_200009817547 [0,1,1,0,0,0|0,0,2]=4 1862 B12R0.5 CC/C=C/CC/C=C/COCC=O 7a_100016264143_200015260668 [0,1,1,0,0,0|0,0,2]=4 1863 B12R0.5 CC/C=C/CCCOCCCC#N 7a_100016287902_100000687738 [0,1,1,0,0,0|1,0,1]=4 1864 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,1,1,0,0,0|0,0,0]=2 1865 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [0,1,1,0,0,0|1,0,1]=4 1866 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [0,1,1,0,0,0|1,0,1]=4 1867 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [0,1,1,0,0,0|1,0,1]=4 1868 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [0,1,1,0,0,0|1,0,1]=4 1869 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [0,1,1,0,0,0|0,0,2]=4 1870 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [0,1,1,0,0,0|0,0,2]=4 1871 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [0,1,1,0,0,0|2,0,0]=4 1872 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [0,1,1,0,0,0|2,0,0]=4 1873 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,1,1,0,0,0|1,0,1]=4 1874 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [0,1,1,0,0,0|1,0,1]=4 1875 B12R0.5 CC/C=C\CCCCCNCCF 269862a_100000724931_100016288537 [0,1,1,0,0,0|1,0,1]=4 1876 B12R0.5 CC/C=C\CCCCCNCCO 269862a_100000210304_100016288537 [0,1,1,0,0,0|0,0,2]=4 1877 B12R0.5 CC/C=C\CCCCCOCC#N 7a_100016268722_100011215382 [0,1,1,0,0,0|1,0,1]=4 1878 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [0,1,1,0,0,0|0,0,0]=2 1879 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [0,1,1,0,0,0|0,0,0]=2 1880 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [0,1,1,0,0,0|1,0,1]=4 1881 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [0,1,1,0,0,0|1,0,1]=4 1882 B12R0.5 CC/C=C\CCCCCOCCF 34a_100016268722_100011217306 [0,1,1,0,0,0|1,0,1]=4 1883 B12R0.5 CC/C=C\CCCCCOCCF 7a_100016268722_100011217306 [0,1,1,0,0,0|1,0,1]=4 1884 B12R0.5 CC/C=C\CCCCCOCCO 34a_100016268722_100000211926 [0,1,1,0,0,0|0,0,2]=4 1885 B12R0.5 CC/C=C\CCCCCOCCO 7a_100016268722_100000211926 [0,1,1,0,0,0|0,0,2]=4 1886 B12R0.5 CC/C=C\CCCCCOCSC 34a_100016268722_100011218213 [0,1,1,0,0,0|2,0,0]=4 1887 B12R0.5 CC/C=C\CCCCOCCC#N 7a_100016287862_100000184422 [0,1,1,0,0,0|1,0,1]=4 1888 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [0,1,1,0,0,0|1,0,1]=4 1889 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [0,1,1,0,0,0|1,0,1]=4 1890 B12R0.5 CC/C=C\CCCCOCCCF 34a_100016287862_100011934791 [0,1,1,0,0,0|1,0,1]=4 1891 B12R0.5 CC/C=C\CCCCOCCCF 7a_100016287862_100011934791 [0,1,1,0,0,0|1,0,1]=4 1892 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [0,1,1,0,0,0|0,0,2]=4 1893 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [0,1,1,0,0,0|0,0,2]=4 1894 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [0,1,1,0,0,0|2,0,0]=4 1895 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [0,1,1,0,0,0|2,0,0]=4 1896 B12R0.5 CC/C=C\CCCCOCCSC 34a_100016287862_100000212216 [0,1,1,0,0,0|2,0,0]=4 1897 B12R0.5 CC/C=C\CCCCOCCSC 7a_100016287862_100000212216 [0,1,1,0,0,0|2,0,0]=4 1898 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [0,1,1,0,0,0|1,0,1]=4 1899 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [0,1,1,0,0,0|0,0,2]=4 1900 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [0,1,1,0,0,0|0,0,2]=4 1901 B12R0.5 CC/C=C\CCOCCCCC#N 7a_100016288707_100000211819 [0,1,1,0,0,0|1,0,1]=4 1902 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,1,1,0,0,0|0,0,0]=2 1903 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [0,1,1,0,0,0|1,0,1]=4 1904 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [0,1,1,0,0,0|1,0,1]=4 1905 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [0,1,1,0,0,0|1,0,1]=4 1906 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [0,1,1,0,0,0|1,0,1]=4 1907 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [0,1,1,0,0,0|1,0,1]=4 1908 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [0,1,1,0,0,0|1,0,1]=4 1909 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [0,1,1,0,0,0|1,0,1]=4 1910 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [0,1,1,0,0,0|1,0,1]=4 1911 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [0,1,1,0,0,0|1,0,1]=4 1912 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [0,1,1,0,0,0|1,0,1]=4 1913 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [0,1,1,0,0,0|1,0,1]=4 1914 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [0,1,1,0,0,0|1,0,1]=4 1915 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [0,1,1,0,0,0|1,0,1]=4 1916 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [0,1,1,0,0,0|0,0,2]=4 1917 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [0,1,1,0,0,0|0,0,2]=4 1918 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [0,1,1,0,0,0|2,0,0]=4 1919 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [0,1,1,0,0,0|2,0,0]=4 1920 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [0,1,1,0,0,0|2,0,0]=4 1921 B12R0.5 CC/C=C\CCOCCCCSC 34a_100011217163_100015370543 [0,1,1,0,0,0|2,0,0]=4 1922 B12R0.5 CC/C=C\CCOCCCCSC 7a_100011217163_100015370543 [0,1,1,0,0,0|2,0,0]=4 1923 B12R0.5 CC/C=C\CCSCCCCC#N 62a_100011219923_100015370543 [0,1,1,0,0,0|1,0,1]=4 1924 B12R0.5 CC/C=C\CCSCCCCC#N 62a_100015370543_100000211819 [0,1,1,0,0,0|1,0,1]=4 1925 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [0,1,1,0,0,0|0,0,0]=2 1926 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [0,1,1,0,0,0|0,0,0]=2 1927 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [0,1,1,0,0,0|1,0,1]=4 1928 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [0,1,1,0,0,0|1,0,1]=4 1929 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [0,1,1,0,0,0|1,0,1]=4 1930 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [0,1,1,0,0,0|1,0,1]=4 1931 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [0,1,1,0,0,0|0,0,2]=4 1932 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [0,1,1,0,0,0|0,0,2]=4 1933 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [0,1,1,0,0,0|2,0,0]=4 1934 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [0,1,1,0,0,0|2,0,0]=4 1935 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [0,1,1,0,0,0|1,0,1]=4 1936 B12R0.5 CC/C=C\CNCCCCCCO 2230a_100000686447_100103147603 [0,1,1,0,0,0|0,0,2]=4 1937 B12R0.5 CC/C=C\CNCCCCCCO 34a_100000686447_100103147603 [0,1,1,0,0,0|0,0,2]=4 1938 B12R0.5 CC/C=C\CNCCCCCOC 2230a_100000747528_100103147603 [0,1,1,0,0,0|2,0,0]=4 1939 B12R0.5 CC/C=C\CNCCCCCOC 34a_100000747528_100103147603 [0,1,1,0,0,0|2,0,0]=4 1940 B12R0.5 CC/C=C\COCCCCCCBr 34a_100011215345_100103147603 [0,1,1,0,0,0|1,0,1]=4 1941 B12R0.5 CC/C=C\COCCCCCCBr 7a_100011215345_100103147603 [0,1,1,0,0,0|1,0,1]=4 1942 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [0,1,1,0,0,0|1,0,1]=4 1943 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [0,1,1,0,0,0|1,0,1]=4 1944 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [0,1,1,0,0,0|1,0,1]=4 1945 B12R0.5 CC/C=C\COCCCCCCCl 34a_100000766143_100103147603 [0,1,1,0,0,0|1,0,1]=4 1946 B12R0.5 CC/C=C\COCCCCCCCl 7a_100000766143_100103147603 [0,1,1,0,0,0|1,0,1]=4 1947 B12R0.5 CC/C=C\COCCCCCCF 34a_100000732779_100103147603 [0,1,1,0,0,0|1,0,1]=4 1948 B12R0.5 CC/C=C\COCCCCCCF 34a_100016268518_100015922095 [0,1,1,0,0,0|1,0,1]=4 1949 B12R0.5 CC/C=C\COCCCCCCF 7a_100000732779_100103147603 [0,1,1,0,0,0|1,0,1]=4 1950 B12R0.5 CC/C=C\COCCCCCCN 34a_100000686447_100103147603 [0,1,1,0,0,0|1,0,1]=4 1951 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [0,1,1,0,0,0|0,0,2]=4 1952 B12R0.5 CC/C=C\COCCCCCNC 34a_100000722520_100103147603 [0,1,1,0,0,0|2,0,0]=4 1953 B12R0.5 CC/C=C\CSCCCCCC#N 62a_100009813376_100103147603 [0,1,1,0,0,0|1,0,1]=4 1954 B12R0.5 CC/C=C\CSCCCCCC#N 62a_100103147603_100009813376 [0,1,1,0,0,0|1,0,1]=4 1955 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [0,1,1,0,0,0|0,0,0]=2 1956 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [0,1,1,0,0,0|0,0,0]=2 1957 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [0,1,1,0,0,0|1,0,1]=4 1958 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [0,1,1,0,0,0|1,0,1]=4 1959 B12R0.5 CC/C=C\CSCCCCCCF 62a_100015922095_100103147603 [0,1,1,0,0,0|1,0,1]=4 1960 B12R0.5 CC/C=C\CSCCCCCCF 62a_100103147603_100015922095 [0,1,1,0,0,0|1,0,1]=4 1961 B12R0.5 CC/C=C\CSCCCCCCO 62a_100000766143_100103147603 [0,1,1,0,0,0|0,0,2]=4 1962 B12R0.5 CC/C=C\CSCCCCCCO 62a_100103147603_100000766143 [0,1,1,0,0,0|0,0,2]=4 1963 B12R0.5 CC=CCCCOCC/C=C\CC 34a_100020645299_100015370543 [0,1,1,0,0,0|1,0,1]=4 1964 B12R0.5 CC=CCOCCCC/C=C\CC 34a_100016287862_100000070051 [0,1,1,0,0,0|1,0,1]=4 1965 B12R0.5 CC=CCOCCCC/C=C\CC 7a_100016287862_100000070051 [0,1,1,0,0,0|1,0,1]=4 1966 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [0,1,1,0,0,0|0,0,2]=4 1967 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [0,1,1,0,0,0|0,0,2]=4 1968 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [0,1,1,0,0,0|0,0,2]=4 1969 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [0,1,1,0,0,0|1,0,0]=3 1970 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,1,1,0,0,0|1,0,1]=4 1971 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,1,1,0,0,0|1,0,1]=4 1972 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,1,1,0,0,0|1,0,1]=4 1973 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,1,1,0,0,0|1,0,1]=4 1974 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,1,1,0,0,0|0,0,2]=4 1975 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,1,1,0,0,0|0,0,2]=4 1976 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,1,1,0,0,0|0,0,2]=4 1977 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,1,1,0,0,0|0,0,2]=4 1978 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,1,1,0,0,0|0,0,2]=4 1979 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,1,1,0,0,0|0,0,2]=4 1980 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,1,1,0,0,0|0,0,2]=4 1981 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,1,1,0,0,0|0,0,2]=4 1982 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,1,1,0,0,0|0,0,2]=4 1983 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,1,1,0,0,0|0,0,2]=4 1984 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,1,1,0,0,0|0,0,2]=4 1985 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,1,1,0,0,0|0,0,2]=4 1986 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,1,1,0,0,0|0,0,2]=4 1987 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,1,1,0,0,0|0,0,2]=4 1988 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,1,1,0,0,0|0,0,2]=4 1989 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,1,1,0,0,0|0,0,2]=4 1990 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,1,1,0,0,0|0,0,2]=4 1991 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,1,1,0,0,0|1,0,1]=4 1992 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,1,1,0,0,0|1,0,1]=4 1993 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,1,1,0,0,0|1,0,1]=4 1994 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,1,1,0,0,0|1,0,1]=4 1995 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,1,1,0,0,0|1,0,1]=4 1996 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,1,1,0,0,0|1,0,1]=4 1997 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,1,1,0,0,0|1,0,1]=4 1998 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,1,1,0,0,0|1,0,1]=4 1999 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,1,1,0,0,0|1,0,1]=4 2000 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,1,1,0,0,0|1,0,1]=4 2001 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,1,1,0,0,0|1,0,1]=4 2002 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,1,1,0,0,0|1,0,1]=4 2003 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,1,1,0,0,0|1,0,1]=4 2004 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,1,1,0,0,0|1,0,1]=4 2005 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,1,1,0,0,0|1,0,1]=4 2006 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,1,1,0,0,0|1,0,1]=4 2007 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,1,1,0,0,0|1,0,1]=4 2008 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,1,1,0,0,0|1,0,1]=4 2009 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,1,1,0,0,0|1,0,1]=4 2010 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,1,1,0,0,0|1,0,1]=4 2011 B12R0.47 C=CCCCC(=O)CC/C=C\CC 1458a_100000766728_100015370543 [0,1,1,0,0,0|1,0,1]=4 2012 B12R0.47 C=CCCCCC(=O)C/C=C/CC 1458a_100016274230_100011215482 [0,1,1,0,0,0|1,0,1]=4 2013 B12R0.47 C=CCCCCC(=O)C/C=C\CC 1458a_100011215552_100103147603 [0,1,1,0,0,0|1,0,1]=4 2014 B12R0.47 C=CCCCCN(C)C/C=C\CC 2230a_100012000471_100103147603 [0,1,1,0,0,0|2,0,0]=4 2015 B12R0.47 C=CCCCCN(C)C/C=C\CC 269982a_100012000471_100103147603 [0,1,1,0,0,0|2,0,0]=4 2016 B12R0.206 C=CCCC(C)OCC/C=C\CC 34a_100000765329_100015370543 [0,1,1,0,0,0|2,0,0]=4 2017 B12R0.206 C=CCCC(C)OCC/C=C\CC 7a_100000765329_100015370543 [0,1,1,0,0,0|2,0,0]=4 2018 B12R0.206 C=CCCCCCC(=O)C=CCC 1458a_100000212282_100000700193 [0,1,1,0,0,0|1,0,1]=4 2019 B12R0.234 C=C(C)CCOCCC/C=C/CC 34a_100016287902_100000730704 [0,1,1,0,0,0|2,0,0]=4 2020 B12R0.234 C=C(C)CCOCCC/C=C/CC 7a_100016287902_100000730704 [0,1,1,0,0,0|2,0,0]=4 2021 B12R0.234 C=C(C)COCCCC/C=C\CC 34a_100016287862_100000748629 [0,1,1,0,0,0|2,0,0]=4 2022 B12R0.234 C=C(C)COCCCC/C=C\CC 7a_100016287862_100000748629 [0,1,1,0,0,0|2,0,0]=4 2023 B12R0.234 C=C(F)COCCCC/C=C\CC 34a_100016287862_100009893438 [0,1,1,0,0,0|2,0,0]=4 2024 B12R0.234 C=C(F)COCCCC/C=C\CC 7a_100016287862_100000042424 [0,1,1,0,0,0|2,0,0]=4 2025 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,1,1,0,0,0|1,0,0]=3 2026 B12R0.234 CC/C=C/CCCOCCC(=O)N 34a_100016287902_100000731001 [0,1,1,0,0,0|1,0,0]=3 2027 B12R0.234 CC/C=C/CCCOCCC(=O)N 7a_100016287902_100000744528 [0,1,1,0,0,0|1,0,0]=3 2028 B12R0.234 CC/C=C/CCCOCOC(=O)C 34a_100016287902_100009813279 [0,1,1,0,0,0|2,0,0]=4 2029 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,1,1,0,0,0|1,0,0]=3 2030 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,1,1,0,0,0|1,0,0]=3 2031 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,1,1,0,0,0|1,0,0]=3 2032 B12R0.234 CC/C=C\CCCCOC[N+](=O)[O-] 34a_100016287862_100000761209 [0,1,1,0,0,0|2,0,0]=4 2033 B12R0.234 CC/C=C\CCNCCCC(=O)N 34a_100000739312_100015370543 [0,1,1,0,0,0|1,0,0]=3 2034 B12R0.234 CC/C=C\CCNCCCS(=O)C 2230a_200000753449_100015370543 [0,1,1,0,0,0|2,0,0]=4 2035 B12R0.234 CC/C=C\CCNCCNC(=O)C 2230a_100000209853_100015370543 [0,1,1,0,0,0|2,0,0]=4 2036 B12R0.234 CC/C=C\CCNCCNC(=O)N 34a_100020590234_100015370543 [0,1,1,0,0,0|2,0,0]=4 2037 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,1,1,0,0,0|1,0,0]=3 2038 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,1,1,0,0,0|1,0,0]=3 2039 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,1,1,0,0,0|1,0,0]=3 2040 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,1,1,0,0,0|1,0,0]=3 2041 B12R0.234 CC/C=C\CCOCCCC(=O)N 34a_100016288707_100102525003 [0,1,1,0,0,0|1,0,0]=3 2042 B12R0.234 CC/C=C\CCOCCCC(=O)N 7a_100016288707_100102525003 [0,1,1,0,0,0|1,0,0]=3 2043 B12R0.234 CC/C=C\CCOCCC[N+](=O)[O-] 34a_200000037920_100015370543 [0,1,1,0,0,0|2,0,0]=4 2044 B12R0.234 CC/C=C\CCOCCNC(=O)C 34a_100000158858_100015370543 [0,1,1,0,0,0|2,0,0]=4 2045 B12R0.234 CC/C=C\CCOCCNC(=O)C 7a_100016288707_100000189650 [0,1,1,0,0,0|2,0,0]=4 2046 B12R0.234 CC/C=C\CCOCCNC(=O)N 34a_100000181757_100015370543 [0,1,1,0,0,0|2,0,0]=4 2047 B12R0.234 CC/C=C\CCOCCNC(=O)N 7a_100016288707_200000034859 [0,1,1,0,0,0|2,0,0]=4 2048 B12R0.234 CC/C=C\CCOCCOC(=O)C 34a_100016288707_100009814007 [0,1,1,0,0,0|2,0,0]=4 2049 B12R0.234 CC/C=C\CCOCCOC(=O)C 7a_100016288707_100009814007 [0,1,1,0,0,0|2,0,0]=4 2050 B12R0.234 CC/C=C\CCOCCOC(=O)N 34a_100016288707_200011214921 [0,1,1,0,0,0|2,0,0]=4 2051 B12R0.234 CC/C=C\CCOCCOC(=O)N 7a_100000766696_100015370543 [0,1,1,0,0,0|2,0,0]=4 2052 B12R0.234 CC/C=C\CCOCCOC(=O)N 7a_100016288707_200011214921 [0,1,1,0,0,0|2,0,0]=4 2053 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,1,1,0,0,0|1,0,0]=3 2054 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,1,1,0,0,0|1,0,0]=3 2055 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100015370543_100102525003 [0,1,1,0,0,0|1,0,0]=3 2056 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100102525003_100015370543 [0,1,1,0,0,0|1,0,0]=3 2057 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100000189650_100015370543 [0,1,1,0,0,0|2,0,0]=4 2058 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100015370543_100000189650 [0,1,1,0,0,0|2,0,0]=4 2059 B12R0.234 CC/C=C\CCSCCNC(=O)N 62a_100015370543_200000034859 [0,1,1,0,0,0|2,0,0]=4 2060 B12R0.234 CC/C=C\CCSCCNC(=O)N 62a_200000034859_100015370543 [0,1,1,0,0,0|2,0,0]=4 2061 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100009814007_100015370543 [0,1,1,0,0,0|2,0,0]=4 2062 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100015370543_100009814007 [0,1,1,0,0,0|2,0,0]=4 2063 B12R0.234 CC/C=C\CCSCCOC(=O)N 62a_100015370543_200011214921 [0,1,1,0,0,0|2,0,0]=4 2064 B12R0.234 CC/C=C\CCSCCOC(=O)N 62a_200011214921_100015370543 [0,1,1,0,0,0|2,0,0]=4 2065 B12R0.234 CC/C=C\CNCCCCC(=O)N 34a_100000696515_100103147603 [0,1,1,0,0,0|1,0,0]=3 2066 B12R0.234 CC/C=C\CNCCCNC(=O)C 34a_100000736810_100103147603 [0,1,1,0,0,0|2,0,0]=4 2067 B12R0.234 CC/C=C\CNCCOCC(=O)O 269956a_100000700818_100103147603 [0,1,1,0,0,0|2,0,0]=4 2068 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,1,1,0,0,0|1,0,0]=3 2069 B12R0.234 CC/C=C\COCCCCC(=O)N 34a_100012022536_100103147603 [0,1,1,0,0,0|1,0,0]=3 2070 B12R0.234 CC/C=C\COCCCCC(=O)N 7a_100012022536_100103147603 [0,1,1,0,0,0|1,0,0]=3 2071 B12R0.234 CC/C=C\COCCCC[N+](=O)[O-] 34a_200015379883_100103147603 [0,1,1,0,0,0|2,0,0]=4 2072 B12R0.234 CC/C=C\COCCCC[N+](=O)[O-] 7a_200015379883_100103147603 [0,1,1,0,0,0|2,0,0]=4 2073 B12R0.234 CC/C=C\COCCCNC(=O)C 34a_100000752032_100103147603 [0,1,1,0,0,0|2,0,0]=4 2074 B12R0.234 CC/C=C\COCCCOC(=O)C 34a_100016268518_100000042594 [0,1,1,0,0,0|2,0,0]=4 2075 B12R0.234 CC/C=C\COCCCSC(=O)C 34a_100016268518_100000038929 [0,1,1,0,0,0|2,0,0]=4 2076 B12R0.234 CC/C=C\COCCOCC(=O)N 34a_100016268518_100000076697 [0,1,1,0,0,0|2,0,0]=4 2077 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,1,1,0,0,0|1,0,0]=3 2078 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,1,1,0,0,0|1,0,0]=3 2079 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100000042594_100103147603 [0,1,1,0,0,0|2,0,0]=4 2080 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100103147603_100000042594 [0,1,1,0,0,0|2,0,0]=4 2081 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100000038929_100103147603 [0,1,1,0,0,0|2,0,0]=4 2082 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100103147603_100000038929 [0,1,1,0,0,0|2,0,0]=4 2083 B12R0.234 CC/C=C\CSCCOCC(=O)N 62a_100000076697_100103147603 [0,1,1,0,0,0|2,0,0]=4 2084 B12R0.234 CC/C=C\CSCCOCC(=O)N 62a_100103147603_100000076697 [0,1,1,0,0,0|2,0,0]=4 2085 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,1,1,0,0,0|0,0,2]=4 2086 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,1,0,0,0|0,0,2]=4 2087 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,1,0,0,0|0,0,2]=4 2088 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,1,0,0,0|0,0,2]=4 2089 B12R0.248 C=CC(O)COCCC/C=C/CC 34a_100016287902_100000730141 [0,1,1,0,0,0|2,0,0]=4 2090 B12R0.248 C=CC(O)COCCC/C=C/CC 7a_100016287902_100000730141 [0,1,1,0,0,0|2,0,0]=4 2091 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,1,0,0,0|1,0,1]=4 2092 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,1,0,0,0|1,0,1]=4 2093 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,1,1,0,0,0|1,0,1]=4 2094 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,1,1,0,0,0|1,0,1]=4 2095 B12R0.248 CCC(=O)NCCOCCCC=O 7a_200000158885_200011292268 [0,1,1,0,0,0|2,0,0]=4 2096 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,1,1,0,0,0|2,0,0]=4 2097 B12R0.4 CC/C=C\CNCC(=O)NC(C)C 2230a_100000168517_100103147603 [0,1,1,0,0,0|2,0,0]=4 2098 B12R0.4 CC/C=C\COCC(=O)NC(C)C 34a_100016268518_100000183996 [0,1,1,0,0,0|2,0,0]=4 2099 B12R0.4 CC/C=C\COCC(=O)OC(C)C 34a_100016268518_100011215430 [0,1,1,0,0,0|2,0,0]=4 2100 B12R0.4 CC/C=C\CSCC(=O)NC(C)C 62a_100000183996_100103147603 [0,1,1,0,0,0|2,0,0]=4 2101 B12R0.4 CC/C=C\CSCC(=O)NC(C)C 62a_100103147603_100000183996 [0,1,1,0,0,0|2,0,0]=4 2102 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100011215430_100103147603 [0,1,1,0,0,0|2,0,0]=4 2103 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100103147603_100011215430 [0,1,1,0,0,0|2,0,0]=4 2104 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,1,1,0,0,0|0,0,2]=4 2105 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,1,1,0,0,0|0,0,2]=4 2106 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,1,0,0,0|0,0,2]=4 2107 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,1,0,0,0|0,0,2]=4 2108 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 34a_200020655201_200000210301 [0,1,1,0,0,0|2,0,0]=4 2109 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 7a_200020655201_200000210301 [0,1,1,0,0,0|2,0,0]=4 2110 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 34a_200020655201_200025704644 [0,1,1,0,0,0|2,0,0]=4 2111 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 7a_200020655201_200025704644 [0,1,1,0,0,0|2,0,0]=4 2112 B12R0.49 CC/C=C\COCC(=O)N(C)CC 34a_100016268518_100000738999 [0,1,1,0,0,0|2,0,0]=4 2113 B12R0.49 CC/C=C\CSCC(=O)N(C)CC 62a_100000738999_100103147603 [0,1,1,0,0,0|2,0,0]=4 2114 B12R0.49 CC/C=C\CSCC(=O)N(C)CC 62a_100103147603_100000738999 [0,1,1,0,0,0|2,0,0]=4 2115 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,1,1,0,0,0|0,0,2]=4 2116 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,1,1,0,0,0|0,0,2]=4 2117 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,1,1,0,0,0|0,0,2]=4 2118 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [0,1,1,0,0,0|1,0,1]=4 2119 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,1,1,0,0,0|0,0,2]=4 2120 B12R0.114 CC/C=C\CCC(=O)C(=O)NCC 1458a_200011297158_100015370543 [0,1,1,0,0,0|1,0,1]=4 2121 B12R0.114 CC/C=C\CNC(C)C(=O)NCC 2230a_100000736553_100103147603 [0,1,1,0,0,0|2,0,0]=4 2122 B12R0.114 CC/C=C\CNC(C)C(=O)NCC 34a_100000736553_100103147603 [0,1,1,0,0,0|2,0,0]=4 2123 B12R0.114 CC/C=C\CN[C@@H](C)C(=O)SCC 2230a_100103168634_100103147603 [0,1,1,0,0,0|2,0,0]=4 2124 B12R0.114 CC/C=C\COC(C)C(=O)NCC 34a_100016268518_100000230173 [0,1,1,0,0,0|2,0,0]=4 2125 B12R0.114 CC/C=C\COC(C)C(=O)OCC 34a_100016268518_100011216346 [0,1,1,0,0,0|2,0,0]=4 2126 B12R0.114 CC/C=C\COC(F)C(=O)OCC 34a_100016268518_100000760018 [0,1,1,0,0,0|2,0,0]=4 2127 B12R0.114 CC/C=C\CO[C@@H](C)C(=O)OCC 7a_100000751109_100103147603 [0,1,1,0,0,0|2,0,0]=4 2128 B12R0.114 CC/C=C\CSC(C)C(=O)NCC 62a_100000230173_100103147603 [0,1,1,0,0,0|2,0,0]=4 2129 B12R0.114 CC/C=C\CSC(C)C(=O)NCC 62a_100103147603_100000230173 [0,1,1,0,0,0|2,0,0]=4 2130 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100011216346_100103147603 [0,1,1,0,0,0|2,0,0]=4 2131 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100103147603_100011216346 [0,1,1,0,0,0|2,0,0]=4 2132 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100000760018_100103147603 [0,1,1,0,0,0|2,0,0]=4 2133 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100103147603_100000760018 [0,1,1,0,0,0|2,0,0]=4 2134 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,1,1,0,0,0|0,0,2]=4 2135 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,1,1,0,0,0|0,0,2]=4 2136 B12R0.239 C=C(CCC)CC(=O)C/C=C\CC 1458a_100000138376_100103147603 [0,1,1,0,0,0|1,0,1]=4 2137 B12R0.239 CC/C=C/CC(=O)CC(=O)CCC 1458a_100016274230_100000747444 [0,1,1,0,0,0|0,0,1]=3 2138 B12R0.239 CC/C=C/CC(=O)CC(=O)NCC 1458a_100016274230_100000183381 [0,1,1,0,0,0|1,0,1]=4 2139 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,1,1,0,0,0|1,0,1]=4 2140 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,1,1,0,0,0|1,0,1]=4 2141 B12R0.239 CC/C=C\CC(=O)CS(=O)CCC 1458a_100011387404_100103147603 [0,1,1,0,0,0|1,0,1]=4 2142 B12R0.239 CC/C=C\CN(C)CC(=O)NCC 2230a_100000741943_100103147603 [0,1,1,0,0,0|2,0,0]=4 2143 B12R0.239 CC/C=C\CN(C)CC(=O)NCC 269982a_100000741943_100103147603 [0,1,1,0,0,0|2,0,0]=4 2144 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,1,1,0,0,0|2,0,0]=4 2145 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,1,0,0,0|1,0,1]=4 2146 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,1,0,0,0|1,0,1]=4 2147 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,1,1,0,0,0|2,0,0]=4 2148 B12R0.276 CCCC(=O)NCCNC(=O)CC 11a_100132302217_100000211992 [0,1,1,0,0,0|2,0,0]=4 2149 B12R0.276 CCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211992 [0,1,1,0,0,0|2,0,0]=4 2150 B12R0.276 CCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211992 [0,1,1,0,0,0|2,0,0]=4 2151 B12R0.276 CCCC(=O)NCCNC(=O)CC 527a_100132302217_100000211992 [0,1,1,0,0,0|2,0,0]=4 2152 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,1,1,0,0,0|1,0,1]=4 2153 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,1,1,0,0,0|1,0,1]=4 2154 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,1,1,0,0,0|2,0,0]=4 2155 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,1,1,0,0,0|0,0,2]=4 2156 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,1,1,0,0,0|0,0,2]=4 2157 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,1,1,0,0,0|1,0,1]=4 2158 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,1,1,0,0,0|1,0,0]=3 2159 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,1,1,0,0,0|1,0,0]=3 2160 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,1,1,0,0,0|1,0,0]=3 2161 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,1,1,0,0,0|2,0,0]=4 2162 B12R0.285 CCCC(=O)CCSC(=S)NCC 1458a_200009862762_100000210303 [0,1,1,0,0,0|2,0,0]=4 2163 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,1,1,0,0,0|2,0,0]=4 2164 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,1,1,0,0,0|1,0,1]=4 2165 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,1,1,0,0,0|2,0,0]=4 2166 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,1,1,0,0,0|2,0,0]=4 2167 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,1,1,0,0,0|2,0,0]=4 2168 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,1,1,0,0,0|2,0,0]=4 2169 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,1,1,0,0,0|2,0,0]=4 2170 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,1,1,0,0,0|2,0,0]=4 2171 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,1,1,0,0,0|2,0,0]=4 2172 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,1,1,0,0,0|2,0,0]=4 2173 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,1,1,0,0,0|2,0,0]=4 2174 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,1,1,0,0,0|2,0,0]=4 2175 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,1,1,0,0,0|2,0,0]=4 2176 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,1,1,0,0,0|2,0,0]=4 2177 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,1,1,0,0,0|2,0,0]=4 2178 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,1,1,0,0,0|2,0,0]=4 2179 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,1,1,0,0,0|2,0,0]=4 2180 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,1,1,0,0,0|2,0,0]=4 2181 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,1,1,0,0,0|2,0,0]=4 2182 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,1,1,0,0,0|2,0,0]=4 2183 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,1,1,0,0,0|2,0,0]=4 2184 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,1,1,0,0,0|2,0,0]=4 2185 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,1,1,0,0,0|2,0,0]=4 2186 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,1,1,0,0,0|2,0,0]=4 2187 B12R0.17 CCOC(=O)CCN(CC)C(=O)C 11a_200011277716_100015343762 [0,1,1,0,0,0|2,0,0]=4 2188 B12R0.17 CCOC(=O)CCN(CC)C(=O)C 1626a_200011277716_100015343762 [0,1,1,0,0,0|2,0,0]=4 2189 B12R0.17 CCOC(=O)CCN(CC)C(=O)C 240690a_200011277716_100015343762 [0,1,1,0,0,0|2,0,0]=4 2190 B12R0.17 CCOC(=O)CCN(CC)C(=O)C 527a_200011277716_100103153847 [0,1,1,0,0,0|2,0,0]=4 2191 B12R0.108 CC/C=C/CC(=O)C(CC)C(=O)N 1458a_100016274230_100000750255 [0,1,1,0,0,0|1,0,1]=4 2192 B12R0.108 CC/C=C\CN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100103147603 [0,1,1,0,0,0|2,0,0]=4 2193 B12R0.108 CC/C=C\CN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100103147603 [0,1,1,0,0,0|2,0,0]=4 2194 B12R0.112 CC/C=C\CNC(C(=O)O)C(C)O 269956a_100000185852_100103147603 [0,1,1,0,0,0|2,0,0]=4 2195 B12R0.112 CC/C=C\CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100103147603 [0,1,1,0,0,0|2,0,0]=4 2196 B12R0.112 CC/C=C\CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100103147603 [0,1,1,0,0,0|2,0,0]=4 2197 B12R0.112 CC/C=C\COC(C(=O)N)C(C)C 34a_100016268518_100000230017 [0,1,1,0,0,0|2,0,0]=4 2198 B12R0.112 CC/C=C\CSC(C(=O)C)C(=O)C 62a_100000210371_100103147603 [0,1,1,0,0,0|1,0,1]=4 2199 B12R0.112 CC/C=C\CSC(C(=O)C)C(=O)C 62a_100103147603_100000210371 [0,1,1,0,0,0|1,0,1]=4 2200 B12R0.112 CC/C=C\CSC(C(=O)N)C(C)C 62a_100000230017_100103147603 [0,1,1,0,0,0|2,0,0]=4 2201 B12R0.112 CC/C=C\CSC(C(=O)N)C(C)C 62a_100103147603_100000230017 [0,1,1,0,0,0|2,0,0]=4 2202 B12R0.200 CC/C=C\CN[C@@H](CC)C(=O)NC 2230a_106657271573_100103147603 [0,1,1,0,0,0|1,0,0]=3 2203 B12R0.200 CC/C=C\CN[C@@H](CC)C(=O)NC 34a_106657271573_100103147603 [0,1,1,0,0,0|1,0,0]=3 2204 B12R0.200 CC/C=C\COC(CC)C(=O)CC 34a_200011218131_100103147603 [0,1,1,0,0,0|1,0,0]=3 2205 B12R0.200 CC/C=C\COC(CC)C(=O)CC 7a_200011218131_100103147603 [0,1,1,0,0,0|1,0,0]=3 2206 B12R0.200 CC/C=C\COC(CC)C(=O)OC 34a_100000695916_100103147603 [0,1,1,0,0,0|1,0,0]=3 2207 B12R0.200 CC/C=C\COC(CC)C(=O)OC 34a_100016268518_100000235869 [0,1,1,0,0,0|1,0,0]=3 2208 B12R0.200 CC/C=C\COC(CC)C(=O)OC 7a_100000695916_100103147603 [0,1,1,0,0,0|1,0,0]=3 2209 B12R0.200 CC/C=C\COC(CN)C(=O)OC 34a_100000695228_100103147603 [0,1,1,0,0,0|2,0,0]=4 2210 B12R0.200 CC/C=C\COC(CO)C(=O)OC 34a_100016268518_100012276630 [0,1,1,0,0,0|2,0,0]=4 2211 B12R0.200 CC/C=C\COC(OC)C(=O)OC 34a_100000036821_100103147603 [0,1,1,0,0,0|2,0,0]=4 2212 B12R0.200 CC/C=C\COC(OC)C(=O)OC 34a_100016268518_100000101307 [0,1,1,0,0,0|2,0,0]=4 2213 B12R0.200 CC/C=C\CSC(CC)C(=O)OC 62a_100000235869_100103147603 [0,1,1,0,0,0|1,0,0]=3 2214 B12R0.200 CC/C=C\CSC(CC)C(=O)OC 62a_100103147603_100000235869 [0,1,1,0,0,0|1,0,0]=3 2215 B12R0.200 CC/C=C\CSC(CO)C(=O)OC 62a_100012276630_100103147603 [0,1,1,0,0,0|2,0,0]=4 2216 B12R0.200 CC/C=C\CSC(CO)C(=O)OC 62a_100103147603_100012276630 [0,1,1,0,0,0|2,0,0]=4 2217 B12R0.200 CC/C=C\CSC(OC)C(=O)OC 62a_100000101307_100103147603 [0,1,1,0,0,0|2,0,0]=4 2218 B12R0.200 CC/C=C\CSC(OC)C(=O)OC 62a_100103147603_100000101307 [0,1,1,0,0,0|2,0,0]=4 2219 B12R0.201 CC/C=C\CCNC(CC)C(=O)N 2230a_100000733705_100015370543 [0,1,1,0,0,0|1,0,0]=3 2220 B12R0.201 CC/C=C\CCNC(CC)C(=O)N 34a_100000733705_100015370543 [0,1,1,0,0,0|1,0,0]=3 2221 B12R0.201 CC/C=C\CCNC(CO)C(=O)O 269956a_100000187304_100015370543 [0,1,1,0,0,0|2,0,0]=4 2222 B12R0.201 CC/C=C\CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100015370543 [0,1,1,0,0,0|0,0,2]=4 2223 B12R0.201 CC/C=C\CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100015370543 [0,1,1,0,0,0|0,0,2]=4 2224 B12R0.201 CC/C=C\CCN[C@@H](CO)C(=O)N 2230a_100000729942_100015370543 [0,1,1,0,0,0|2,0,0]=4 2225 B12R0.201 CC/C=C\CCN[C@@H](CO)C(=O)N 34a_100000729942_100015370543 [0,1,1,0,0,0|2,0,0]=4 2226 B12R0.201 CC/C=C\CCN[C@H](CC)C(=O)O 269956a_100000747097_100015370543 [0,1,1,0,0,0|1,0,0]=3 2227 B12R0.201 CC/C=C\CCOC(CC)C(=O)N 34a_100016288707_100000750255 [0,1,1,0,0,0|1,0,0]=3 2228 B12R0.201 CC/C=C\CCOC(CC)C(=O)N 7a_100016288707_100000750255 [0,1,1,0,0,0|1,0,0]=3 2229 B12R0.201 CC/C=C\CCOC(CC)C(C)C 34a_100011218073_100015370543 [0,1,1,0,0,0|1,0,1]=4 2230 B12R0.201 CC/C=C\CCOC(CC)C(C)C 7a_100011218073_100015370543 [0,1,1,0,0,0|1,0,1]=4 2231 B12R0.201 CC/C=C\CCSC(CC)C(=O)N 62a_100000750255_100015370543 [0,1,1,0,0,0|1,0,0]=3 2232 B12R0.201 CC/C=C\CCSC(CC)C(=O)N 62a_100015370543_100000750255 [0,1,1,0,0,0|1,0,0]=3 2233 B12R0.201 CC/C=C\COCC(CC)C(C)C 34a_100011995916_100103147603 [0,1,1,0,0,0|1,0,1]=4 2234 B12R0.201 CC/C=C\COCC(CC)C(C)C 7a_100011995916_100103147603 [0,1,1,0,0,0|1,0,1]=4 2235 B12R0.201 CCC/C=C/COC(CC)C(=O)N 34a_100016278788_100000750255 [0,1,1,0,0,0|2,0,0]=4 2236 B12R0.201 CCC/C=C/COC(CC)C(=O)N 7a_100016278788_100000750255 [0,1,1,0,0,0|2,0,0]=4 2237 B12R0.203 CC/C=C\CN[C@@H](CCC)C(=O)N 2230a_100000729256_100103147603 [0,1,1,0,0,0|2,0,0]=4 2238 B12R0.203 CC/C=C\CN[C@@H](CCC)C(=O)N 34a_100000729256_100103147603 [0,1,1,0,0,0|2,0,0]=4 2239 B12R0.203 CC/C=C\CN[C@@H](CCC)C(=O)O 269956a_100000750406_100103147603 [0,1,1,0,0,0|2,0,0]=4 2240 B12R0.203 CC/C=C\CN[C@@H](CSC)C(=O)O 269956a_100011421858_100103147603 [0,1,1,0,0,0|2,0,0]=4 2241 B12R0.203 CC/C=C\CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100103147603 [0,1,1,0,0,0|2,0,0]=4 2242 B12R0.203 CC/C=C\CN[C@H](COC)C(=O)O 269956a_100011998655_100103147603 [0,1,1,0,0,0|2,0,0]=4 2243 B12R0.203 CC/C=C\COC(CCC)C(=O)N 34a_100011626294_100103147603 [0,1,1,0,0,0|2,0,0]=4 2244 B12R0.203 CC/C=C\COC(CCC)C(=O)N 7a_100011626294_100103147603 [0,1,1,0,0,0|2,0,0]=4 2245 B12R0.459 CC/C=C\CNC(C)(CC)C(=O)O 269956a_100025756313_100103147603 [0,1,1,0,0,0|2,0,0]=4 2246 B12R0.46 CC/C=C\CN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100103147603 [0,1,1,0,0,0|2,0,0]=4 2247 B12R0.46 CC/C=C\CN[C@@H](C)C(=O)N(C)C 34a_100000697320_100103147603 [0,1,1,0,0,0|2,0,0]=4 2248 B12R0.46 CC/C=C\CSC(C)C(=O)C(C)C 62a_100009893295_100103147603 [0,1,1,0,0,0|1,0,0]=3 2249 B12R0.46 CC/C=C\CSC(C)C(=O)C(C)C 62a_100103147603_100009893295 [0,1,1,0,0,0|1,0,0]=3 2250 B12R0.46 CC/C=C\CSC(C)C(=O)N(C)C 62a_100000209910_100103147603 [0,1,1,0,0,0|2,0,0]=4 2251 B12R0.46 CC/C=C\CSC(C)C(=O)N(C)C 62a_100103147603_100000209910 [0,1,1,0,0,0|2,0,0]=4 2252 B12R0.46 CCCCCCC(C)C(=O)C(C)C 1458a_100000210198_100011215978 [0,1,1,0,0,0|0,0,2]=4 2253 B12R0.46 CCCCCCC(C)C(=O)C(C)F 1458a_100000062450_100011215978 [0,1,1,0,0,0|0,0,2]=4 2254 B12R0.46 CCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100011215978 [0,1,1,0,0,0|0,0,2]=4 2255 B12R0.46 CCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100011215978 [0,1,1,0,0,0|0,0,2]=4 2256 B12R0.79 CC=CC(=O)CCC(C)C(=O)OC 1458a_100000210699_100000034942 [0,1,1,0,0,0|1,0,1]=4 2257 B12R0.79 CCCC(=O)CCC(C)C(=O)OC 1458a_100000211992_100000034942 [0,1,1,0,0,0|1,0,1]=4 2258 B12R0.79 CCCC(=O)CSC(C)C(=O)CC 62a_100000742827_100000747444 [0,1,1,0,0,0|1,0,1]=4 2259 B12R0.79 CCCC(=O)CSC(C)C(=O)CC 62a_100000747444_100000742827 [0,1,1,0,0,0|1,0,1]=4 2260 B12R0.79 CCNC(=O)CNC(C)C(=O)CC 2230a_100016988866_100000742827 [0,1,1,0,0,0|2,0,0]=4 2261 B12R0.79 CCNC(=O)CSC(C)C(=O)CC 62a_100000183381_100000742827 [0,1,1,0,0,0|2,0,0]=4 2262 B12R0.79 CCNC(=O)CSC(C)C(=O)CC 62a_100000742827_100000183381 [0,1,1,0,0,0|2,0,0]=4 2263 B12R0.79 CCOC(=O)CCC(C)C(=O)CC 1458a_100000210414_100000748298 [0,1,1,0,0,0|1,0,0]=3 2264 B12R0.79 CCOC(=O)CCC(C)C(=O)CO 1458a_100000210174_100000748298 [0,1,1,0,0,0|2,0,0]=4 2265 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 11a_100000745921_100000210414 [0,1,1,0,0,0|2,0,0]=4 2266 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 1626a_100000745921_100000210414 [0,1,1,0,0,0|2,0,0]=4 2267 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 240690a_100000745921_100000210414 [0,1,1,0,0,0|2,0,0]=4 2268 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 527a_100000745921_100000210414 [0,1,1,0,0,0|2,0,0]=4 2269 B12R0.79 CCOC(=O)CSC(C)C(=O)CC 62a_100000188475_100000742827 [0,1,1,0,0,0|2,0,0]=4 2270 B12R0.79 CCOC(=O)CSC(C)C(=O)CC 62a_100000742827_100000188475 [0,1,1,0,0,0|2,0,0]=4 2271 B12R0.110 CC/C=C/CC(=O)C(C)C(=O)CC 1458a_100016274230_100000742827 [0,1,1,0,0,0|0,0,1]=3 2272 B12R0.110 CC/C=C/CC(=O)C(C)C(=O)NC 1458a_100016274230_100000209862 [0,1,1,0,0,0|1,0,1]=4 2273 B12R0.110 CC/C=C/CC(=O)C(C)C(=O)OC 1458a_100016274230_100000211248 [0,1,1,0,0,0|1,0,1]=4 2274 B12R0.110 CC/C=C\CC(=O)C(C)C(=O)OC 1458a_100012027023_100103147603 [0,1,1,0,0,0|1,0,1]=4 2275 B12R0.110 CC/C=C\CN(C)C(C)C(=O)OC 2230a_100000725243_100103147603 [0,1,1,0,0,0|2,0,0]=4 2276 B12R0.110 CC/C=C\CN(C)C(C)C(=O)OC 269982a_100000725243_100103147603 [0,1,1,0,0,0|2,0,0]=4 2277 B12R0.600 CC/C=C\COC(C)(C)C(=O)NC 34a_100016268518_100000732697 [0,1,1,0,0,0|2,0,0]=4 2278 B12R0.600 CC/C=C\COC(C)(C)C(=O)OC 34a_100011217581_100103147603 [0,1,1,0,0,0|2,0,0]=4 2279 B12R0.600 CC/C=C\COC(C)(C)C(=O)OC 7a_100011217581_100103147603 [0,1,1,0,0,0|2,0,0]=4 2280 B12R0.600 CC/C=C\COC(C)(F)C(=O)OC 34a_100016268518_200009867631 [0,1,1,0,0,0|2,0,0]=4 2281 B12R0.600 CC/C=C\CSC(C)(C)C(=O)NC 62a_100000732697_100103147603 [0,1,1,0,0,0|2,0,0]=4 2282 B12R0.600 CC/C=C\CSC(C)(C)C(=O)NC 62a_100103147603_100000732697 [0,1,1,0,0,0|2,0,0]=4 2283 B12R0.600 CC/C=C\CSC(C)(C)C(=O)OC 62a_100000689032_100103147603 [0,1,1,0,0,0|2,0,0]=4 2284 B12R0.600 CC/C=C\CSC(C)(C)C(=O)OC 62a_100103147603_100000689032 [0,1,1,0,0,0|2,0,0]=4 2285 B12R0.600 CC/C=C\CSC(C)(F)C(=O)OC 62a_100103147603_200009867631 [0,1,1,0,0,0|2,0,0]=4 2286 B12R0.600 CC/C=C\CSC(C)(F)C(=O)OC 62a_200009867631_100103147603 [0,1,1,0,0,0|2,0,0]=4 2287 B12R0.600 CCCCCCC(C)(C)C(=O)CC 1458a_100011290782_100000210202 [0,1,1,0,0,0|0,0,2]=4 2288 B12R0.111 C=CC(CCCC)OC/C=C\CC 34a_200011215037_100103147603 [0,1,1,0,0,0|2,0,0]=4 2289 B12R0.111 C=CC(CCCC)OC/C=C\CC 7a_200011215037_100103147603 [0,1,1,0,0,0|2,0,0]=4 2290 B12R0.202 C=CC(CC(C)C)OC/C=C\CC 34a_100012186643_100103147603 [0,1,1,0,0,0|2,0,0]=4 2291 B12R0.202 C=CC(CC(C)C)OC/C=C\CC 7a_100012186643_100103147603 [0,1,1,0,0,0|2,0,0]=4 2292 B12R0.205 C/C=C/C(CCC)OC/C=C\CC 34a_200016264281_100103147603 [0,1,1,0,0,0|2,0,0]=4 2293 B12R0.205 C/C=C/C(CCC)OC/C=C\CC 7a_200016264281_100103147603 [0,1,1,0,0,0|2,0,0]=4 2294 B12R0.205 C=CCC(CCC)OC/C=C\CC 34a_100011215139_100103147603 [0,1,1,0,0,0|2,0,0]=4 2295 B12R0.205 C=CCC(CCC)OC/C=C\CC 7a_100011215139_100103147603 [0,1,1,0,0,0|2,0,0]=4 2296 B12R1.7 CC/C=C\CCN1CCC(C1)O 2230a_100011215560_100015370543 [1,1,0,0,0,0|1,0,1]=4 2297 B12R1.7 CC/C=C\CCN1CCC(C1)O 269982a_100011215560_100015370543 [1,1,0,0,0,0|1,0,1]=4 2298 B12R1.7 CC/C=C\CCN1CC[C@@H](C1)F 2230a_100015203821_100015370543 [1,1,0,0,0,0|1,0,1]=4 2299 B12R1.7 CC/C=C\CCN1CC[C@@H](C1)F 269982a_100015203821_100015370543 [1,1,0,0,0,0|1,0,1]=4 2300 B12R1.7 CC/C=C\CCN1CC[C@@H](C1)F 34a_100015203821_100015370543 [1,1,0,0,0,0|1,0,1]=4 2301 B12R1.7 CC/C=C\CCN1CC[C@H](C1)C 2230a_100016987628_100015370543 [1,1,0,0,0,0|1,0,1]=4 2302 B12R1.7 CC/C=C\CCN1CC[C@H](C1)C 269982a_100016987628_100015370543 [1,1,0,0,0,0|1,0,1]=4 2303 B12R1.7 CC/C=C\CCN1CC[C@H](C1)C 34a_100016987628_100015370543 [1,1,0,0,0,0|1,0,1]=4 2304 B12R1.7 CC/C=C\CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100103147603 [1,1,0,0,0,0|1,0,1]=4 2305 B12R1.7 CC/C=C\COC1CCC(C1)C 34a_100000698185_100103147603 [1,1,0,0,0,0|1,0,1]=4 2306 B12R1.35 CC/C=C/CC(=O)C1CCCC1 1458a_100016274230_100000179811 [1,1,0,0,0,0|0,0,2]=4 2307 B12R1.35 CC/C=C\CC(=O)C1=CCCC1 1458a_100000038896_100103147603 [1,1,0,0,0,0|0,0,2]=4 2308 B12R1.35 CC/C=C\CC(=O)C1CCCC1 1458a_100000210718_100103147603 [1,1,0,0,0,0|0,0,2]=4 2309 B12R1.35 CC/C=C\CC(=O)C1CCCS1 1458a_100012002731_100103147603 [1,1,0,0,0,0|1,0,1]=4 2310 B12R1.35 CC/C=C\CC(=O)[C@@H]1CCCO1 1458a_100000686382_100103147603 [1,1,0,0,0,0|1,0,1]=4 2311 B12R1.35 CC/C=C\CN(C)C1CCCC1 2230a_100000207505_100103147603 [1,1,0,0,0,0|1,0,1]=4 2312 B12R1.35 CC/C=C\CN(C)C1CCCC1 269982a_100000207505_100103147603 [1,1,0,0,0,0|1,0,1]=4 2313 B12R1.35 CC/C=C\CN(C)C1CCCC1 34a_100000207505_100103147603 [1,1,0,0,0,0|1,0,1]=4 2314 B12R1.37 CC/C=C\CCNC1CCCC1 2230a_100000211070_100015370543 [1,1,0,0,0,0|0,0,1]=3 2315 B12R1.37 CC/C=C\CCNC1CCCC1 34a_100000211070_100015370543 [1,1,0,0,0,0|0,0,1]=3 2316 B12R1.37 CC/C=C\CCN[C@@H]1CCOC1 2230a_200015188469_100015370543 [1,1,0,0,0,0|1,0,1]=4 2317 B12R1.37 CC/C=C\CCN[C@H]1CCOC1 2230a_100015188467_100015370543 [1,1,0,0,0,0|1,0,1]=4 2318 B12R1.37 CC/C=C\CCN[C@H]1CCOC1 34a_100015188467_100015370543 [1,1,0,0,0,0|1,0,1]=4 2319 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100000210269_100015370543 [1,1,0,0,0,0|0,0,1]=3 2320 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100016288707_100000179811 [1,1,0,0,0,0|0,0,1]=3 2321 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100000210269_100015370543 [1,1,0,0,0,0|0,0,1]=3 2322 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100016288707_100000179811 [1,1,0,0,0,0|0,0,1]=3 2323 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [1,1,0,0,0,0|1,0,0]=3 2324 B12R1.37 CC/C=C\CCOC1CCOC1 34a_100016288707_100000690089 [1,1,0,0,0,0|1,0,1]=4 2325 B12R1.37 CC/C=C\CCOC1CCOC1 7a_100016288707_100000731011 [1,1,0,0,0,0|1,0,1]=4 2326 B12R1.37 CC/C=C\CCOC1CCSC1 7a_100011232664_100015370543 [1,1,0,0,0,0|1,0,1]=4 2327 B12R1.37 CC/C=C\CCO[C@H]1CCOC1 34a_100000717292_100015370543 [1,1,0,0,0,0|1,0,1]=4 2328 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100011217020_100015370543 [1,1,0,0,0,0|0,0,1]=3 2329 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100015370543_100000179811 [1,1,0,0,0,0|0,0,1]=3 2330 B12R1.37 CC/C=C\CCSC1CCOC1 62a_100015370543_100000690089 [1,1,0,0,0,0|1,0,1]=4 2331 B12R1.37 CC/C=C\CNCC1CCCC1 2230a_100000737975_100103147603 [1,1,0,0,0,0|0,0,1]=3 2332 B12R1.37 CC/C=C\CNCC1CCCC1 34a_100000737975_100103147603 [1,1,0,0,0,0|0,0,1]=3 2333 B12R1.37 CC/C=C\CNCC1CCOC1 2230a_100000737293_100103147603 [1,1,0,0,0,0|1,0,1]=4 2334 B12R1.37 CC/C=C\CNCC1CCOC1 34a_100000737293_100103147603 [1,1,0,0,0,0|1,0,1]=4 2335 B12R1.37 CC/C=C\CNCC1OCCO1 2230a_100000036311_100103147603 [1,1,0,0,0,0|2,0,0]=4 2336 B12R1.37 CC/C=C\CNCC1OCCO1 34a_100000036311_100103147603 [1,1,0,0,0,0|2,0,0]=4 2337 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 2230a_100020590478_100103147603 [1,1,0,0,0,0|1,0,0]=3 2338 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 34a_100020590478_100103147603 [1,1,0,0,0,0|1,0,0]=3 2339 B12R1.37 CC/C=C\COCC1CCCC1 34a_100000742336_100103147603 [1,1,0,0,0,0|0,0,1]=3 2340 B12R1.37 CC/C=C\COCC1CCCC1 34a_100016268518_100000740388 [1,1,0,0,0,0|0,0,1]=3 2341 B12R1.37 CC/C=C\COCC1CCCC1 7a_100000742336_100103147603 [1,1,0,0,0,0|0,0,1]=3 2342 B12R1.37 CC/C=C\COCC1CCCO1 34a_100000210270_100103147603 [1,1,0,0,0,0|1,0,0]=3 2343 B12R1.37 CC/C=C\COCC1CCCO1 7a_100000210270_100103147603 [1,1,0,0,0,0|1,0,0]=3 2344 B12R1.37 CC/C=C\COCC1CCNC1 34a_100000748654_100103147603 [1,1,0,0,0,0|1,0,1]=4 2345 B12R1.37 CC/C=C\COCC1CCOC1 34a_100000740260_100103147603 [1,1,0,0,0,0|1,0,1]=4 2346 B12R1.37 CC/C=C\COCC1CCOC1 34a_100016268518_100011261433 [1,1,0,0,0,0|1,0,1]=4 2347 B12R1.37 CC/C=C\COCC1COCO1 34a_100011216627_100103147603 [1,1,0,0,0,0|2,0,0]=4 2348 B12R1.37 CC/C=C\COCC1OCCO1 34a_100000087154_100103147603 [1,1,0,0,0,0|2,0,0]=4 2349 B12R1.37 CC/C=C\COCC1OCCO1 34a_100016268518_100000755774 [1,1,0,0,0,0|2,0,0]=4 2350 B12R1.37 CC/C=C\COC[C@H]1CCCN1 34a_100000745186_100103147603 [1,1,0,0,0,0|1,0,0]=3 2351 B12R1.37 CC/C=C\CSCC1CCCC1 62a_100000740388_100103147603 [1,1,0,0,0,0|0,0,1]=3 2352 B12R1.37 CC/C=C\CSCC1CCCC1 62a_100103147603_100000740388 [1,1,0,0,0,0|0,0,1]=3 2353 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100000203698_100103147603 [1,1,0,0,0,0|1,0,0]=3 2354 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100103147603_100000203698 [1,1,0,0,0,0|1,0,0]=3 2355 B12R1.37 CC/C=C\CSCC1CCOC1 62a_100000702531_100103147603 [1,1,0,0,0,0|1,0,1]=4 2356 B12R1.37 CC/C=C\CSCC1CCOC1 62a_100103147603_100000702531 [1,1,0,0,0,0|1,0,1]=4 2357 B12R1.37 CC/C=C\CSCC1OCCO1 62a_100000755774_100103147603 [1,1,0,0,0,0|2,0,0]=4 2358 B12R1.37 CC/C=C\CSCC1OCCO1 62a_100103147603_100000755774 [1,1,0,0,0,0|2,0,0]=4 2359 B12R1.37 CCC/C=C/COC1CCCC1 34a_100016278788_100000179811 [1,1,0,0,0,0|1,0,1]=4 2360 B12R1.37 CCC/C=C/COC1CCCC1 7a_100016278788_100000179811 [1,1,0,0,0,0|1,0,1]=4 2361 B12R1.37 CCNN=CCCC1CCCC1 4a_100000756455_100011713431 [1,1,0,0,0,0|1,0,1]=4 2362 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [1,1,0,0,0,0|0,0,2]=4 2363 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [1,1,0,0,0,0|0,0,2]=4 2364 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [1,1,0,0,0,0|0,0,2]=4 2365 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [1,1,0,0,0,0|1,0,1]=4 2366 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [1,1,0,0,0,0|1,0,1]=4 2367 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [1,1,0,0,0,0|1,0,1]=4 2368 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [1,1,0,0,0,0|1,0,1]=4 2369 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [1,1,0,0,0,0|2,0,0]=4 2370 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [1,1,0,0,0,0|2,0,0]=4 2371 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [1,1,0,0,0,0|2,0,0]=4 2372 B12R1.53 CCC=CC(=O)CC1CCCC1 1458a_100000212282_100000740388 [1,1,0,0,0,0|0,0,2]=4 2373 B12R1.53 CCC=CC(=O)CC1CCCO1 1458a_100000212282_100000203698 [1,1,0,0,0,0|1,0,1]=4 2374 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [1,1,0,0,0,0|0,0,2]=4 2375 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [1,1,0,0,0,0|1,0,1]=4 2376 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [1,1,0,0,0,0|1,0,1]=4 2377 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [1,1,0,0,0,0|1,0,1]=4 2378 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [1,1,0,0,0,0|1,0,1]=4 2379 B12R1.1758 CC/C=C\COC1(CCCC1)C 34a_100000751722_100103147603 [1,1,0,0,0,0|1,0,1]=4 2380 B12R1.1758 CC/C=C\COC1(CCCC1)C 7a_100000751722_100103147603 [1,1,0,0,0,0|1,0,1]=4 2381 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_100000764851_100000709159 [1,1,0,0,0,0|1,0,1]=4 2382 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_200000719330_100000730704 [1,1,0,0,0,0|1,0,1]=4 2383 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000211823_100000730704 [1,1,0,0,0,0|1,0,1]=4 2384 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000730704_100000211823 [1,1,0,0,0,0|1,0,1]=4 2385 B12R1.130 CC(=CCNC1CCCC1=O)C 34a_100000718196_100000709159 [1,1,0,0,0,0|1,0,0]=3 2386 B12R1.130 CC(=CCNC1CCNC1=O)C 2230a_100016995588_100000761012 [1,1,0,0,0,0|2,0,0]=4 2387 B12R1.130 CC(=CCNC1CCNC1=O)C 34a_100016995588_100000761012 [1,1,0,0,0,0|2,0,0]=4 2388 B12R1.130 CC(=CCNC1CCOC1=O)C 34a_100000718196_100000211211 [1,1,0,0,0,0|2,0,0]=4 2389 B12R1.130 CC(=CCOC1CCCC1=O)C 34a_100000753907_100000709159 [1,1,0,0,0,0|1,0,0]=3 2390 B12R1.130 CC(=CCOC1CCCC1=O)C 34a_200000719330_100000761012 [1,1,0,0,0,0|1,0,0]=3 2391 B12R1.130 CC(=CCOC1CCOC1=O)C 34a_100000753907_100000211211 [1,1,0,0,0,0|2,0,0]=4 2392 B12R1.130 CC(=CCO[C@H]1CCNC1=O)C 34a_100000688343_100000761012 [1,1,0,0,0,0|2,0,0]=4 2393 B12R1.130 CC(=CCSC1CCCC1=O)C 62a_100000211823_100000761012 [1,1,0,0,0,0|1,0,0]=3 2394 B12R1.130 CC(=CCSC1CCCC1=O)C 62a_100000761012_100000211823 [1,1,0,0,0,0|1,0,0]=3 2395 B12R1.130 CC(=CCSC1CCOC1=O)C 62a_100000211211_100000761012 [1,1,0,0,0,0|2,0,0]=4 2396 B12R1.130 CC(=CCSC1CCOC1=O)C 62a_100000761012_100000211211 [1,1,0,0,0,0|2,0,0]=4 2397 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [1,1,0,0,0,0|1,0,1]=4 2398 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [1,1,0,0,0,0|1,0,1]=4 2399 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [1,1,0,0,0,0|1,0,1]=4 2400 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [1,1,0,0,0,0|1,0,1]=4 2401 B12R1.130 CC(=O)NCCN1CCCC1=O 11a_100011200922_100015343762 [1,1,0,0,0,0|2,0,0]=4 2402 B12R1.130 CC(=O)NCCN1CCCC1=O 1626a_100011200922_100015343762 [1,1,0,0,0,0|2,0,0]=4 2403 B12R1.130 CC(=O)NCCN1CCCC1=O 240690a_100011200922_100015343762 [1,1,0,0,0,0|2,0,0]=4 2404 B12R1.130 CC(=O)NCCN1CCCC1=O 527a_100011200922_100103153847 [1,1,0,0,0,0|2,0,0]=4 2405 B12R1.130 CC(=O)OCOC1CCCC1=O 34a_200000719330_100009813279 [1,1,0,0,0,0|2,0,0]=4 2406 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000076356_100000211823 [1,1,0,0,0,0|2,0,0]=4 2407 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000211823_100000076356 [1,1,0,0,0,0|2,0,0]=4 2408 B12R1.130 CC(Br)CCOC1CCCC1=O 34a_100009893172_100000709159 [1,1,0,0,0,0|1,0,1]=4 2409 B12R1.130 CC(C)CCOC1CCCC1=O 34a_100000210254_100000709159 [1,1,0,0,0,0|1,0,1]=4 2410 B12R1.130 CC(C)CCOC1CCCC1=O 34a_200000719330_100000210312 [1,1,0,0,0,0|1,0,1]=4 2411 B12R1.130 CC(C)CCOC1CCCC1=O 7a_100000210254_100000211823 [1,1,0,0,0,0|1,0,1]=4 2412 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000210312_100000211823 [1,1,0,0,0,0|1,0,1]=4 2413 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000211823_100000210312 [1,1,0,0,0,0|1,0,1]=4 2414 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100011200922_100000210206 [1,1,0,0,0,0|2,0,0]=4 2415 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100138425928_100000739059 [1,1,0,0,0,0|2,0,0]=4 2416 B12R1.130 CC(C)NCCN1CCCC1=O 34a_100138425928_100000739059 [1,1,0,0,0,0|2,0,0]=4 2417 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000211209_100000210206 [1,1,0,0,0,0|2,0,0]=4 2418 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000212225_100000739059 [1,1,0,0,0,0|2,0,0]=4 2419 B12R1.130 CC(C)OCCN1CCCC1=O 7a_100000211209_100000210206 [1,1,0,0,0,0|2,0,0]=4 2420 B12R1.130 CC(C)OCOC1CCCC1=O 34a_200000719330_100000709892 [1,1,0,0,0,0|2,0,0]=4 2421 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000211823_100000709892 [1,1,0,0,0,0|2,0,0]=4 2422 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000709892_100000211823 [1,1,0,0,0,0|2,0,0]=4 2423 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000210206_100000739059 [1,1,0,0,0,0|2,0,0]=4 2424 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000739059_100000210206 [1,1,0,0,0,0|2,0,0]=4 2425 B12R1.130 CC(O)CCNC1CCCC1=O 2230a_200000755665_100000211823 [1,1,0,0,0,0|1,0,1]=4 2426 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [1,1,0,0,0,0|1,0,1]=4 2427 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100000211823_100012276601 [1,1,0,0,0,0|1,0,1]=4 2428 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100012276601_100000211823 [1,1,0,0,0,0|1,0,1]=4 2429 B12R1.130 C[C@@H](N)CCOC1CCCC1=O 34a_100000706166_100000709159 [1,1,0,0,0,0|1,0,1]=4 2430 B12R1.318 C/C=C/C(C)OC1CCCC1=O 34a_200102604097_100000709159 [1,1,0,0,0,0|1,0,0]=3 2431 B12R1.318 C/C=C/C(C)OC1CCOC1=O 34a_200102604097_100000211211 [1,1,0,0,0,0|2,0,0]=4 2432 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [1,1,0,0,0,0|1,0,1]=4 2433 B12R1.318 CCCC(C)NC1CCCC1=O 2230a_100000741246_100000211823 [1,1,0,0,0,0|1,0,1]=4 2434 B12R1.318 CCCC(C)OC1CCCC1=O 34a_100000764384_100000709159 [1,1,0,0,0,0|1,0,1]=4 2435 B12R1.318 CCCC(C)OC1CCCC1=O 34a_200000719330_100000766640 [1,1,0,0,0,0|1,0,1]=4 2436 B12R1.318 CCCC(C)OC1CCCC1=O 7a_100000764384_100000211823 [1,1,0,0,0,0|1,0,1]=4 2437 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000211823_100000766640 [1,1,0,0,0,0|1,0,1]=4 2438 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000766640_100000211823 [1,1,0,0,0,0|1,0,1]=4 2439 B12R1.318 CCNC(=O)CN1CCCC1=O 11a_100015525214_100000189602 [1,1,0,0,0,0|2,0,0]=4 2440 B12R1.318 CCNC(=O)CN1CCCC1=O 240690a_100015525214_100000189602 [1,1,0,0,0,0|2,0,0]=4 2441 B12R1.318 CCNC(=O)CN1CCCC1=O 527a_100015525214_100000189602 [1,1,0,0,0,0|2,0,0]=4 2442 B12R1.353 C=CC(=O)CCN1CCCC1=O 1458a_100000185746_100000742232 [1,1,0,0,0,0|1,0,1]=4 2443 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [1,1,0,0,0,0|2,0,0]=4 2444 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [1,1,0,0,0,0|1,0,0]=3 2445 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000210414_100000742232 [1,1,0,0,0,0|1,0,0]=3 2446 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210202 [1,1,0,0,0,0|1,0,0]=3 2447 B12R1.353 CCC(=O)CCN1CCNC1=O 1458a_100000210414_100000090651 [1,1,0,0,0,0|2,0,0]=4 2448 B12R1.353 CCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210202 [1,1,0,0,0,0|2,0,0]=4 2449 B12R1.353 CCC(=O)COC1CCCC1=O 34a_100000725409_100000709159 [1,1,0,0,0,0|1,0,0]=3 2450 B12R1.353 CCC(=O)COC1CCOC1=O 34a_100000725409_100000211211 [1,1,0,0,0,0|2,0,0]=4 2451 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000211823_100000747405 [1,1,0,0,0,0|1,0,0]=3 2452 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000747405_100000211823 [1,1,0,0,0,0|1,0,0]=3 2453 B12R1.353 CCC(=O)CSC1CCOC1=O 62a_100000211211_100000747405 [1,1,0,0,0,0|2,0,0]=4 2454 B12R1.353 CCC(=O)CSC1CCOC1=O 62a_100000747405_100000211211 [1,1,0,0,0,0|2,0,0]=4 2455 B12R1.353 CCC(C)CNC1CCCC1=O 2230a_100020588543_100000211823 [1,1,0,0,0,0|1,0,1]=4 2456 B12R1.353 CCC(C)COC1CCCC1=O 34a_200000719330_100000748023 [1,1,0,0,0,0|1,0,1]=4 2457 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000211823_100000748023 [1,1,0,0,0,0|1,0,1]=4 2458 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000748023_100000211823 [1,1,0,0,0,0|1,0,1]=4 2459 B12R1.353 CCC(O)CNC1CCCC1=O 2230a_100011218483_100000211823 [1,1,0,0,0,0|1,0,1]=4 2460 B12R1.353 CCC(O)COC1CCCC1=O 34a_200000719330_100011218378 [1,1,0,0,0,0|1,0,1]=4 2461 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100000211823_100011218378 [1,1,0,0,0,0|1,0,1]=4 2462 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100011218378_100000211823 [1,1,0,0,0,0|1,0,1]=4 2463 B12R1.353 CCN(C)CCN1CCCC1=O 2230a_100000225621_100000739059 [1,1,0,0,0,0|2,0,0]=4 2464 B12R1.353 CCN(C)CCN1CCCC1=O 269982a_100000225621_100000739059 [1,1,0,0,0,0|2,0,0]=4 2465 B12R1.353 CC[C@H](C)COC1CCCC1=O 34a_200000719330_100009816398 [1,1,0,0,0,0|1,0,1]=4 2466 B12R1.353 CC[C@H](C)COC1CCCC1=O 7a_100009816381_100000211823 [1,1,0,0,0,0|1,0,1]=4 2467 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100000211823_100009816398 [1,1,0,0,0,0|1,0,1]=4 2468 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100009816398_100000211823 [1,1,0,0,0,0|1,0,1]=4 2469 B12R1.353 CNC(=O)CCC1CCOC1=O 11a_106832991635_100000117037 [1,1,0,0,0,0|2,0,0]=4 2470 B12R1.353 CNC(=O)CCC1CCOC1=O 1626a_100102657272_100000117037 [1,1,0,0,0,0|2,0,0]=4 2471 B12R1.353 CNC(=O)CCC1CCOC1=O 240690a_100102657272_100000117037 [1,1,0,0,0,0|2,0,0]=4 2472 B12R1.353 CNC(=O)CCC1CCOC1=O 527a_100102657272_100000117037 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.353 CNC(=O)CCN1CCCC1=O 11a_106832991635_100000751031 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.353 CNC(=O)CCN1CCCC1=O 1626a_100102657272_100000751031 [1,1,0,0,0,0|2,0,0]=4 2475 B12R1.353 CNC(=O)CCN1CCCC1=O 240690a_100102657272_100000751031 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.353 CNC(=O)CCN1CCCC1=O 527a_100102657272_100000751031 [1,1,0,0,0,0|2,0,0]=4 2477 B12R1.353 CNC(=O)CNC1CCCC1=O 2230a_100000693194_100000211823 [1,1,0,0,0,0|2,0,0]=4 2478 B12R1.353 CNC(=O)COC1CCCC1=O 34a_100000750040_100000709159 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.353 CNC(=O)COC1CCCC1=O 34a_200000719330_100000183359 [1,1,0,0,0,0|2,0,0]=4 2480 B12R1.353 CNC(=O)CSC1CCCC1=O 62a_100000183359_100000211823 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.353 CNC(=O)CSC1CCCC1=O 62a_100000211823_100000183359 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.353 COC(=O)COC1CCCC1=O 34a_200000719330_100000747449 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000211823_100000747449 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000747449_100000211823 [1,1,0,0,0,0|2,0,0]=4 2485 B12R1.353 O=C(CF)CCC1CCOC1=O 1458a_100000117037_100015361967 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.353 O=C(CF)CCN1CCCC1=O 1458a_100000751031_100015361967 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.353 O=C(CO)CCN1CCCC1=O 1458a_100000210174_100000742232 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.456 C/C=C/COC1CC(OC1=O)C 34a_100016270725_200000216747 [1,1,0,0,0,0|2,0,0]=4 2489 B12R1.456 C/C=C/CSC1CC(OC1=O)C 62a_100102629194_200000216747 [1,1,0,0,0,0|2,0,0]=4 2490 B12R1.456 C/C=C/CSC1CC(OC1=O)C 62a_200000216747_100102629194 [1,1,0,0,0,0|2,0,0]=4 2491 B12R1.456 CC=CCSC1CC(OC1=O)C 62a_100000070051_200000216747 [1,1,0,0,0,0|2,0,0]=4 2492 B12R1.456 CC=CCSC1CC(OC1=O)C 62a_200000216747_100000070051 [1,1,0,0,0,0|2,0,0]=4 2493 B12R1.460 CC=CCC(=O)C1CCCC1=O 1458a_100121576822_100000211823 [1,1,0,0,0,0|0,0,1]=3 2494 B12R1.460 CC=CCC(=O)C1CCOC1=O 1458a_100121576822_100000211211 [1,1,0,0,0,0|1,0,1]=4 2495 B12R1.460 CCC=CC(=O)C1CCCC1=O 1458a_100000212282_100000211823 [1,1,0,0,0,0|0,0,1]=3 2496 B12R1.460 CCC=CC(=O)C1CCOC1=O 1458a_100000212282_100000211211 [1,1,0,0,0,0|1,0,1]=4 2497 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [1,1,0,0,0,0|0,0,2]=4 2498 B12R1.460 CCCCN(C)C1CCCC1=O 2230a_100000207549_100000211823 [1,1,0,0,0,0|1,0,1]=4 2499 B12R1.460 CCCCN(C)C1CCCC1=O 269982a_100000207549_100000211823 [1,1,0,0,0,0|1,0,1]=4 2500 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [1,1,0,0,0,0|1,0,1]=4 2501 B12R1.460 CCSCC(=O)C1CCCC1=O 1458a_100000230394_100000211823 [1,1,0,0,0,0|1,0,1]=4 2502 B12R1.460 COC=CC(=O)C1CCCC1=O 1458a_100016268678_100000211823 [1,1,0,0,0,0|1,0,1]=4 2503 B12R1.527 C/C=C/COC1CCN(C1=O)C 34a_100016270725_100000755940 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.527 C/C=C/CSC1CCN(C1=O)C 62a_100000755940_100102629194 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.527 C/C=C/CSC1CCN(C1=O)C 62a_100102629194_100000755940 [1,1,0,0,0,0|2,0,0]=4 2506 B12R1.527 CC=CCSC1CCN(C1=O)C 62a_100000070051_100000755940 [1,1,0,0,0,0|2,0,0]=4 2507 B12R1.527 CC=CCSC1CCN(C1=O)C 62a_100000755940_100000070051 [1,1,0,0,0,0|2,0,0]=4 2508 B12R1.567 C/C=C/CSC1C(=O)CCC1=O 62a_100009820769_100102629194 [1,1,0,0,0,0|1,0,1]=4 2509 B12R1.567 C/C=C/CSC1C(=O)CCC1=O 62a_100102629194_100009820769 [1,1,0,0,0,0|1,0,1]=4 2510 B12R1.567 CC=CCSC1C(=O)CCC1=O 62a_100000070051_100009820769 [1,1,0,0,0,0|1,0,1]=4 2511 B12R1.567 CC=CCSC1C(=O)CCC1=O 62a_100009820769_100000070051 [1,1,0,0,0,0|1,0,1]=4 2512 B12R1.229 CC(C)CNCCC1CCC1=O 2230a_100000210953_200016118888 [0,1,0,0,1,0|1,0,1]=4 2513 B12R1.229 CC(C)CSCCC1CCC1=O 62a_100000210624_200016118888 [0,1,0,0,1,0|1,0,1]=4 2514 B12R1.229 CC(C)CSCCC1CCC1=O 62a_200016118888_100000210760 [0,1,0,0,1,0|1,0,1]=4 2515 B12R1.229 CC(O)CNCCC1CCC1=O 2230a_100000210904_200016118888 [0,1,0,0,1,0|1,0,1]=4 2516 B12R1.229 CC(O)CSCCC1CCC1=O 62a_100011218427_200016118888 [0,1,0,0,1,0|1,0,1]=4 2517 B12R1.229 CC(O)CSCCC1CCC1=O 62a_200016118888_100011218427 [0,1,0,0,1,0|1,0,1]=4 2518 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_100009817552_200016118888 [0,1,0,0,1,0|1,0,1]=4 2519 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_200016118888_100009817552 [0,1,0,0,1,0|1,0,1]=4 2520 B12R1.311 CC#CC(=O)CCC1CCC1=O 1458a_100000763181_200016118888 [0,1,0,0,1,0|0,0,2]=4 2521 B12R1.311 CC=CC(=O)CCC1CCC1=O 1458a_100000210699_200016118888 [0,1,0,0,1,0|0,0,1]=3 2522 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,0,1,0|0,0,1]=3 2523 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100000747444_100009892977 [0,1,0,0,1,0|1,0,1]=4 2524 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100009892977_100000747444 [0,1,0,0,1,0|1,0,1]=4 2525 B12R1.311 CCCN(C)CCC1CCC1=O 2230a_100000747261_200016118888 [0,1,0,0,1,0|1,0,1]=4 2526 B12R1.311 CCCN(C)CCC1CCC1=O 269982a_100000747261_200016118888 [0,1,0,0,1,0|1,0,1]=4 2527 B12R1.311 CCNC(=O)CSC1CCC1=O 62a_100000183381_100009892977 [0,1,0,0,1,0|2,0,0]=4 2528 B12R1.311 CCNC(=O)CSC1CCC1=O 62a_100009892977_100000183381 [0,1,0,0,1,0|2,0,0]=4 2529 B12R1.311 CCOC(=O)CSC1CCC1=O 62a_100000188475_100009892977 [0,1,0,0,1,0|2,0,0]=4 2530 B12R1.311 CCOC(=O)CSC1CCC1=O 62a_100009892977_100000188475 [0,1,0,0,1,0|2,0,0]=4 2531 B12R1.311 COCC(=O)CCC1CCC1=O 1458a_100000210968_200016118888 [0,1,0,0,1,0|1,0,1]=4 2532 B12R1.311 CSCC(=O)CCC1CCC1=O 1458a_100000184570_200016118888 [0,1,0,0,1,0|1,0,1]=4 2533 B12R1.311 O=C(C=CBr)CCC1CCC1=O 1458a_100016273825_200016118888 [0,1,0,0,1,0|1,0,1]=4 2534 B12R1.311 O=C(C=CCl)CCC1CCC1=O 1458a_200016279998_200016118888 [0,1,0,0,1,0|1,0,1]=4 2535 B12R1.311 O=C(C=CI)CCC1CCC1=O 1458a_100016256311_200016118888 [0,1,0,0,1,0|1,0,1]=4 2536 B12R1.311 O=C(CCO)CCC1CCC1=O 1458a_100011216618_200016118888 [0,1,0,0,1,0|1,0,1]=4 2537 B12R1.364 CCC(C)NCCC1CCC1=O 2230a_100000209981_200016118888 [0,1,0,0,1,0|1,0,1]=4 2538 B12R1.364 CCC(C)OCCC1CCC1=O 7a_100000210228_200016118888 [0,1,0,0,1,0|1,0,1]=4 2539 B12R1.364 CCC(C)SCCC1CCC1=O 62a_100000758301_200016118888 [0,1,0,0,1,0|1,0,1]=4 2540 B12R1.364 CCC(C)SCCC1CCC1=O 62a_200016118888_100000758301 [0,1,0,0,1,0|1,0,1]=4 2541 B12R1.383 C/C=C/C=C/COC1CCC1=O 34a_100016283227_100009892977 [0,1,0,0,1,0|0,0,2]=4 2542 B12R1.383 C/C=C/CSCCC1CCC1=O 62a_100102629194_200016118888 [0,1,0,0,1,0|0,0,2]=4 2543 B12R1.383 C/C=C/CSCCC1CCC1=O 62a_200016118888_100102629194 [0,1,0,0,1,0|0,0,2]=4 2544 B12R1.383 CC/C=C\CCOC1CCC1=O 34a_100016288707_100009892977 [0,1,0,0,1,0|0,0,0]=2 2545 B12R1.383 CC/C=C\CCOC1CCC1=O 7a_100016288707_100009892977 [0,1,0,0,1,0|0,0,0]=2 2546 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100009892977_100015370543 [0,1,0,0,1,0|0,0,0]=2 2547 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100015370543_100009892977 [0,1,0,0,1,0|0,0,0]=2 2548 B12R1.383 CC=C=CCCOC1CCC1=O 34a_100011020354_100009892977 [0,1,0,0,1,0|0,0,2]=4 2549 B12R1.383 CC=CCCCOC1CCC1=O 34a_100020645299_100009892977 [0,1,0,0,1,0|0,0,2]=4 2550 B12R1.383 CC=CCSCCC1CCC1=O 62a_100000070051_200016118888 [0,1,0,0,1,0|0,0,2]=4 2551 B12R1.383 CC=CCSCCC1CCC1=O 62a_200016118888_100000070051 [0,1,0,0,1,0|0,0,2]=4 2552 B12R1.383 CCC#CCCOC1CCC1=O 34a_100000036655_100009892977 [0,1,0,0,1,0|0,0,2]=4 2553 B12R1.383 CCC#CCCOC1CCC1=O 7a_100000036655_100009892977 [0,1,0,0,1,0|0,0,2]=4 2554 B12R1.383 CCC/C=C/COC1CCC1=O 34a_100016278788_100009892977 [0,1,0,0,1,0|1,0,0]=3 2555 B12R1.383 CCC/C=C/COC1CCC1=O 7a_100016278788_100009892977 [0,1,0,0,1,0|1,0,0]=3 2556 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,0,1,0|0,0,2]=4 2557 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,0,1,0|0,0,2]=4 2558 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,0,1,0|0,0,2]=4 2559 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,0,1,0|0,0,2]=4 2560 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,0,1,0|0,0,2]=4 2561 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,0,1,0|0,0,2]=4 2562 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,0,1,0|0,0,2]=4 2563 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,0,1,0|0,0,2]=4 2564 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,0,1,0|0,0,2]=4 2565 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [0,1,0,0,1,0|1,0,1]=4 2566 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,1,0,0,1,0|1,0,1]=4 2567 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,1,0,0,1,0|1,0,1]=4 2568 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [0,1,0,0,1,0|1,0,1]=4 2569 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [0,1,0,0,1,0|1,0,1]=4 2570 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,1,0,0,1,0|1,0,1]=4 2571 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,1,0,0,1,0|1,0,1]=4 2572 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [0,1,0,0,1,0|1,0,1]=4 2573 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,1,0,0,1,0|1,0,1]=4 2574 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,1,0,0,1,0|1,0,1]=4 2575 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,1,0,0,1,0|1,0,1]=4 2576 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,1,0,0,1,0|1,0,1]=4 2577 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,1,0,0,1,0|1,0,1]=4 2578 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,1,0,0,1,0|1,0,1]=4 2579 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,1,0,0,1,0|1,0,1]=4 2580 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,1,0,0,1,0|1,0,1]=4 2581 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,1,0,0,1,0|1,0,1]=4 2582 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,1,0,0,1,0|1,0,1]=4 2583 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,1,0,0,1,0|1,0,1]=4 2584 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,1,0,0,1,0|1,0,1]=4 2585 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,1,0,0,1,0|1,0,1]=4 2586 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,1,0,0,1,0|1,0,1]=4 2587 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,1,0,0,1,0|1,0,1]=4 2588 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,1,0,0,1,0|1,0,1]=4 2589 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,1,0,0,1,0|1,0,1]=4 2590 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,1,0,0,1,0|1,0,1]=4 2591 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,1,0,0,1,0|1,0,1]=4 2592 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,1,0,0,1,0|1,0,1]=4 2593 B12R1.485 CC/C=C/CC(=O)C1CCC1=O 1458a_100016274230_100009892977 [0,1,0,0,1,0|0,0,1]=3 2594 B14R1.9 CC/C=C\CCN1CCNC(=O)C1C 2230a_100000750721_100015370543 [0,1,0,0,0,1|2,0,0]=4 2595 B14R1.9 CC/C=C\CCN1CCNC(=O)C1C 269982a_100000750721_100015370543 [0,1,0,0,0,1|2,0,0]=4 2596 B14R1.9 CC/C=C\CCN1CCNC(=O)C1C 34a_100000750721_100015370543 [0,1,0,0,0,1|2,0,0]=4 2597 B14R1.20 CC/C=C\CC(=O)C1CCNC(=O)C1 1458a_100000132800_100103147603 [0,1,0,0,0,1|1,0,1]=4 2598 B14R1.20 CC/C=C\CC(=O)C1CSCC(=O)N1 1458a_100000045068_100103147603 [0,1,0,0,0,1|1,0,1]=4 2599 B14R1.20 CC/C=C\CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100103147603 [0,1,0,0,0,1|0,0,1]=3 2600 B14R1.26 CC/C=C\CCNC1CCCC(C1)C 2230a_100011194320_100015370543 [0,1,0,0,0,1|1,0,1]=4 2601 B14R1.26 CC/C=C\CCNC1CCCC(C1)C 34a_100011194320_100015370543 [0,1,0,0,0,1|1,0,1]=4 2602 B14R1.26 CC/C=C\CCNC1CCCC(C1)O 2230a_100015190357_100015370543 [0,1,0,0,0,1|0,0,2]=4 2603 B14R1.26 CC/C=C\CCNC1CCNC(=O)C1 2230a_100016994916_100015370543 [0,1,0,0,0,1|1,0,0]=3 2604 B14R1.26 CC/C=C\CCNC1CCNC(=O)C1 34a_100016994916_100015370543 [0,1,0,0,0,1|1,0,0]=3 2605 B14R1.26 CC/C=C\CCOC1C=C(CCC1)C 34a_100011218613_100015370543 [0,1,0,0,0,1|1,0,0]=3 2606 B14R1.26 CC/C=C\CCOC1CCCC(=O)C1 34a_100012613340_100015370543 [0,1,0,0,0,1|0,0,0]=2 2607 B14R1.26 CC/C=C\CCOC1CCCC(C1)C 34a_100000211399_100015370543 [0,1,0,0,0,1|1,0,1]=4 2608 B14R1.26 CC/C=C\CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100015370543 [0,1,0,0,0,1|1,0,0]=3 2609 B14R1.26 CC/C=C\CNCC1CCCC(C1)O 2230a_100011254705_100103147603 [0,1,0,0,0,1|0,0,2]=4 2610 B14R1.26 CC/C=C\COCC1CCCC(=O)N1 34a_200000102386_100103147603 [0,1,0,0,0,1|0,0,0]=2 2611 B14R1.26 CC/C=C\COCC1CCCN(C1)C 34a_100016268518_100015183302 [0,1,0,0,0,1|2,0,0]=4 2612 B14R1.26 CC/C=C\COCC1CCNC(=O)C1 34a_100009886756_100103147603 [0,1,0,0,0,1|1,0,0]=3 2613 B14R1.26 CC/C=C\COCC1COCC(=O)N1 34a_200000101122_100103147603 [0,1,0,0,0,1|1,0,0]=3 2614 B14R1.26 CC/C=C\CSCC1CCCN(C1)C 62a_100000752043_100103147603 [0,1,0,0,0,1|2,0,0]=4 2615 B14R1.26 CC/C=C\CSCC1CCCN(C1)C 62a_100103147603_100000752043 [0,1,0,0,0,1|2,0,0]=4 2616 B14R1.26 CCC#CCOCC1CCCC(=O)N1 34a_200000102386_100009813939 [0,1,0,0,0,1|0,0,2]=4 2617 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,1,0,0,0,1|0,0,2]=4 2618 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,1,0,0,0,1|0,0,2]=4 2619 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,1,0,0,0,1|1,0,1]=4 2620 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,1,0,0,0,1|1,0,1]=4 2621 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,1,0,0,0,1|1,0,1]=4 2622 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,1,0,0,0,1|1,0,1]=4 2623 B14R1.32 CCNC(=O)COC1CCCC(=O)C1 34a_100012613340_100000183381 [0,1,0,0,0,1|2,0,0]=4 2624 B14R1.32 CCOC(=O)COC1CCCC(=O)C1 34a_100012613340_100000188475 [0,1,0,0,0,1|2,0,0]=4 2625 B14R1.232 CC/C=C\CCN1CCN(C(=O)C1)C 2230a_100000187256_100015370543 [0,1,0,0,0,1|2,0,0]=4 2626 B14R1.232 CC/C=C\CCN1CCN(C(=O)C1)C 269982a_100000187256_100015370543 [0,1,0,0,0,1|2,0,0]=4 2627 B14R1.232 CC/C=C\CNC1CCN(C(=O)C1)C 2230a_100000126938_100103147603 [0,1,0,0,0,1|2,0,0]=4 2628 B14R1.232 CC/C=C\CNC1CCN(C(=O)C1)C 34a_100000126938_100103147603 [0,1,0,0,0,1|2,0,0]=4 2629 B14R1.598 CCCC(=O)CCN1CCCCC1=O 1458a_100011236303_100000210303 [0,1,0,0,0,1|1,0,1]=4 2630 B14R1.598 CCCC(=O)CNC1CCCNC1=O 2230a_100000747585_100000747444 [0,1,0,0,0,1|1,0,1]=4 2631 B14R1.598 CCCC(=O)CSC1CCCCC1=O 62a_100000204591_100000747444 [0,1,0,0,0,1|1,0,1]=4 2632 B14R1.598 CCCC(=O)CSC1CCCCC1=O 62a_100000747444_100000204591 [0,1,0,0,0,1|1,0,1]=4 2633 B14R1.598 CCCC(=O)CSC1CCCNC1=O 62a_100000687798_100000747444 [0,1,0,0,0,1|1,0,1]=4 2634 B14R1.598 CCCC(=O)CSC1CCCNC1=O 62a_100000747444_100000687798 [0,1,0,0,0,1|1,0,1]=4 2635 B14R1.598 CCCC(=O)CSC1COCCC1=O 62a_100000747444_100012180262 [0,1,0,0,0,1|1,0,1]=4 2636 B14R1.598 CCCC(=O)CSC1COCCC1=O 62a_100012180262_100000747444 [0,1,0,0,0,1|1,0,1]=4 2637 B14R1.598 CCNC(=O)CCN1CCCCC1=O 11a_100015525214_100011236303 [0,1,0,0,0,1|2,0,0]=4 2638 B14R1.598 CCNC(=O)CCN1CCCCC1=O 240690a_100015525214_100011236303 [0,1,0,0,0,1|2,0,0]=4 2639 B14R1.598 CCNC(=O)CCN1CCCCC1=O 527a_100015525214_100011236303 [0,1,0,0,0,1|2,0,0]=4 2640 B14R1.598 CCNC(=O)CNC1CCCNC1=O 2230a_100000747585_100000183381 [0,1,0,0,0,1|2,0,0]=4 2641 B14R1.598 CCNC(=O)CNC1CCCNC1=O 2230a_100016988866_100000687798 [0,1,0,0,0,1|2,0,0]=4 2642 B14R1.598 CCNC(=O)CNC1CCCNC1=O 34a_100000747585_100000183381 [0,1,0,0,0,1|2,0,0]=4 2643 B14R1.598 CCNC(=O)COC1CCCCC1=O 34a_100011214950_100000183381 [0,1,0,0,0,1|2,0,0]=4 2644 B14R1.598 CCNC(=O)COC1CCCNC1=O 34a_100000073722_100000183381 [0,1,0,0,0,1|2,0,0]=4 2645 B14R1.598 CCNC(=O)CSC1CCCCC1=O 62a_100000183381_100000204591 [0,1,0,0,0,1|2,0,0]=4 2646 B14R1.598 CCNC(=O)CSC1CCCCC1=O 62a_100000204591_100000183381 [0,1,0,0,0,1|2,0,0]=4 2647 B14R1.598 CCNC(=O)CSC1CCCNC1=O 62a_100000183381_100000687798 [0,1,0,0,0,1|2,0,0]=4 2648 B14R1.598 CCNC(=O)CSC1CCCNC1=O 62a_100000687798_100000183381 [0,1,0,0,0,1|2,0,0]=4 2649 B14R1.598 CCNC(=O)CSC1COCCC1=O 62a_100000183381_100012180262 [0,1,0,0,0,1|2,0,0]=4 2650 B14R1.598 CCNC(=O)CSC1COCCC1=O 62a_100012180262_100000183381 [0,1,0,0,0,1|2,0,0]=4 2651 B14R1.598 CCOC(=O)CNC1CCCNC1=O 2230a_100000747585_100000188475 [0,1,0,0,0,1|2,0,0]=4 2652 B14R1.598 CCOC(=O)CNC1CCCNC1=O 34a_100000747585_100000188475 [0,1,0,0,0,1|2,0,0]=4 2653 B14R1.598 CCOC(=O)COC1CCCCC1=O 34a_100011214950_100000188475 [0,1,0,0,0,1|2,0,0]=4 2654 B14R1.598 CCOC(=O)COC1CCCNC1=O 34a_100000073722_100000188475 [0,1,0,0,0,1|2,0,0]=4 2655 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000188475_100000204591 [0,1,0,0,0,1|2,0,0]=4 2656 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000204591_100000188475 [0,1,0,0,0,1|2,0,0]=4 2657 B14R1.598 CCOC(=O)CSC1CCCNC1=O 62a_100000188475_100000687798 [0,1,0,0,0,1|2,0,0]=4 2658 B14R1.598 CCOC(=O)CSC1CCCNC1=O 62a_100000687798_100000188475 [0,1,0,0,0,1|2,0,0]=4 2659 B14R1.598 CCOC(=O)CSC1COCCC1=O 62a_100000188475_100012180262 [0,1,0,0,0,1|2,0,0]=4 2660 B14R1.598 CCOC(=O)CSC1COCCC1=O 62a_100012180262_100000188475 [0,1,0,0,0,1|2,0,0]=4 2661 B14R1.774 CC/C=C\CNC1CCC(=O)NC1=O 2230a_100000691121_100103147603 [0,1,0,0,0,1|1,0,1]=4 2662 B14R1.774 CC/C=C\CNC1CCC(=O)NC1=O 34a_100000691121_100103147603 [0,1,0,0,0,1|1,0,1]=4 2663 B14R1.774 CC/C=C\CSC1CCC(=O)NC1=O 62a_100000694648_100103147603 [0,1,0,0,0,1|1,0,1]=4 2664 B14R1.774 CC/C=C\CSC1CCC(=O)NC1=O 62a_100103147603_100000694648 [0,1,0,0,0,1|1,0,1]=4 2665 B14R1.837 CCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210202 [0,1,0,0,0,1|1,0,1]=4 2666 B14R1.837 CCC(=O)COCC1CCCCC1=O 7a_100009861125_100000747405 [0,1,0,0,0,1|1,0,1]=4 2667 B14R1.837 CCC(=O)NCCN1CCCCC1=O 11a_100160573077_100000210414 [0,1,0,0,0,1|2,0,0]=4 2668 B14R1.837 CCC(=O)NCCN1CCCCC1=O 1626a_100160573077_100000210414 [0,1,0,0,0,1|2,0,0]=4 2669 B14R1.837 CCC(=O)NCCN1CCCCC1=O 240690a_100160573077_100000210414 [0,1,0,0,0,1|2,0,0]=4 2670 B14R1.837 CCC(=O)NCCN1CCCCC1=O 527a_100160573077_100000210414 [0,1,0,0,0,1|2,0,0]=4 2671 B14R1.882 C/C=C/C=C/COC1CCCCC1=O 34a_100016283227_100000754470 [0,1,0,0,0,1|0,0,2]=4 2672 B14R1.882 C/C=C/C=C/COC1CCCNC1=O 34a_100016283227_100000687798 [0,1,0,0,0,1|0,0,2]=4 2673 B14R1.882 C/C=C/C=C/COC1COCCC1=O 34a_100016283227_100012180262 [0,1,0,0,0,1|0,0,2]=4 2674 B14R1.882 CC/C=C\CCNC1CCCCC1C 2230a_100000211402_100015370543 [0,1,0,0,0,1|1,0,1]=4 2675 B14R1.882 CC/C=C\CCNC1CCCCC1C 34a_100000211402_100015370543 [0,1,0,0,0,1|1,0,1]=4 2676 B14R1.882 CC/C=C\CCNC1CCCNC1=O 2230a_100000747585_100015370543 [0,1,0,0,0,1|0,0,0]=2 2677 B14R1.882 CC/C=C\CCNC1CCCNC1=O 34a_100000747585_100015370543 [0,1,0,0,0,1|0,0,0]=2 2678 B14R1.882 CC/C=C\CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100015370543 [0,1,0,0,0,1|1,0,1]=4 2679 B14R1.882 CC/C=C\CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015370543 [0,1,0,0,0,1|1,0,1]=4 2680 B14R1.882 CC/C=C\CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100015370543 [0,1,0,0,0,1|0,0,2]=4 2681 B14R1.882 CC/C=C\CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100015370543 [0,1,0,0,0,1|1,0,1]=4 2682 B14R1.882 CC/C=C\CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100015370543 [0,1,0,0,0,1|1,0,1]=4 2683 B14R1.882 CC/C=C\CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100015370543 [0,1,0,0,0,1|0,0,2]=4 2684 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100011214950_100015370543 [0,1,0,0,0,1|0,0,0]=2 2685 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100016288707_100000754470 [0,1,0,0,0,1|0,0,0]=2 2686 B14R1.882 CC/C=C\CCOC1CCCCC1=O 7a_100016288707_100000204591 [0,1,0,0,0,1|0,0,0]=2 2687 B14R1.882 CC/C=C\CCOC1CCCCC1C 34a_100000211207_100015370543 [0,1,0,0,0,1|1,0,1]=4 2688 B14R1.882 CC/C=C\CCOC1CCCCC1C 7a_100000211207_100015370543 [0,1,0,0,0,1|1,0,1]=4 2689 B14R1.882 CC/C=C\CCOC1CCCCC1Cl 34a_100000038908_100015370543 [0,1,0,0,0,1|1,0,1]=4 2690 B14R1.882 CC/C=C\CCOC1CCCCC1Cl 7a_100000038908_100015370543 [0,1,0,0,0,1|1,0,1]=4 2691 B14R1.882 CC/C=C\CCOC1CCCCC1F 34a_100016288707_100015423560 [0,1,0,0,0,1|1,0,1]=4 2692 B14R1.882 CC/C=C\CCOC1CCCCC1O 34a_100016288707_100000038908 [0,1,0,0,0,1|0,0,2]=4 2693 B14R1.882 CC/C=C\CCOC1CCCNC1=O 34a_100000073722_100015370543 [0,1,0,0,0,1|0,0,0]=2 2694 B14R1.882 CC/C=C\CCOC1CCCNC1=O 34a_100016288707_100000687798 [0,1,0,0,0,1|0,0,0]=2 2695 B14R1.882 CC/C=C\CCOC1CCCNC1=O 7a_100016288707_100000687798 [0,1,0,0,0,1|0,0,0]=2 2696 B14R1.882 CC/C=C\CCOC1CCNCC1C 34a_100011998114_100015370543 [0,1,0,0,0,1|1,0,1]=4 2697 B14R1.882 CC/C=C\CCOC1CNCCC1C 34a_100000696640_100015370543 [0,1,0,0,0,1|1,0,1]=4 2698 B14R1.882 CC/C=C\CCOC1COCCC1=O 34a_100016288707_100012180262 [0,1,0,0,0,1|0,0,0]=2 2699 B14R1.882 CC/C=C\CCOC1COCCC1=O 7a_100016288707_100012180262 [0,1,0,0,0,1|0,0,0]=2 2700 B14R1.882 CC/C=C\CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015370543 [0,1,0,0,0,1|1,0,1]=4 2701 B14R1.882 CC/C=C\CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015370543 [0,1,0,0,0,1|1,0,1]=4 2702 B14R1.882 CC/C=C\CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100015370543 [0,1,0,0,0,1|1,0,1]=4 2703 B14R1.882 CC/C=C\CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015370543 [0,1,0,0,0,1|1,0,1]=4 2704 B14R1.882 CC/C=C\CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100015370543 [0,1,0,0,0,1|1,0,1]=4 2705 B14R1.882 CC/C=C\CCO[C@H]1COCC[C@H]1N 34a_100016994285_100015370543 [0,1,0,0,0,1|1,0,1]=4 2706 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100000204591_100015370543 [0,1,0,0,0,1|0,0,0]=2 2707 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100015370543_100000204591 [0,1,0,0,0,1|0,0,0]=2 2708 B14R1.882 CC/C=C\CCSC1CCCCC1F 62a_100015370543_100015423560 [0,1,0,0,0,1|1,0,1]=4 2709 B14R1.882 CC/C=C\CCSC1CCCCC1F 62a_100015423560_100015370543 [0,1,0,0,0,1|1,0,1]=4 2710 B14R1.882 CC/C=C\CCSC1CCCCC1O 62a_100000038908_100015370543 [0,1,0,0,0,1|0,0,2]=4 2711 B14R1.882 CC/C=C\CCSC1CCCCC1O 62a_100015370543_100000038908 [0,1,0,0,0,1|0,0,2]=4 2712 B14R1.882 CC/C=C\CCSC1CCCNC1=O 62a_100000687798_100015370543 [0,1,0,0,0,1|0,0,0]=2 2713 B14R1.882 CC/C=C\CCSC1CCCNC1=O 62a_100015370543_100000687798 [0,1,0,0,0,1|0,0,0]=2 2714 B14R1.882 CC/C=C\CCSC1COCCC1=O 62a_100012180262_100015370543 [0,1,0,0,0,1|0,0,0]=2 2715 B14R1.882 CC/C=C\CCSC1COCCC1=O 62a_100015370543_100012180262 [0,1,0,0,0,1|0,0,0]=2 2716 B14R1.882 CC/C=C\CNCC1CCCCC1O 34a_100011216029_100103147603 [0,1,0,0,0,1|0,0,2]=4 2717 B14R1.882 CC/C=C\CNCC1CCCCN1C 34a_100011228421_100103147603 [0,1,0,0,0,1|2,0,0]=4 2718 B14R1.882 CC/C=C\COCC1CCCCC1=O 34a_100009861125_100103147603 [0,1,0,0,0,1|0,0,0]=2 2719 B14R1.882 CC/C=C\COCC1CCCCC1=O 7a_100009861125_100103147603 [0,1,0,0,0,1|0,0,0]=2 2720 B14R1.882 CC/C=C\COCC1CCCCN1C 34a_100000225079_100103147603 [0,1,0,0,0,1|2,0,0]=4 2721 B14R1.882 CC/C=C\COCC1CCCCN1C 34a_100016268518_100015186950 [0,1,0,0,0,1|2,0,0]=4 2722 B14R1.882 CC/C=C\COCC1COCCC1N 34a_214813039666_100103147603 [0,1,0,0,0,1|1,0,1]=4 2723 B14R1.882 CC/C=C\COCC1COCCN1C 34a_100013547906_100103147603 [0,1,0,0,0,1|2,0,0]=4 2724 B14R1.882 CC/C=C\CSCC1CCCCN1C 62a_100015185383_100103147603 [0,1,0,0,0,1|2,0,0]=4 2725 B14R1.882 CC/C=C\CSCC1CCCCN1C 62a_100103147603_100015185383 [0,1,0,0,0,1|2,0,0]=4 2726 B14R1.882 CC=C=CCCOC1CCCCC1=O 34a_100011020354_100000754470 [0,1,0,0,0,1|0,0,2]=4 2727 B14R1.882 CC=C=CCCOC1CCCNC1=O 34a_100011020354_100000687798 [0,1,0,0,0,1|0,0,2]=4 2728 B14R1.882 CC=C=CCCOC1COCCC1=O 34a_100011020354_100012180262 [0,1,0,0,0,1|0,0,2]=4 2729 B14R1.882 CC=CCCCOC1CCCCC1=O 34a_100020645299_100000754470 [0,1,0,0,0,1|0,0,2]=4 2730 B14R1.882 CC=CCCCOC1CCCNC1=O 34a_100020645299_100000687798 [0,1,0,0,0,1|0,0,2]=4 2731 B14R1.882 CC=CCCCOC1COCCC1=O 34a_100020645299_100012180262 [0,1,0,0,0,1|0,0,2]=4 2732 B14R1.882 CCC#CCCOC1CCCCC1=O 34a_100000036655_100000754470 [0,1,0,0,0,1|0,0,2]=4 2733 B14R1.882 CCC#CCCOC1CCCCC1=O 7a_100000036655_100000204591 [0,1,0,0,0,1|0,0,2]=4 2734 B14R1.882 CCC#CCCOC1CCCNC1=O 34a_100000036655_100000687798 [0,1,0,0,0,1|0,0,2]=4 2735 B14R1.882 CCC#CCCOC1CCCNC1=O 7a_100000036655_100000687798 [0,1,0,0,0,1|0,0,2]=4 2736 B14R1.882 CCC#CCCOC1COCCC1=O 34a_100000036655_100012180262 [0,1,0,0,0,1|0,0,2]=4 2737 B14R1.882 CCC#CCCOC1COCCC1=O 7a_100000036655_100012180262 [0,1,0,0,0,1|0,0,2]=4 2738 B14R1.882 CCC#CCOCC1CCCCC1=O 34a_100009861125_100009813939 [0,1,0,0,0,1|0,0,2]=4 2739 B14R1.882 CCC#CCOCC1CCCCC1=O 7a_100009861125_100009813939 [0,1,0,0,0,1|0,0,2]=4 2740 B14R1.882 CCC/C=C/COC1CCCCC1=O 34a_100016278788_100000754470 [0,1,0,0,0,1|1,0,0]=3 2741 B14R1.882 CCC/C=C/COC1CCCCC1=O 7a_100016278788_100000204591 [0,1,0,0,0,1|1,0,0]=3 2742 B14R1.882 CCC/C=C/COC1CCCNC1=O 34a_100016278788_100000687798 [0,1,0,0,0,1|1,0,0]=3 2743 B14R1.882 CCC/C=C/COC1CCCNC1=O 7a_100016278788_100000687798 [0,1,0,0,0,1|1,0,0]=3 2744 B14R1.882 CCC/C=C/COC1COCCC1=O 34a_100016278788_100012180262 [0,1,0,0,0,1|1,0,0]=3 2745 B14R1.882 CCC/C=C/COC1COCCC1=O 7a_100016278788_100012180262 [0,1,0,0,0,1|1,0,0]=3 2746 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000210581_100000687798 [0,1,0,0,0,1|0,0,2]=4 2747 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000747585_100000210314 [0,1,0,0,0,1|0,0,2]=4 2748 B14R1.882 CCCCCCNC1CCCNC1=O 34a_100000747585_100000210314 [0,1,0,0,0,1|0,0,2]=4 2749 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [0,1,0,0,0,1|0,0,2]=4 2750 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [0,1,0,0,0,1|0,0,2]=4 2751 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [0,1,0,0,0,1|0,0,2]=4 2752 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000073722_100000210314 [0,1,0,0,0,1|0,0,2]=4 2753 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000210259_100000687798 [0,1,0,0,0,1|0,0,2]=4 2754 B14R1.882 CCCCCCOC1CCCNC1=O 7a_100000210259_100000687798 [0,1,0,0,0,1|0,0,2]=4 2755 B14R1.882 CCCCCCOC1COCCC1=O 34a_100000210259_100012180262 [0,1,0,0,0,1|0,0,2]=4 2756 B14R1.882 CCCCCCOC1COCCC1=O 7a_100000210259_100012180262 [0,1,0,0,0,1|0,0,2]=4 2757 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [0,1,0,0,0,1|0,0,2]=4 2758 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [0,1,0,0,0,1|0,0,2]=4 2759 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000210314_100000687798 [0,1,0,0,0,1|0,0,2]=4 2760 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000687798_100000210757 [0,1,0,0,0,1|0,0,2]=4 2761 B14R1.882 CCCCCCSC1COCCC1=O 62a_100000210314_100012180262 [0,1,0,0,0,1|0,0,2]=4 2762 B14R1.882 CCCCCCSC1COCCC1=O 62a_100012180262_100000210757 [0,1,0,0,0,1|0,0,2]=4 2763 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [0,1,0,0,0,1|0,0,2]=4 2764 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [0,1,0,0,0,1|0,0,2]=4 2765 B14R1.882 CCCOCCNC1CCCCC1=O 34a_100161115042_100000754470 [0,1,0,0,0,1|1,0,1]=4 2766 B14R1.882 CCCOCCNC1CCCNC1=O 2230a_100000747585_100011215938 [0,1,0,0,0,1|1,0,1]=4 2767 B14R1.882 CCCOCCNC1CCCNC1=O 2230a_100161115042_100000687798 [0,1,0,0,0,1|1,0,1]=4 2768 B14R1.882 CCCOCCNC1CCCNC1=O 34a_100000747585_100011215938 [0,1,0,0,0,1|1,0,1]=4 2769 B14R1.882 CCCOCCNC1CCCNC1=O 34a_100161115042_100000687798 [0,1,0,0,0,1|1,0,1]=4 2770 B14R1.882 CCCOCCNC1COCCC1=O 34a_100161115042_100012180262 [0,1,0,0,0,1|1,0,1]=4 2771 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100000752267_100000754470 [0,1,0,0,0,1|1,0,1]=4 2772 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100011214950_100011215938 [0,1,0,0,0,1|1,0,1]=4 2773 B14R1.882 CCCOCCOC1CCCCC1=O 7a_100000752267_100000204591 [0,1,0,0,0,1|1,0,1]=4 2774 B14R1.882 CCCOCCOC1CCCNC1=O 34a_100000073722_100011215938 [0,1,0,0,0,1|1,0,1]=4 2775 B14R1.882 CCCOCCOC1CCCNC1=O 34a_100000752267_100000687798 [0,1,0,0,0,1|1,0,1]=4 2776 B14R1.882 CCCOCCOC1CCCNC1=O 7a_100000752267_100000687798 [0,1,0,0,0,1|1,0,1]=4 2777 B14R1.882 CCCOCCOC1COCCC1=O 34a_100000752267_100012180262 [0,1,0,0,0,1|1,0,1]=4 2778 B14R1.882 CCCOCCOC1COCCC1=O 7a_100000752267_100012180262 [0,1,0,0,0,1|1,0,1]=4 2779 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100000204591_100011215938 [0,1,0,0,0,1|1,0,1]=4 2780 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100011215938_100000204591 [0,1,0,0,0,1|1,0,1]=4 2781 B14R1.882 CCCOCCSC1CCCNC1=O 62a_100000687798_100011215938 [0,1,0,0,0,1|1,0,1]=4 2782 B14R1.882 CCCOCCSC1CCCNC1=O 62a_100011215938_100000687798 [0,1,0,0,0,1|1,0,1]=4 2783 B14R1.882 CCCOCCSC1COCCC1=O 62a_100011215938_100012180262 [0,1,0,0,0,1|1,0,1]=4 2784 B14R1.882 CCCOCCSC1COCCC1=O 62a_100012180262_100011215938 [0,1,0,0,0,1|1,0,1]=4 2785 B14R1.882 CCCSCCNC1CCCNC1=O 2230a_100020603323_100000687798 [0,1,0,0,0,1|1,0,1]=4 2786 B14R1.882 CCCSCCOC1CCCCC1=O 34a_200000230433_100000754470 [0,1,0,0,0,1|1,0,1]=4 2787 B14R1.882 CCCSCCOC1CCCCC1=O 7a_200000230433_100000204591 [0,1,0,0,0,1|1,0,1]=4 2788 B14R1.882 CCCSCCOC1CCCNC1=O 34a_200000230433_100000687798 [0,1,0,0,0,1|1,0,1]=4 2789 B14R1.882 CCCSCCOC1CCCNC1=O 7a_200000230433_100000687798 [0,1,0,0,0,1|1,0,1]=4 2790 B14R1.882 CCCSCCOC1COCCC1=O 34a_200000230433_100012180262 [0,1,0,0,0,1|1,0,1]=4 2791 B14R1.882 CCCSCCOC1COCCC1=O 7a_200000230433_100012180262 [0,1,0,0,0,1|1,0,1]=4 2792 B14R1.882 CCOCCCNC1CCCCC1=O 34a_100000210961_100000754470 [0,1,0,0,0,1|1,0,1]=4 2793 B14R1.882 CCOCCCNC1CCCNC1=O 2230a_100000210961_100000687798 [0,1,0,0,0,1|1,0,1]=4 2794 B14R1.882 CCOCCCNC1CCCNC1=O 2230a_100000747585_100012232248 [0,1,0,0,0,1|1,0,1]=4 2795 B14R1.882 CCOCCCNC1CCCNC1=O 34a_100000210961_100000687798 [0,1,0,0,0,1|1,0,1]=4 2796 B14R1.882 CCOCCCNC1CCCNC1=O 34a_100000747585_100012232248 [0,1,0,0,0,1|1,0,1]=4 2797 B14R1.882 CCOCCCNC1COCCC1=O 34a_100000210961_100012180262 [0,1,0,0,0,1|1,0,1]=4 2798 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100000757476_100000754470 [0,1,0,0,0,1|1,0,1]=4 2799 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100011214950_100012232248 [0,1,0,0,0,1|1,0,1]=4 2800 B14R1.882 CCOCCCOC1CCCCC1=O 7a_100000757476_100000204591 [0,1,0,0,0,1|1,0,1]=4 2801 B14R1.882 CCOCCCOC1CCCNC1=O 34a_100000073722_100012232248 [0,1,0,0,0,1|1,0,1]=4 2802 B14R1.882 CCOCCCOC1CCCNC1=O 34a_100000757476_100000687798 [0,1,0,0,0,1|1,0,1]=4 2803 B14R1.882 CCOCCCOC1CCCNC1=O 7a_100000757476_100000687798 [0,1,0,0,0,1|1,0,1]=4 2804 B14R1.882 CCOCCCOC1COCCC1=O 34a_100000757476_100012180262 [0,1,0,0,0,1|1,0,1]=4 2805 B14R1.882 CCOCCCOC1COCCC1=O 7a_100000757476_100012180262 [0,1,0,0,0,1|1,0,1]=4 2806 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100000204591_100012232248 [0,1,0,0,0,1|1,0,1]=4 2807 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100012232248_100000204591 [0,1,0,0,0,1|1,0,1]=4 2808 B14R1.882 CCOCCCSC1CCCNC1=O 62a_100000687798_100012232248 [0,1,0,0,0,1|1,0,1]=4 2809 B14R1.882 CCOCCCSC1CCCNC1=O 62a_100012232248_100000687798 [0,1,0,0,0,1|1,0,1]=4 2810 B14R1.882 CCOCCCSC1COCCC1=O 62a_100012180262_100012232248 [0,1,0,0,0,1|1,0,1]=4 2811 B14R1.882 CCOCCCSC1COCCC1=O 62a_100012232248_100012180262 [0,1,0,0,0,1|1,0,1]=4 2812 B14R1.882 CCOCCOCC1CCCCC1=O 34a_100009861125_100000210147 [0,1,0,0,0,1|1,0,1]=4 2813 B14R1.882 CCOCCOCC1CCCCC1=O 7a_100009861125_100011215890 [0,1,0,0,0,1|1,0,1]=4 2814 B14R1.882 CCSCCCOC1CCCCC1=O 34a_100011216438_100000754470 [0,1,0,0,0,1|1,0,1]=4 2815 B14R1.882 CCSCCCOC1CCCCC1=O 7a_100011216438_100000204591 [0,1,0,0,0,1|1,0,1]=4 2816 B14R1.882 CCSCCCOC1CCCNC1=O 34a_100011216438_100000687798 [0,1,0,0,0,1|1,0,1]=4 2817 B14R1.882 CCSCCCOC1CCCNC1=O 7a_100011216438_100000687798 [0,1,0,0,0,1|1,0,1]=4 2818 B14R1.882 CCSCCCOC1COCCC1=O 34a_100011216438_100012180262 [0,1,0,0,0,1|1,0,1]=4 2819 B14R1.882 CCSCCCOC1COCCC1=O 7a_100011216438_100012180262 [0,1,0,0,0,1|1,0,1]=4 2820 B14R1.882 CCSCCOCC1CCCCC1=O 34a_100009861125_100000757381 [0,1,0,0,0,1|1,0,1]=4 2821 B14R1.882 CCSCCOCC1CCCCC1=O 7a_100009861125_100000757381 [0,1,0,0,0,1|1,0,1]=4 2822 B14R1.946 CCC=CC(=O)NC1CCCNC1=O 11a_100000747585_100000212282 [0,1,0,0,0,1|1,0,1]=4 2823 B14R1.946 CCC=CC(=O)NC1CCCNC1=O 1626a_100000747585_100000212282 [0,1,0,0,0,1|1,0,1]=4 2824 B14R1.946 CCC=CC(=O)NC1CCCNC1=O 240690a_100000747585_100000212282 [0,1,0,0,0,1|1,0,1]=4 2825 B14R1.1035 CC/C=C/CC(=O)C1CCCCC1=O 1458a_100016274230_100000204591 [0,1,0,0,0,1|0,0,1]=3 2826 B14R1.1035 CC/C=C/CC(=O)C1CCCNC1=O 1458a_100016274230_100000687798 [0,1,0,0,0,1|0,0,1]=3 2827 B14R1.1035 CC/C=C/CC(=O)C1COCCC1=O 1458a_100016274230_100012180262 [0,1,0,0,0,1|0,0,1]=3 2828 B14R1.1035 CC/C=C\CC(=O)C1CCCNC1=O 1458a_100000087122_100103147603 [0,1,0,0,0,1|0,0,1]=3 2829 B14R1.20339 CC/C=C\CSC1C(=O)CCCC1=O 62a_100009814513_100103147603 [0,1,0,0,0,1|1,0,0]=3 2830 B14R1.20339 CC/C=C\CSC1C(=O)CCCC1=O 62a_100103147603_100009814513 [0,1,0,0,0,1|1,0,0]=3 2831 B14R1.62 CC/C=C\CCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100015370543 [0,2,0,0,0,0|1,0,1]=4 2832 B14R1.62 CC/C=C\CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100015370543 [0,2,0,0,0,0|1,0,1]=4 2833 B14R1.62 CC/C=C\CNCC1CCCN1CC 2230a_100000211693_100103147603 [0,2,0,0,0,0|2,0,0]=4 2834 B14R1.62 CC/C=C\COC[C@H]1CCCN1CC 34a_100011739246_100103147603 [0,2,0,0,0,0|2,0,0]=4 2835 B14R1.62 CC/C=C\COC[C@H]1CCCN1CC 7a_100011739246_100103147603 [0,2,0,0,0,0|2,0,0]=4 2836 B14R1.233 CC/C=C\CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100015370543 [0,2,0,0,0,0|1,0,1]=4 2837 B14R1.233 CC/C=C\CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100015370543 [0,2,0,0,0,0|1,0,1]=4 2838 B14R1.167 CC(=CC(=O)CCN1CCCC1=O)C 1458a_100000211388_100000742232 [0,2,0,0,0,0|1,0,1]=4 2839 B14R1.167 CC(=CC(=O)CCN1CCCC1=O)Cl 1458a_200042562850_100000742232 [0,2,0,0,0,0|1,0,1]=4 2840 B14R1.167 CC(=CC(=O)CCN1CCCC1=O)I 1458a_100025716642_100000742232 [0,2,0,0,0,0|1,0,1]=4 2841 B14R1.167 CC(C)CC(=O)CCC1CCOC1=O 1458a_100000117037_100000210624 [0,2,0,0,0,0|1,0,1]=4 2842 B14R1.167 CC(C)CC(=O)CCN1CCCC1=O 1458a_100000210554_100000742232 [0,2,0,0,0,0|1,0,1]=4 2843 B14R1.167 CC(C)CC(=O)CCN1CCCC1=O 1458a_100000751031_100000210624 [0,2,0,0,0,0|1,0,1]=4 2844 B14R1.167 CC(C)NC(=O)CCC1CCOC1=O 11a_100138425928_100000117037 [0,2,0,0,0,0|2,0,0]=4 2845 B14R1.167 CC(C)NC(=O)CCC1CCOC1=O 1626a_100138425928_100000117037 [0,2,0,0,0,0|2,0,0]=4 2846 B14R1.167 CC(C)NC(=O)CCC1CCOC1=O 240690a_100138425928_100000117037 [0,2,0,0,0,0|2,0,0]=4 2847 B14R1.167 CC(C)NC(=O)CCC1CCOC1=O 527a_100138425928_100000117037 [0,2,0,0,0,0|2,0,0]=4 2848 B14R1.167 CC(C)NC(=O)CCN1CCCC1=O 11a_100138425928_100000751031 [0,2,0,0,0,0|2,0,0]=4 2849 B14R1.167 CC(C)NC(=O)CCN1CCCC1=O 1626a_100138425928_100000751031 [0,2,0,0,0,0|2,0,0]=4 2850 B14R1.167 CC(C)NC(=O)CCN1CCCC1=O 240690a_100138425928_100000751031 [0,2,0,0,0,0|2,0,0]=4 2851 B14R1.167 CC(C)NC(=O)CCN1CCCC1=O 527a_100138425928_100000751031 [0,2,0,0,0,0|2,0,0]=4 2852 B14R1.167 CC(C)NC(=O)CNC1CCCC1=O 2230a_100000168517_100000211823 [0,2,0,0,0,0|2,0,0]=4 2853 B14R1.167 CC(C)NC(=O)COC1CCCC1=O 34a_200000719330_100000183996 [0,2,0,0,0,0|2,0,0]=4 2854 B14R1.167 CC(C)NC(=O)CSC1CCCC1=O 62a_100000183996_100000211823 [0,2,0,0,0,0|2,0,0]=4 2855 B14R1.167 CC(C)NC(=O)CSC1CCCC1=O 62a_100000211823_100000183996 [0,2,0,0,0,0|2,0,0]=4 2856 B14R1.167 CC(C)OC(=O)COC1CCCC1=O 34a_200000719330_100011215430 [0,2,0,0,0,0|2,0,0]=4 2857 B14R1.167 CC(C)OC(=O)CSC1CCCC1=O 62a_100000211823_100011215430 [0,2,0,0,0,0|2,0,0]=4 2858 B14R1.167 CC(C)OC(=O)CSC1CCCC1=O 62a_100011215430_100000211823 [0,2,0,0,0,0|2,0,0]=4 2859 B14R1.167 CC(O)CC(=O)CCC1CCOC1=O 1458a_100000117037_100011218427 [0,2,0,0,0,0|1,0,1]=4 2860 B14R1.167 CC(O)CC(=O)CCN1CCCC1=O 1458a_100000751031_100011218427 [0,2,0,0,0,0|1,0,1]=4 2861 B14R1.167 C[C@@H](O)CC(=O)CCN1CCCC1=O 1458a_100011933948_100000742232 [0,2,0,0,0,0|1,0,1]=4 2862 B14R1.239 CC(C)C(=O)NCCN1CCCC1=O 11a_100011200922_100000210198 [0,2,0,0,0,0|2,0,0]=4 2863 B14R1.239 CC(C)C(=O)NCCN1CCCC1=O 1626a_100011200922_100000210198 [0,2,0,0,0,0|2,0,0]=4 2864 B14R1.239 CC(C)C(=O)NCCN1CCCC1=O 240690a_100011200922_100000210198 [0,2,0,0,0,0|2,0,0]=4 2865 B14R1.239 CC(C)C(=O)NCCN1CCCC1=O 527a_100011200922_100000210198 [0,2,0,0,0,0|2,0,0]=4 2866 B14R1.239 CC(C)C(=O)OCSC1CCCC1=O 62a_100000139345_100000211823 [0,2,0,0,0,0|2,0,0]=4 2867 B14R1.239 CC(C)C(=O)OCSC1CCCC1=O 62a_100000211823_100000139345 [0,2,0,0,0,0|2,0,0]=4 2868 B14R1.239 CC(F)C(=O)NCCN1CCCC1=O 11a_100011200922_100000062450 [0,2,0,0,0,0|2,0,0]=4 2869 B14R1.239 CC(F)C(=O)NCCN1CCCC1=O 1626a_100011200922_100000062450 [0,2,0,0,0,0|2,0,0]=4 2870 B14R1.239 CC(F)C(=O)NCCN1CCCC1=O 240690a_100011200922_100000062450 [0,2,0,0,0,0|2,0,0]=4 2871 B14R1.239 CC(F)C(=O)NCCN1CCCC1=O 527a_100011200922_100000062450 [0,2,0,0,0,0|2,0,0]=4 2872 B14R1.239 C[C@@H](O)C(=O)NCCN1CCCC1=O 240690a_100011200922_100000717761 [0,2,0,0,0,0|2,0,0]=4 2873 B14R1.239 C[C@H](O)C(=O)NCCN1CCCC1=O 1626a_100011200922_217856618621 [0,2,0,0,0,0|2,0,0]=4 2874 B14R1.239 C[C@H](O)C(=O)NCCN1CCCC1=O 240690a_100011200922_217856618621 [0,2,0,0,0,0|2,0,0]=4 2875 B14R1.330 C[Si](C)(C)/C=C/COC1CCCC1=O 7a_200016270829_100000211823 [0,2,0,0,0,0|1,1,0]=4 2876 B14R1.330 O=C1CCCC1OCC=CC(F)(F)F 34a_100000001234_100000709159 [0,2,0,0,0,0|2,0,0]=4 2877 B14R1.819 CCC(=O)COCCN1CCCC1=O 34a_100000725409_100000739059 [0,2,0,0,0,0|1,0,1]=4 2878 B14R1.819 CCC(=O)COCCN1CCCC1=O 7a_100000211209_100000747405 [0,2,0,0,0,0|1,0,1]=4 2879 B14R1.819 CCC(=O)CSCCN1CCCC1=O 62a_100000739059_100000747405 [0,2,0,0,0,0|1,0,1]=4 2880 B14R1.819 CCC(=O)CSCCN1CCCC1=O 62a_100000747405_100000739059 [0,2,0,0,0,0|1,0,1]=4 2881 B14R1.819 CCC(=O)NCCCN1CCCC1=O 11a_100000210347_100000210414 [0,2,0,0,0,0|1,0,1]=4 2882 B14R1.819 CCC(=O)NCCCN1CCCC1=O 1626a_100000210347_100000210414 [0,2,0,0,0,0|1,0,1]=4 2883 B14R1.819 CCC(=O)NCCCN1CCCC1=O 240690a_100000210347_100000210414 [0,2,0,0,0,0|1,0,1]=4 2884 B14R1.819 CCC(=O)NCCCN1CCCC1=O 527a_100000210347_100000210414 [0,2,0,0,0,0|1,0,1]=4 2885 B14R1.819 CCC(=O)NCCNC1CCCC1=O 34a_100132302217_100000709159 [0,2,0,0,0,0|1,0,0]=3 2886 B14R1.819 CCC(=O)NCCNC1CCOC1=O 34a_100132302217_100000211211 [0,2,0,0,0,0|2,0,0]=4 2887 B14R1.819 CCC(=O)NCCOC1CCCC1=O 34a_200000158885_100000709159 [0,2,0,0,0,0|1,0,0]=3 2888 B14R1.819 CCC(=O)NCCOC1CCCC1=O 7a_200000158885_100000211823 [0,2,0,0,0,0|1,0,0]=3 2889 B14R1.819 CCC(=O)NCCOC1CCOC1=O 34a_200000158885_100000211211 [0,2,0,0,0,0|2,0,0]=4 2890 B14R1.819 CCC(=O)NCCOC1CCOC1=O 7a_200000158885_100000211211 [0,2,0,0,0,0|2,0,0]=4 2891 B14R1.819 CCC(=O)OCCOC1CCCC1=O 7a_200000031056_100000211823 [0,2,0,0,0,0|1,0,0]=3 2892 B14R1.819 CCC(=O)OCCOC1CCOC1=O 7a_200000031056_100000211211 [0,2,0,0,0,0|2,0,0]=4 2893 B14R1.819 CCC(C)CCCOC1CCCC1=O 7a_100011216074_100000211823 [0,2,0,0,0,0|0,0,2]=4 2894 B14R1.819 CCN(C)CCCSC1CCCC1=O 62a_100000211823_100015186262 [0,2,0,0,0,0|1,0,1]=4 2895 B14R1.819 CNC(=O)CCCNC1CCCC1=O 2230a_100000740002_100000211823 [0,2,0,0,0,0|1,0,1]=4 2896 B14R1.819 CNC(=O)CCCNC1CCCC1=O 34a_100000740002_100000709159 [0,2,0,0,0,0|1,0,1]=4 2897 B14R1.819 CNC(=O)CCCOC1CCCC1=O 34a_200000719330_100000741757 [0,2,0,0,0,0|1,0,1]=4 2898 B14R1.819 CNC(=O)CCCSC1CCCC1=O 62a_100000211823_100000741757 [0,2,0,0,0,0|1,0,1]=4 2899 B14R1.819 CNC(=O)CCCSC1CCCC1=O 62a_100000741757_100000211823 [0,2,0,0,0,0|1,0,1]=4 2900 B14R1.819 CNC(=O)NCCNC1CCCC1=O 34a_100015205895_100000709159 [0,2,0,0,0,0|2,0,0]=4 2901 B14R1.819 CNC(=O)OCCOC1CCCC1=O 34a_200000719330_200011997002 [0,2,0,0,0,0|2,0,0]=4 2902 B14R1.819 CNC(=O)OCCSC1CCCC1=O 62a_100000211823_200011997002 [0,2,0,0,0,0|2,0,0]=4 2903 B14R1.819 CNC(=O)OCCSC1CCCC1=O 62a_200011997002_100000211823 [0,2,0,0,0,0|2,0,0]=4 2904 B14R1.819 COC(=O)/C=C/COC1CCCC1=O 34a_200000719330_100000742655 [0,2,0,0,0,0|1,0,1]=4 2905 B14R1.819 COC(=O)/C=C/CSC1CCCC1=O 62a_100000211823_100000742655 [0,2,0,0,0,0|1,0,1]=4 2906 B14R1.819 COC(=O)/C=C/CSC1CCCC1=O 62a_100000742655_100000211823 [0,2,0,0,0,0|1,0,1]=4 2907 B14R1.819 COC(=O)CCCOC1CCCC1=O 34a_200000719330_100000742333 [0,2,0,0,0,0|1,0,1]=4 2908 B14R1.819 COC(=O)CCCSC1CCCC1=O 62a_100000211823_100011218270 [0,2,0,0,0,0|1,0,1]=4 2909 B14R1.819 COC(=O)CCCSC1CCCC1=O 62a_100011218270_100000211823 [0,2,0,0,0,0|1,0,1]=4 2910 B14R1.819 COC(=O)NCCOC1CCCC1=O 34a_100000757965_100000709159 [0,2,0,0,0,0|2,0,0]=4 2911 B14R1.819 COC(=O)OCCOC1CCCC1=O 34a_100010262106_100000709159 [0,2,0,0,0,0|2,0,0]=4 2912 B14R1.4488 CC(C)/C=C/CC(=O)C1CCCC1=O 1458a_100016292215_100000211823 [0,2,0,0,0,0|0,0,1]=3 2913 B14R1.4488 CC(C)/C=C/CC(=O)C1CCOC1=O 1458a_100016292215_100000211211 [0,2,0,0,0,0|1,0,1]=4 2914 B14R1.1041 CC/C=C/CC(=O)C1CC(OC1=O)C 1458a_100016274230_200000216747 [0,2,0,0,0,0|1,0,1]=4 2915 B14R1.3126 CC/C=C\CCNC1CC(=O)NC1=O 2230a_100102712934_100015370543 [0,2,0,0,0,0|1,0,1]=4 2916 B14R1.3126 CC/C=C\CCOC1CC(OC1=O)C 34a_100016288707_200000216747 [0,2,0,0,0,0|1,0,0]=3 2917 B14R1.3126 CC/C=C\CCOC1CC(OC1=O)C 7a_100016288707_200000216747 [0,2,0,0,0,0|1,0,0]=3 2918 B14R1.3126 CC/C=C\CCSC1CC(OC1=O)C 62a_100015370543_200000216747 [0,2,0,0,0,0|1,0,0]=3 2919 B14R1.3126 CC/C=C\CCSC1CC(OC1=O)C 62a_200000216747_100015370543 [0,2,0,0,0,0|1,0,0]=3 2920 B14R1.3126 CCC/C=C/COC1CC(OC1=O)C 34a_100016278788_200000216747 [0,2,0,0,0,0|2,0,0]=4 2921 B14R1.3126 CCC/C=C/COC1CC(OC1=O)C 7a_100016278788_200000216747 [0,2,0,0,0,0|2,0,0]=4 2922 B14R1.3129 CC/C=C\CCNC1CCCC1(F)F 2230a_100000767123_100015370543 [0,2,0,0,0,0|1,0,1]=4 2923 B14R1.3129 CC/C=C\CCNC1CCCC1(F)F 34a_100000767123_100015370543 [0,2,0,0,0,0|1,0,1]=4 2924 B14R1.3129 CC/C=C\CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100015370543 [0,2,0,0,0,0|0,0,2]=4 2925 B14R1.3129 CC/C=C\CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100015370543 [0,2,0,0,0,0|0,0,2]=4 2926 B14R1.3129 CC/C=C\CCOC1CCCC1(C)C 34a_100000726220_100015370543 [0,2,0,0,0,0|1,0,1]=4 2927 B14R1.3129 CC/C=C\CCOC1CCCC1(C)C 7a_100000726220_100015370543 [0,2,0,0,0,0|1,0,1]=4 2928 B14R1.3129 CC/C=C\CCOC1CCCC1(F)F 34a_100016288707_100119073726 [0,2,0,0,0,0|1,0,1]=4 2929 B14R1.3129 CC/C=C\CCSC1CCCC1(F)F 62a_100015370543_100119073726 [0,2,0,0,0,0|1,0,1]=4 2930 B14R1.3129 CC/C=C\CCSC1CCCC1(F)F 62a_100119073726_100015370543 [0,2,0,0,0,0|1,0,1]=4 2931 B14R1.6508 CC/C=C\CO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100103147603 [0,2,0,0,0,0|2,0,0]=4 2932 B14R1.6508 CC/C=C\CO[C@H]1C(=O)OCC1(C)C 7a_100009815050_100103147603 [0,2,0,0,0,0|2,0,0]=4 2933 B14R1.916 C/C=C/CC(=O)CCC1CCOC1=O 1458a_100000117037_100102629194 [0,2,0,0,0,0|1,0,1]=4 2934 B14R1.916 C/C=C/CC(=O)CCN1CCCC1=O 1458a_100000751031_100102629194 [0,2,0,0,0,0|1,0,1]=4 2935 B14R1.916 C=C(COC1CCCC1=O)OCOC 34a_200000719330_100000042856 [0,2,0,0,0,0|2,0,0]=4 2936 B14R1.916 C=C(CSC1CCCC1=O)OCOC 62a_100000042856_100000211823 [0,2,0,0,0,0|2,0,0]=4 2937 B14R1.916 C=C(CSC1CCCC1=O)OCOC 62a_100000211823_100000042856 [0,2,0,0,0,0|2,0,0]=4 2938 B14R1.916 CC=CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000070051 [0,2,0,0,0,0|1,0,1]=4 2939 B14R1.916 CC=CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000070051 [0,2,0,0,0,0|1,0,1]=4 2940 B14R1.916 CC=CCC(=O)CCN1CCCC1=O 1458a_100121576822_100000742232 [0,2,0,0,0,0|1,0,1]=4 2941 B14R1.916 CCC#CC(=O)CCN1CCCC1=O 1458a_100011827653_100000742232 [0,2,0,0,0,0|1,0,1]=4 2942 B14R1.916 CCC=CC(=O)CCC1CCCN1C 1458a_100000212282_100000005710 [0,2,0,0,0,0|2,0,0]=4 2943 B14R1.916 CCC=CC(=O)CCN1CCCC1=O 1458a_100000212282_100000742232 [0,2,0,0,0,0|1,0,0]=3 2944 B14R1.916 CCC=CC(=O)CCN1CCNC1=O 1458a_100000212282_100000090651 [0,2,0,0,0,0|2,0,0]=4 2945 B14R1.916 CCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210211 [0,2,0,0,0,0|1,0,1]=4 2946 B14R1.916 CCCCC(=O)CCN1CCCC1=O 1458a_100000210183_100000742232 [0,2,0,0,0,0|1,0,1]=4 2947 B14R1.916 CCCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210211 [0,2,0,0,0,0|1,0,1]=4 2948 B14R1.916 CCCCC(C)COC1CCCC1=O 34a_100011995851_100000709159 [0,2,0,0,0,0|0,0,2]=4 2949 B14R1.916 CCCCC(C)COC1CCCC1=O 7a_100011995851_100000211823 [0,2,0,0,0,0|0,0,2]=4 2950 B14R1.916 CCCC[C@H](N)COC1CCCC1=O 34a_100011934283_100000709159 [0,2,0,0,0,0|0,0,2]=4 2951 B14R1.916 CCCNC(=O)CCC1CCOC1=O 11a_100020643023_100000117037 [0,2,0,0,0,0|1,0,1]=4 2952 B14R1.916 CCCNC(=O)CCC1CCOC1=O 1626a_100020643023_100000117037 [0,2,0,0,0,0|1,0,1]=4 2953 B14R1.916 CCCNC(=O)CCC1CCOC1=O 240690a_100020643023_100000117037 [0,2,0,0,0,0|1,0,1]=4 2954 B14R1.916 CCCNC(=O)CCC1CCOC1=O 527a_100020643023_100000117037 [0,2,0,0,0,0|1,0,1]=4 2955 B14R1.916 CCCNC(=O)CCN1CCCC1=O 11a_100020643023_100000751031 [0,2,0,0,0,0|1,0,1]=4 2956 B14R1.916 CCCNC(=O)CCN1CCCC1=O 1626a_100020643023_100000751031 [0,2,0,0,0,0|1,0,1]=4 2957 B14R1.916 CCCNC(=O)CCN1CCCC1=O 240690a_100020643023_100000751031 [0,2,0,0,0,0|1,0,1]=4 2958 B14R1.916 CCCNC(=O)CCN1CCCC1=O 527a_100020643023_100000751031 [0,2,0,0,0,0|1,0,1]=4 2959 B14R1.916 CCCNC(=O)CNC1CCCC1=O 2230a_100000174927_100000211823 [0,2,0,0,0,0|1,0,1]=4 2960 B14R1.916 CCCNC(=O)COC1CCCC1=O 34a_200000719330_100000183358 [0,2,0,0,0,0|1,0,1]=4 2961 B14R1.916 CCCNC(=O)CSC1CCCC1=O 62a_100000183358_100000211823 [0,2,0,0,0,0|1,0,1]=4 2962 B14R1.916 CCCNC(=O)CSC1CCCC1=O 62a_100000211823_100000183358 [0,2,0,0,0,0|1,0,1]=4 2963 B14R1.916 CCCOC(=O)COC1CCCC1=O 34a_200000719330_200011215008 [0,2,0,0,0,0|1,0,1]=4 2964 B14R1.916 CCCOC(=O)CSC1CCCC1=O 62a_100000211823_200011215008 [0,2,0,0,0,0|1,0,1]=4 2965 B14R1.916 CCCOC(=O)CSC1CCCC1=O 62a_200011215008_100000211823 [0,2,0,0,0,0|1,0,1]=4 2966 B14R1.916 CCCOC(C)CNC1CCCC1=O 2230a_100015185124_100000211823 [0,2,0,0,0,0|1,0,1]=4 2967 B14R1.916 CCCOC(C)CNC1CCCC1=O 34a_100015185124_100000709159 [0,2,0,0,0,0|1,0,1]=4 2968 B14R1.916 CCNNC(=O)CCC1CCOC1=O 22a_100000756455_100000117037 [0,2,0,0,0,0|2,0,0]=4 2969 B14R1.916 CCNNC(=O)CCN1CCCC1=O 22a_100000756455_100000751031 [0,2,0,0,0,0|2,0,0]=4 2970 B14R1.916 CCOCC(=O)CCN1CCCC1=O 1458a_100000211967_100000742232 [0,2,0,0,0,0|1,0,1]=4 2971 B14R1.916 CCOCC(O)CNC1CCCC1=O 2230a_102515437182_100000211823 [0,2,0,0,0,0|1,0,1]=4 2972 B14R1.916 CCOCC(O)CNC1CCCC1=O 34a_102515437182_100000709159 [0,2,0,0,0,0|1,0,1]=4 2973 B14R1.916 CCSCC(=O)CCN1CCCC1=O 1458a_100000230394_100000742232 [0,2,0,0,0,0|1,0,1]=4 2974 B14R1.916 COC=CC(=O)CCN1CCCC1=O 1458a_100016268678_100000742232 [0,2,0,0,0,0|1,0,1]=4 2975 B14R1.916 COCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000233755 [0,2,0,0,0,0|1,0,1]=4 2976 B14R1.916 COCCC(=O)CCN1CCCC1=O 1458a_100000749529_100000742232 [0,2,0,0,0,0|1,0,1]=4 2977 B14R1.916 COCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000233755 [0,2,0,0,0,0|1,0,1]=4 2978 B14R1.916 CSCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000751147 [0,2,0,0,0,0|1,0,1]=4 2979 B14R1.916 CSCCC(=O)CCN1CCCC1=O 1458a_100000174002_100000742232 [0,2,0,0,0,0|1,0,1]=4 2980 B14R1.916 CSCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000751147 [0,2,0,0,0,0|1,0,1]=4 2981 B14R1.916 O=C(CCC1CCOC1=O)NCCF 11a_100000724931_100000117037 [0,2,0,0,0,0|2,0,0]=4 2982 B14R1.916 O=C(CCC1CCOC1=O)NCCF 1626a_100000724931_100000117037 [0,2,0,0,0,0|2,0,0]=4 2983 B14R1.916 O=C(CCC1CCOC1=O)NCCF 240690a_100000724931_100000117037 [0,2,0,0,0,0|2,0,0]=4 2984 B14R1.916 O=C(CCC1CCOC1=O)NCCF 527a_100000724931_100000117037 [0,2,0,0,0,0|2,0,0]=4 2985 B14R1.916 O=C(CCC1CCOC1=O)NCCO 240690a_100000210304_100000117037 [0,2,0,0,0,0|2,0,0]=4 2986 B14R1.916 O=C(CCC1CCOC1=O)NCCO 527a_100000210304_100000117037 [0,2,0,0,0,0|2,0,0]=4 2987 B14R1.916 O=C(CCCF)CCC1CCOC1=O 1458a_100000117037_100011934791 [0,2,0,0,0,0|1,0,1]=4 2988 B14R1.916 O=C(CCCF)CCN1CCCC1=O 1458a_100000751031_100011934791 [0,2,0,0,0,0|1,0,1]=4 2989 B14R1.916 O=C(CCCO)CCC1CCOC1=O 1458a_100000117037_100011215043 [0,2,0,0,0,0|1,0,1]=4 2990 B14R1.916 O=C(CCCO)CCN1CCCC1=O 1458a_100000751031_100011215043 [0,2,0,0,0,0|1,0,1]=4 2991 B14R1.916 O=C(CCN1CCCC1=O)NCCF 11a_100000724931_100000751031 [0,2,0,0,0,0|2,0,0]=4 2992 B14R1.916 O=C(CCN1CCCC1=O)NCCF 1626a_100000724931_100000751031 [0,2,0,0,0,0|2,0,0]=4 2993 B14R1.916 O=C(CCN1CCCC1=O)NCCF 240690a_100000724931_100000751031 [0,2,0,0,0,0|2,0,0]=4 2994 B14R1.916 O=C(CCN1CCCC1=O)NCCF 527a_100000724931_100000751031 [0,2,0,0,0,0|2,0,0]=4 2995 B14R1.916 O=C(CCN1CCCC1=O)NCCO 240690a_100000210304_100000751031 [0,2,0,0,0,0|2,0,0]=4 2996 B14R1.916 O=C(CCN1CCCC1=O)NCCO 527a_100000210304_100000751031 [0,2,0,0,0,0|2,0,0]=4 2997 B14R1.916 O=C(CNC1CCCC1=O)NCCF 2230a_100000725713_100000211823 [0,2,0,0,0,0|2,0,0]=4 2998 B14R1.987 C/C=C(\C)/C(=O)CCN1CCCC1=O 1458a_100020587367_100000742232 [0,2,0,0,0,0|1,0,1]=4 2999 B14R1.987 C=C(COC1CCCC1=O)C(=O)OC 34a_200000719330_100009813391 [0,2,0,0,0,0|2,0,0]=4 3000 B14R1.987 C=C(CSC1CCCC1=O)C(=O)OC 62a_100000211823_100009813391 [0,2,0,0,0,0|2,0,0]=4 3001 B14R1.987 C=C(CSC1CCCC1=O)C(=O)OC 62a_100009813391_100000211823 [0,2,0,0,0,0|2,0,0]=4 3002 B14R1.987 CCC(C)C(=O)CCC1CCOC1=O 1458a_100000117037_100000758301 [0,2,0,0,0,0|1,0,1]=4 3003 B14R1.987 CCC(C)C(=O)CCN1CCCC1=O 1458a_100000751031_100000758301 [0,2,0,0,0,0|1,0,1]=4 3004 B14R1.987 CCC(C)C(=O)CCN1CCCC1=O 1458a_100011192722_100000742232 [0,2,0,0,0,0|1,0,1]=4 3005 B14R1.987 CCC(O)C(=O)CCN1CCCC1=O 1458a_100011196387_100000742232 [0,2,0,0,0,0|1,0,1]=4 3006 B14R1.987 CCN(C)C(=O)CCC1CCOC1=O 11a_100000225621_100000117037 [0,2,0,0,0,0|2,0,0]=4 3007 B14R1.987 CCN(C)C(=O)CCC1CCOC1=O 1626a_100000225621_100000117037 [0,2,0,0,0,0|2,0,0]=4 3008 B14R1.987 CCN(C)C(=O)CCC1CCOC1=O 240690a_100000225621_100000117037 [0,2,0,0,0,0|2,0,0]=4 3009 B14R1.987 CCN(C)C(=O)CCC1CCOC1=O 527a_100000225621_100000117037 [0,2,0,0,0,0|2,0,0]=4 3010 B14R1.987 CCN(C)C(=O)CCN1CCCC1=O 11a_100000225621_100000751031 [0,2,0,0,0,0|2,0,0]=4 3011 B14R1.987 CCN(C)C(=O)CCN1CCCC1=O 1626a_100000225621_100000751031 [0,2,0,0,0,0|2,0,0]=4 3012 B14R1.987 CCN(C)C(=O)CCN1CCCC1=O 240690a_100000225621_100000751031 [0,2,0,0,0,0|2,0,0]=4 3013 B14R1.987 CCN(C)C(=O)CCN1CCCC1=O 527a_100000225621_100000751031 [0,2,0,0,0,0|2,0,0]=4 3014 B14R1.987 CCN(C)C(=O)COC1CCCC1=O 34a_200000719330_100000738999 [0,2,0,0,0,0|2,0,0]=4 3015 B14R1.987 CCN(C)C(=O)CSC1CCCC1=O 62a_100000211823_100000738999 [0,2,0,0,0,0|2,0,0]=4 3016 B14R1.987 CCN(C)C(=O)CSC1CCCC1=O 62a_100000738999_100000211823 [0,2,0,0,0,0|2,0,0]=4 3017 B14R1.987 CNC(=O)C(=O)CCN1CCCC1=O 1458a_100011218921_100000742232 [0,2,0,0,0,0|2,0,0]=4 3018 B14R1.987 COC(=O)C(=O)COC1CCCC1=O 34a_200000719330_100011610305 [0,2,0,0,0,0|2,0,0]=4 3019 B14R1.987 COC(=O)C(=O)CSC1CCCC1=O 62a_100000211823_100011610305 [0,2,0,0,0,0|2,0,0]=4 3020 B14R1.987 COC(=O)C(=O)CSC1CCCC1=O 62a_100011610305_100000211823 [0,2,0,0,0,0|2,0,0]=4 3021 B14R1.3242 C=C(CCC)CC(=O)C1CCCC1=O 1458a_100000138376_100000211823 [0,2,0,0,0,0|0,0,2]=4 3022 B14R1.3242 CCNC(=O)CN(C)C1CCCC1=O 2230a_100000741943_100000211823 [0,2,0,0,0,0|2,0,0]=4 3023 B14R1.3242 CCNC(=O)CN(C)C1CCCC1=O 269982a_100000741943_100000211823 [0,2,0,0,0,0|2,0,0]=4 3024 B14R1.3242 CCOC(=O)CC(=O)C1CCCC1=O 1458a_100000243816_100000211823 [0,2,0,0,0,0|1,0,1]=4 3025 B14R1.3242 CCOC(=O)CN(C)C1CCCC1=O 2230a_100000220588_100000211823 [0,2,0,0,0,0|2,0,0]=4 3026 B14R1.3356 CCNC(=O)C(C)NC1CCCC1=O 2230a_100000736553_100000211823 [0,2,0,0,0,0|2,0,0]=4 3027 B14R1.3356 CCNC(=O)C(C)NC1CCCC1=O 34a_100000736553_100000709159 [0,2,0,0,0,0|2,0,0]=4 3028 B14R1.3356 CCNC(=O)C(C)OC1CCCC1=O 34a_200000719330_100000230173 [0,2,0,0,0,0|2,0,0]=4 3029 B14R1.3356 CCNC(=O)C(C)SC1CCCC1=O 62a_100000211823_100000230173 [0,2,0,0,0,0|2,0,0]=4 3030 B14R1.3356 CCNC(=O)C(C)SC1CCCC1=O 62a_100000230173_100000211823 [0,2,0,0,0,0|2,0,0]=4 3031 B14R1.3356 CCOC(=O)C(C)OC1CCCC1=O 34a_200000719330_100011216346 [0,2,0,0,0,0|2,0,0]=4 3032 B14R1.3356 CCOC(=O)C(C)SC1CCCC1=O 62a_100000211823_100011216346 [0,2,0,0,0,0|2,0,0]=4 3033 B14R1.3356 CCOC(=O)C(C)SC1CCCC1=O 62a_100011216346_100000211823 [0,2,0,0,0,0|2,0,0]=4 3034 B14R1.3356 CCOC(=O)C(F)OC1CCCC1=O 34a_200000719330_100000760018 [0,2,0,0,0,0|2,0,0]=4 3035 B14R1.3356 CCOC(=O)C(F)SC1CCCC1=O 62a_100000211823_100000760018 [0,2,0,0,0,0|2,0,0]=4 3036 B14R1.3356 CCOC(=O)C(F)SC1CCCC1=O 62a_100000760018_100000211823 [0,2,0,0,0,0|2,0,0]=4 3037 B14R1.3356 CCOC(=O)[C@H](C)OC1CCCC1=O 7a_100000751109_100000211823 [0,2,0,0,0,0|2,0,0]=4 3038 B14R1.3356 CCSC(=O)[C@H](C)NC1CCCC1=O 2230a_100103168634_100000211823 [0,2,0,0,0,0|2,0,0]=4 3039 B14R1.948 CC=CC(=O)NCCN1CCCC1=O 11a_100011200922_100000210699 [0,2,0,0,0,0|1,0,1]=4 3040 B14R1.948 CC=CC(=O)NCCN1CCCC1=O 1626a_100011200922_100000210699 [0,2,0,0,0,0|1,0,1]=4 3041 B14R1.948 CC=CC(=O)NCCN1CCCC1=O 240690a_100011200922_100000210699 [0,2,0,0,0,0|1,0,1]=4 3042 B14R1.948 CCCC(=O)CSCN1CCCC1=O 62a_100000026320_100000747444 [0,2,0,0,0,0|1,0,1]=4 3043 B14R1.948 CCCC(=O)CSCN1CCCC1=O 62a_100000747444_100000026320 [0,2,0,0,0,0|1,0,1]=4 3044 B14R1.948 CCCC(=O)NCCN1CCCC1=O 11a_100011200922_100000211992 [0,2,0,0,0,0|1,0,1]=4 3045 B14R1.948 CCCC(=O)NCCN1CCCC1=O 1626a_100011200922_100000211992 [0,2,0,0,0,0|1,0,1]=4 3046 B14R1.948 CCCC(=O)NCCN1CCCC1=O 240690a_100011200922_100000211992 [0,2,0,0,0,0|1,0,1]=4 3047 B14R1.948 CCCC(=O)NCCN1CCCC1=O 527a_100011200922_100000211992 [0,2,0,0,0,0|1,0,1]=4 3048 B14R1.948 CCCC(=O)OCOC1CCCC1=O 34a_200000719330_100000034017 [0,2,0,0,0,0|1,0,1]=4 3049 B14R1.948 CCCC(=O)OCSC1CCCC1=O 62a_100000211823_100000034017 [0,2,0,0,0,0|1,0,1]=4 3050 B14R1.948 CCCC(C)CCOC1CCCC1=O 34a_100011217855_100000709159 [0,2,0,0,0,0|0,0,2]=4 3051 B14R1.948 CCCC(C)CCOC1CCCC1=O 7a_100011217855_100000211823 [0,2,0,0,0,0|0,0,2]=4 3052 B14R1.948 CCC[C@H](N)CCOC1CCCC1=O 34a_100015193777_100000709159 [0,2,0,0,0,0|0,0,2]=4 3053 B14R1.948 CCNC(=O)CCNC1CCCC1=O 34a_100025743525_100000709159 [0,2,0,0,0,0|1,0,0]=3 3054 B14R1.948 CCNC(=O)CCNC1CCNC1=O 2230a_100016995588_100000737597 [0,2,0,0,0,0|2,0,0]=4 3055 B14R1.948 CCNC(=O)CCNC1CCOC1=O 34a_100025743525_100000211211 [0,2,0,0,0,0|2,0,0]=4 3056 B14R1.948 CCNC(=O)CCSC1CCCC1=O 62a_100000211823_100000737597 [0,2,0,0,0,0|1,0,0]=3 3057 B14R1.948 CCNC(=O)CCSC1CCCC1=O 62a_100000737597_100000211823 [0,2,0,0,0,0|1,0,0]=3 3058 B14R1.948 CCNC(=O)CCSC1CCOC1=O 62a_100000211211_100000737597 [0,2,0,0,0,0|2,0,0]=4 3059 B14R1.948 CCNC(=O)CCSC1CCOC1=O 62a_100000737597_100000211211 [0,2,0,0,0,0|2,0,0]=4 3060 B14R1.948 CCNC(=O)COCC1CCNC1=O 34a_100000133458_100000183381 [0,2,0,0,0,0|2,0,0]=4 3061 B14R1.948 CCNC(=O)CSCN1CCCC1=O 62a_100000026320_100000183381 [0,2,0,0,0,0|2,0,0]=4 3062 B14R1.948 CCNC(=O)CSCN1CCCC1=O 62a_100000183381_100000026320 [0,2,0,0,0,0|2,0,0]=4 3063 B14R1.948 CCNC(=O)NCCN1CCCC1=O 2708a_100011200922_100015525214 [0,2,0,0,0,0|2,0,0]=4 3064 B14R1.948 CCNC(=O)NCCN1CCCC1=O 2708a_100015525214_100011200922 [0,2,0,0,0,0|2,0,0]=4 3065 B14R1.948 CCNC(=O)NCCN1CCCC1=O 273464a_100011200922_100015525214 [0,2,0,0,0,0|2,0,0]=4 3066 B14R1.948 CCNC(=O)NCCN1CCCC1=O 273464a_100015525214_100011200922 [0,2,0,0,0,0|2,0,0]=4 3067 B14R1.948 CCNC(=O)NCCN1CCCC1=O 512a_100015525214_100011200922 [0,2,0,0,0,0|2,0,0]=4 3068 B14R1.948 CCOC(=O)CCNC1CCNC1=O 2230a_100016995588_100011206558 [0,2,0,0,0,0|2,0,0]=4 3069 B14R1.948 CCOC(=O)CCNC1CCNC1=O 34a_100016995588_100000765890 [0,2,0,0,0,0|2,0,0]=4 3070 B14R1.948 CCOC(=O)CCOC1CCCC1=O 34a_200000719330_100000765890 [0,2,0,0,0,0|1,0,0]=3 3071 B14R1.948 CCOC(=O)CCO[C@H]1CCNC1=O 34a_100000688343_100000765890 [0,2,0,0,0,0|2,0,0]=4 3072 B14R1.948 CCOC(=O)CCSC1CCCC1=O 62a_100000211823_100000765890 [0,2,0,0,0,0|1,0,0]=3 3073 B14R1.948 CCOC(=O)CCSC1CCCC1=O 62a_100000765890_100000211823 [0,2,0,0,0,0|1,0,0]=3 3074 B14R1.948 CCOC(=O)CCSC1CCOC1=O 62a_100000211211_100000765890 [0,2,0,0,0,0|2,0,0]=4 3075 B14R1.948 CCOC(=O)CCSC1CCOC1=O 62a_100000765890_100000211211 [0,2,0,0,0,0|2,0,0]=4 3076 B14R1.948 CCOC(=O)COCC1CCNC1=O 34a_100000133458_100000188475 [0,2,0,0,0,0|2,0,0]=4 3077 B14R1.948 CCOC(=O)CSCN1CCCC1=O 62a_100000026320_100000188475 [0,2,0,0,0,0|2,0,0]=4 3078 B14R1.948 CCOC(=O)CSCN1CCCC1=O 62a_100000188475_100000026320 [0,2,0,0,0,0|2,0,0]=4 3079 B14R1.948 CCOC(=O)OCSC1CCCC1=O 62a_100000211823_100000075025 [0,2,0,0,0,0|2,0,0]=4 3080 B14R1.948 COCC(=O)NCCN1CCCC1=O 11a_100011200922_100000210968 [0,2,0,0,0,0|2,0,0]=4 3081 B14R1.948 COCC(=O)NCCN1CCCC1=O 1626a_100011200922_100000210968 [0,2,0,0,0,0|2,0,0]=4 3082 B14R1.948 COCC(=O)NCCN1CCCC1=O 240690a_100011200922_100000210968 [0,2,0,0,0,0|2,0,0]=4 3083 B14R1.948 COCC(=O)NCCN1CCCC1=O 527a_100011200922_100000210968 [0,2,0,0,0,0|2,0,0]=4 3084 B14R1.948 CSCC(=O)NCCN1CCCC1=O 11a_100011200922_100000184570 [0,2,0,0,0,0|2,0,0]=4 3085 B14R1.948 CSCC(=O)NCCN1CCCC1=O 1626a_100011200922_100000184570 [0,2,0,0,0,0|2,0,0]=4 3086 B14R1.948 CSCC(=O)NCCN1CCCC1=O 240690a_100011200922_100000184570 [0,2,0,0,0,0|2,0,0]=4 3087 B14R1.948 CSCC(=O)NCCN1CCCC1=O 527a_100011200922_100000184570 [0,2,0,0,0,0|2,0,0]=4 3088 B14R1.948 O=C(CCO)NCCN1CCCC1=O 240690a_100011200922_100011216618 [0,2,0,0,0,0|2,0,0]=4 3089 B14R1.4461 CCC(=O)NCC(=O)C1CCCC1=O 1458a_100000194589_100000211823 [0,2,0,0,0,0|1,0,1]=4 3090 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_100011214890_100000709159 [0,2,0,0,0,0|0,0,2]=4 3091 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_200000719330_100011216152 [0,2,0,0,0,0|0,0,2]=4 3092 B14R1.168 CC(C)CCCCOC1CCCC1=O 7a_100011214890_100000211823 [0,2,0,0,0,0|0,0,2]=4 3093 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100000211823_100011216152 [0,2,0,0,0,0|0,0,2]=4 3094 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100011216152_100000211823 [0,2,0,0,0,0|0,0,2]=4 3095 B14R1.168 CC(C)CNCCOC1CCCC1=O 34a_100015185251_100000709159 [0,2,0,0,0,0|1,0,1]=4 3096 B14R1.168 CC(C)COCCOC1CCCC1=O 34a_100000703358_100000709159 [0,2,0,0,0,0|1,0,1]=4 3097 B14R1.168 CC(C)COCCOC1CCCC1=O 7a_100000703358_100000211823 [0,2,0,0,0,0|1,0,1]=4 3098 B14R1.168 CC(C)CSCCOC1CCCC1=O 34a_200000230437_100000709159 [0,2,0,0,0,0|1,0,1]=4 3099 B14R1.168 CC(C)CSCCOC1CCCC1=O 7a_200000230437_100000211823 [0,2,0,0,0,0|1,0,1]=4 3100 B14R1.168 CC(C)NCCCOC1CCCC1=O 34a_100000182298_100000709159 [0,2,0,0,0,0|1,0,1]=4 3101 B14R1.168 CC(C)OCCCNC1CCCC1=O 2230a_100000737246_100000211823 [0,2,0,0,0,0|1,0,1]=4 3102 B14R1.168 CC(C)OCCCNC1CCCC1=O 34a_100000737246_100000709159 [0,2,0,0,0,0|1,0,1]=4 3103 B14R1.216 CC/C=C/CCCOC1CCCC1=O 34a_100016287902_100000709159 [0,2,0,0,0,0|0,0,0]=2 3104 B14R1.216 CC/C=C/CCCOC1CCCC1=O 7a_100016287902_100000211823 [0,2,0,0,0,0|0,0,0]=2 3105 B14R1.216 CC/C=C/CCCOC1CCOC1=O 34a_100016287902_100000211211 [0,2,0,0,0,0|1,0,0]=3 3106 B14R1.216 CC/C=C/CCCOC1CCOC1=O 7a_100016287902_100000211211 [0,2,0,0,0,0|1,0,0]=3 3107 B14R1.216 CC/C=C\CCOCC1=CCCC1=O 34a_100000087531_100015370543 [0,2,0,0,0,0|0,0,2]=4 3108 B14R1.216 CC/C=C\CCOCC1CCCN1C 34a_100000743107_100015370543 [0,2,0,0,0,0|2,0,0]=4 3109 B14R1.216 CC/C=C\CCOCC1CCNC1=O 34a_100000133458_100015370543 [0,2,0,0,0,0|1,0,0]=3 3110 B14R1.216 CC/C=C\CCSCN1CCCC1=O 62a_100000026320_100015370543 [0,2,0,0,0,0|1,0,0]=3 3111 B14R1.216 CC/C=C\CCSCN1CCCC1=O 62a_100015370543_100000026320 [0,2,0,0,0,0|1,0,0]=3 3112 B14R1.216 CC/C=C\CNCCN1CCCC1=O 2230a_100011200922_100103147603 [0,2,0,0,0,0|1,0,0]=3 3113 B14R1.216 CC/C=C\CNCCN1CCNC1=O 2230a_100011207550_100103147603 [0,2,0,0,0,0|2,0,0]=4 3114 B14R1.216 CC/C=C\COCCC1CCCN1C 34a_100011215177_100103147603 [0,2,0,0,0,0|2,0,0]=4 3115 B14R1.216 CC/C=C\COCCC1CCCN1C 34a_100016268518_100000005710 [0,2,0,0,0,0|2,0,0]=4 3116 B14R1.216 CC/C=C\COCCC1CCCN1C 7a_100011215177_100103147603 [0,2,0,0,0,0|2,0,0]=4 3117 B14R1.216 CC/C=C\COCCN1CCCC1=O 34a_100000211209_100103147603 [0,2,0,0,0,0|1,0,0]=3 3118 B14R1.216 CC/C=C\COCCN1CCCC1=O 34a_100016268518_100000739059 [0,2,0,0,0,0|1,0,0]=3 3119 B14R1.216 CC/C=C\COCCN1CCCC1=O 7a_100000211209_100103147603 [0,2,0,0,0,0|1,0,0]=3 3120 B14R1.216 CC/C=C\COCCN1CCNC1=O 34a_100000216532_100103147603 [0,2,0,0,0,0|2,0,0]=4 3121 B14R1.216 CC/C=C\CSCCC1CCCN1C 62a_100000005710_100103147603 [0,2,0,0,0,0|2,0,0]=4 3122 B14R1.216 CC/C=C\CSCCC1CCCN1C 62a_100103147603_100000005710 [0,2,0,0,0,0|2,0,0]=4 3123 B14R1.216 CC/C=C\CSCCN1CCCC1=O 62a_100000739059_100103147603 [0,2,0,0,0,0|1,0,0]=3 3124 B14R1.216 CC/C=C\CSCCN1CCCC1=O 62a_100103147603_100000739059 [0,2,0,0,0,0|1,0,0]=3 3125 B14R1.216 CC/C=C\CSCCN1CCNC1=O 62a_100000090651_100103147603 [0,2,0,0,0,0|2,0,0]=4 3126 B14R1.216 CC/C=C\CSCCN1CCNC1=O 62a_100103147603_100000090651 [0,2,0,0,0,0|2,0,0]=4 3127 B14R1.216 CCCC#CCCOC1CCCC1=O 34a_100000042726_100000709159 [0,2,0,0,0,0|0,0,2]=4 3128 B14R1.216 CCCC#CCCOC1CCCC1=O 7a_100000042726_100000211823 [0,2,0,0,0,0|0,0,2]=4 3129 B14R1.216 CCCC/C=C/COC1CCCC1=O 34a_200016272032_100000709159 [0,2,0,0,0,0|1,0,0]=3 3130 B14R1.216 CCCC/C=C/COC1CCCC1=O 7a_200016272032_100000211823 [0,2,0,0,0,0|1,0,0]=3 3131 B14R1.216 CCCC/C=C/COC1CCOC1=O 34a_200016272032_100000211211 [0,2,0,0,0,0|2,0,0]=4 3132 B14R1.216 CCCC/C=C/COC1CCOC1=O 7a_200016272032_100000211211 [0,2,0,0,0,0|2,0,0]=4 3133 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,2,0,0,0,0|0,0,2]=4 3134 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,2,0,0,0,0|0,0,2]=4 3135 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,2,0,0,0,0|0,0,2]=4 3136 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,2,0,0,0,0|0,0,2]=4 3137 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,2,0,0,0,0|0,0,2]=4 3138 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,2,0,0,0,0|0,0,2]=4 3139 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,2,0,0,0,0|0,0,2]=4 3140 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,2,0,0,0,0|0,0,2]=4 3141 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,2,0,0,0,0|0,0,2]=4 3142 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,2,0,0,0,0|0,0,2]=4 3143 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,2,0,0,0,0|0,0,2]=4 3144 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,2,0,0,0,0|0,0,2]=4 3145 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,2,0,0,0,0|0,0,2]=4 3146 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,2,0,0,0,0|0,0,2]=4 3147 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,2,0,0,0,0|0,0,2]=4 3148 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,2,0,0,0,0|0,0,2]=4 3149 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,2,0,0,0,0|0,0,2]=4 3150 B14R1.216 CNCCOCCOC1CCCC1=O 34a_100000228057_100000709159 [0,2,0,0,0,0|1,0,1]=4 3151 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,2,0,0,0,0|0,0,2]=4 3152 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,2,0,0,0,0|0,0,2]=4 3153 B14R1.216 COCCOCCNC1CCCC1=O 2230a_100000745349_100000211823 [0,2,0,0,0,0|1,0,1]=4 3154 B14R1.216 COCCOCCNC1CCCC1=O 34a_100000745349_100000709159 [0,2,0,0,0,0|1,0,1]=4 3155 B14R1.216 COCCOCCOC1CCCC1=O 34a_100011215163_100000709159 [0,2,0,0,0,0|1,0,1]=4 3156 B14R1.216 COCCOCCOC1CCCC1=O 34a_200000719330_100000695917 [0,2,0,0,0,0|1,0,1]=4 3157 B14R1.216 COCCOCCOC1CCCC1=O 7a_100011215163_100000211823 [0,2,0,0,0,0|1,0,1]=4 3158 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000211823_100000695917 [0,2,0,0,0,0|1,0,1]=4 3159 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000695917_100000211823 [0,2,0,0,0,0|1,0,1]=4 3160 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,2,0,0,0,0|0,0,2]=4 3161 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,2,0,0,0,0|0,0,2]=4 3162 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,2,0,0,0,0|0,0,2]=4 3163 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,2,0,0,0,0|0,0,2]=4 3164 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,2,0,0,0,0|0,0,2]=4 3165 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,2,0,0,0,0|0,0,2]=4 3166 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,2,0,0,0,0|0,0,2]=4 3167 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,2,0,0,0,0|0,0,2]=4 3168 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,2,0,0,0,0|0,0,2]=4 3169 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,2,0,0,0,0|0,0,2]=4 3170 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,2,0,0,0,0|0,0,2]=4 3171 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,2,0,0,0,0|0,0,2]=4 3172 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,2,0,0,0,0|0,0,2]=4 3173 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,2,0,0,0,0|0,0,2]=4 3174 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,2,0,0,0,0|0,0,2]=4 3175 B14R1.1047 CC/C=C/CC(=O)NC1CCNC1=O 11a_100016995588_100016274230 [0,2,0,0,0,0|1,0,1]=4 3176 B14R1.1047 CC/C=C/CC(=O)NC1CCNC1=O 1626a_100016995588_100016274230 [0,2,0,0,0,0|1,0,1]=4 3177 B14R1.1047 CC/C=C/CC(=O)NC1CCNC1=O 240690a_100016995588_100016274230 [0,2,0,0,0,0|1,0,1]=4 3178 B14R1.1047 CC/C=C/CC(=O)NC1CCNC1=O 527a_100016995588_100016274230 [0,2,0,0,0,0|1,0,1]=4 3179 B14R1.1047 CC/C=C/CC(=O)NC1CCSC1=O 11a_100000184058_100016274230 [0,2,0,0,0,0|1,0,1]=4 3180 B14R1.1047 CC/C=C/CC(=O)NC1CCSC1=O 1626a_100000184058_100016274230 [0,2,0,0,0,0|1,0,1]=4 3181 B14R1.1047 CC/C=C/CC(=O)NC1CCSC1=O 240690a_100000184058_100016274230 [0,2,0,0,0,0|1,0,1]=4 3182 B14R1.1047 CC/C=C/CC(=O)NC1CCSC1=O 527a_100000184058_100016274230 [0,2,0,0,0,0|1,0,1]=4 3183 B14R1.1047 CC/C=C\CC(=O)CN1CCCC1=O 1458a_100000189602_100103147603 [0,2,0,0,0,0|1,0,0]=3 3184 B14R1.1047 CC/C=C\CC(=O)CN1CCOC1=O 1458a_100011227918_100103147603 [0,2,0,0,0,0|2,0,0]=4 3185 B14R1.1047 CC/C=C\CC(=O)CN1CSCC1=O 1458a_100000008433_100103147603 [0,2,0,0,0,0|2,0,0]=4 3186 B14R1.1047 CCC#CCC(C)OC1CCCC1=O 34a_200000035118_100000709159 [0,2,0,0,0,0|0,0,2]=4 3187 B14R1.1047 CCC#CCC(C)OC1CCCC1=O 7a_200000035118_100000211823 [0,2,0,0,0,0|0,0,2]=4 3188 B14R1.1047 CCCCCC(C)NC1CCCC1=O 2230a_100000211957_100000211823 [0,2,0,0,0,0|0,0,2]=4 3189 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_100011215632_100000709159 [0,2,0,0,0,0|0,0,2]=4 3190 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_200000719330_200011218191 [0,2,0,0,0,0|0,0,2]=4 3191 B14R1.1047 CCCCCC(C)OC1CCCC1=O 7a_100011215632_100000211823 [0,2,0,0,0,0|0,0,2]=4 3192 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_100000211823_200011218191 [0,2,0,0,0,0|0,0,2]=4 3193 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_200011218191_100000211823 [0,2,0,0,0,0|0,0,2]=4 3194 B14R1.1237 CC/C=C\CCOC1C(=O)CCC1=O 7a_100016288707_100009820769 [0,2,0,0,0,0|0,0,1]=3 3195 B14R1.1237 CC/C=C\CCOC1C(=O)COC1=O 34a_100016288707_100000032967 [0,2,0,0,0,0|1,0,1]=4 3196 B14R1.1237 CC/C=C\CCSC1C(=O)CCC1=O 62a_100009820769_100015370543 [0,2,0,0,0,0|0,0,1]=3 3197 B14R1.1237 CC/C=C\CCSC1C(=O)CCC1=O 62a_100015370543_100009820769 [0,2,0,0,0,0|0,0,1]=3 3198 B14R1.1237 CC/C=C\CCSC1C(=O)COC1=O 62a_100015370543_100000032967 [0,2,0,0,0,0|1,0,1]=4 3199 B14R1.1237 CCC/C=C/COC1C(=O)CCC1=O 7a_100016278788_100009820769 [0,2,0,0,0,0|1,0,1]=4 3200 B14R1.3360 CC/C=C\CCC(=O)C1CCCC1C 1458a_100000690547_100015370543 [0,2,0,0,0,0|1,0,1]=4 3201 B14R1.3360 CC/C=C\CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100015370543 [0,2,0,0,0,0|2,0,0]=4 3202 B14R1.3360 CC/C=C\CO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100103147603 [0,2,0,0,0,0|2,0,0]=4 3203 B14R1.3360 CCC/C=C/CC(=O)C1CCCC1=O 1458a_200016266809_100000211823 [0,2,0,0,0,0|0,0,1]=3 3204 B14R1.3360 CCC/C=C/CC(=O)C1CCOC1=O 1458a_200016266809_100000211211 [0,2,0,0,0,0|1,0,1]=4 3205 B14R1.3360 CCCCCCC(=O)C1CCCC1=O 1458a_100102632555_100000211823 [0,2,0,0,0,0|0,0,2]=4 3206 B14R1.3360 CCCCCCN(C)C1CCCC1=O 2230a_106256046315_100000211823 [0,2,0,0,0,0|0,0,2]=4 3207 B14R1.3360 CCCCCCN(C)C1CCCC1=O 269982a_106256046315_100000211823 [0,2,0,0,0,0|0,0,2]=4 3208 B14R1.3452 CC/C=C\CCOC1CCN(C1=O)C 34a_100016288707_100000755940 [0,2,0,0,0,0|1,0,0]=3 3209 B14R1.3452 CC/C=C\CCOC1CCN(C1=O)C 7a_100016288707_100000755940 [0,2,0,0,0,0|1,0,0]=3 3210 B14R1.3452 CC/C=C\CCSC1CCN(C1=O)C 62a_100000755940_100015370543 [0,2,0,0,0,0|1,0,0]=3 3211 B14R1.3452 CC/C=C\CCSC1CCN(C1=O)C 62a_100015370543_100000755940 [0,2,0,0,0,0|1,0,0]=3 3212 B14R1.3452 CC/C=C\COCC1CCN(C1=O)C 34a_100009823153_100103147603 [0,2,0,0,0,0|1,0,0]=3 3213 B14R1.3452 CCC/C=C/COC1CCN(C1=O)C 34a_100016278788_100000755940 [0,2,0,0,0,0|2,0,0]=4 3214 B14R1.3452 CCC/C=C/COC1CCN(C1=O)C 7a_100016278788_100000755940 [0,2,0,0,0,0|2,0,0]=4 3215 B14R1.8094 CC/C=C\CCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100015370543 [0,2,0,0,0,0|1,0,1]=4 3216 B14R1.3022 CC/C=C/CC(=O)C1CCN(C1=O)C 1458a_100016274230_100000755940 [0,2,0,0,0,0|1,0,1]=4 3217 B14R1.3022 CC/C=C\CC(=O)C1CCN(C1=O)C 1458a_100000137746_100103147603 [0,2,0,0,0,0|1,0,1]=4 3218 B12R1.8 C=CCCCCN1CC=CCC1 2230a_100000698166_100011215482 [0,0,1,1,0,0|2,0,0]=4 3219 B12R1.8 C=CCCCCN1CC=CCC1 269982a_100000698166_100011215482 [0,0,1,1,0,0|2,0,0]=4 3220 B12R1.8 C=CCCCCN1CC=CCC1 34a_100000698166_100011215482 [0,0,1,1,0,0|2,0,0]=4 3221 B12R1.8 C=CCCCOC1CC=CCC1 34a_100000073881_100000757094 [0,0,1,1,0,0|2,0,0]=4 3222 B12R1.8 C=CCCNCC1CC=CCC1 270004a_100015191253_100000189434 [0,0,1,1,0,0|2,0,0]=4 3223 B12R1.8 C=CCCOCC1CC=CCC1 34a_100000210713_100000754431 [0,0,1,1,0,0|2,0,0]=4 3224 B12R1.8 CC/C=C\COC1C=CCCC1 34a_100011215024_100103147603 [0,0,1,1,0,0|2,0,0]=4 3225 B12R1.8 CC/C=C\CSC1C=CCCC1 62a_100000751183_100103147603 [0,0,1,1,0,0|2,0,0]=4 3226 B12R1.8 CC/C=C\CSC1C=CCCC1 62a_100103147603_100000751183 [0,0,1,1,0,0|2,0,0]=4 3227 B12R1.8 O=CCCCCN1CC=CCC1 2230a_100000698166_100000139335 [0,0,1,1,0,0|1,0,0]=3 3228 B12R1.8 O=CCCCCN1CC=CCC1 269982a_100000698166_100000139335 [0,0,1,1,0,0|1,0,0]=3 3229 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,0,1,1,0,0|1,0,1]=4 3230 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,0,1,1,0,0|1,0,1]=4 3231 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,0,1,1,0,0|1,0,1]=4 3232 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,0,1,1,0,0|1,0,1]=4 3233 B12R1.329 C=CCOC1CC/C=C\CCC1 34a_100016989180_100015514636 [0,0,1,1,0,0|2,0,0]=4 3234 B12R1.329 C=CCOC1CC/C=C\CCC1 34a_200000210373_100021000466 [0,0,1,1,0,0|2,0,0]=4 3235 B12R1.329 C=CCSC1CC/C=C\CCC1 62a_100000210623_100021000466 [0,0,1,1,0,0|2,0,0]=4 3236 B12R1.329 C=CCSC1CC/C=C\CCC1 62a_100021000466_100000210623 [0,0,1,1,0,0|2,0,0]=4 3237 B12R1.329 O=CCOC1CC/C=C\CCC1 34a_100016989180_200009817547 [0,0,1,1,0,0|1,0,0]=3 3238 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_100021000466_200015260668 [0,0,1,1,0,0|1,0,0]=3 3239 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_200015260668_100021000466 [0,0,1,1,0,0|1,0,0]=3 3240 B12R1.28 CC/C=C\CN1CCNC(=O)C1 2230a_100000184651_100103147603 [0,0,1,1,0,0|2,0,0]=4 3241 B12R1.28 CC/C=C\CN1CCOC(=O)C1 2230a_100000131268_100103147603 [0,0,1,1,0,0|2,0,0]=4 3242 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,0,1,1,0,0|0,0,2]=4 3243 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,0,1,1,0,0|0,0,2]=4 3244 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,0,1,1,0,0|1,0,1]=4 3245 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,0,1,1,0,0|1,0,1]=4 3246 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,0,1,1,0,0|1,0,1]=4 3247 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,0,1,1,0,0|1,0,1]=4 3248 B12R1.32 CCCC(=O)CN1CC=CCC1 2230a_100000698166_100000747444 [0,0,1,1,0,0|1,0,0]=3 3249 B12R1.32 CCCC(=O)CN1CC=CCC1 269982a_100000698166_100000747444 [0,0,1,1,0,0|1,0,0]=3 3250 B12R1.32 CCCN(C)CC1CC=CCC1 270004a_100000747261_100000189434 [0,0,1,1,0,0|2,0,0]=4 3251 B12R1.32 CCNC(=O)CN1CC=CCC1 2230a_100000698166_100000183381 [0,0,1,1,0,0|2,0,0]=4 3252 B12R1.32 CCNC(=O)CN1CC=CCC1 269982a_100000698166_100000183381 [0,0,1,1,0,0|2,0,0]=4 3253 B12R1.32 CCNC(=O)CN1CC=CCC1 34a_100000698166_100000183381 [0,0,1,1,0,0|2,0,0]=4 3254 B12R1.32 CCOC(=O)CN1CC=CCC1 2230a_100000698166_100000188475 [0,0,1,1,0,0|2,0,0]=4 3255 B12R1.32 CCOC(=O)CN1CC=CCC1 269982a_100000698166_100000188475 [0,0,1,1,0,0|2,0,0]=4 3256 B12R1.32 CCOC(=O)CN1CC=CCC1 34a_100000698166_100000188475 [0,0,1,1,0,0|2,0,0]=4 3257 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,0,1,1,0,0|0,0,2]=4 3258 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,0,1,1,0,0|1,0,1]=4 3259 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100000686663_100103147603 [0,0,1,1,0,0|1,0,0]=3 3260 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100016268518_100000746382 [0,0,1,1,0,0|1,0,0]=3 3261 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100000746382_100103147603 [0,0,1,1,0,0|1,0,0]=3 3262 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100103147603_100000746382 [0,0,1,1,0,0|1,0,0]=3 3263 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,0,1,1,0,0|0,0,2]=4 3264 B12R1.1564 C#CCC(=O)C1CCC=CCC1 1458a_100000048548_100000184674 [0,0,1,1,0,0|0,0,2]=4 3265 B12R1.1564 C=CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210623 [0,0,1,1,0,0|0,0,2]=4 3266 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,0,1,1,0,0|0,0,0]=2 3267 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,0,1,1,0,0|0,0,2]=4 3268 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,0,1,1,0,0|0,0,2]=4 3269 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [0,0,1,1,0,0|1,0,0]=3 3270 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [0,0,1,1,0,0|1,0,0]=3 3271 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [0,0,1,1,0,0|1,0,0]=3 3272 B12R1.1564 CNNC(=O)C1CCC=CCC1 22a_100016993582_100000048548 [0,0,1,1,0,0|2,0,0]=4 3273 B12R1.1564 N#CCC(=O)C1CCC=CCC1 1458a_100000048548_100011214920 [0,0,1,1,0,0|1,0,1]=4 3274 B12R1.1564 O=C(CCF)C1CCC=CCC1 1458a_100000048548_100011217306 [0,0,1,1,0,0|1,0,0]=3 3275 B12R1.1564 O=C(CCO)C1CCC=CCC1 1458a_100000048548_100000211926 [0,0,1,1,0,0|1,0,0]=3 3276 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100009815004_200000210301 [0,0,1,1,0,0|0,0,2]=4 3277 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815004_200025704644 [0,0,1,1,0,0|0,0,2]=4 3278 B12R1.478 CCC(C(=O)N)N1CC=CCC1 2230a_100000698166_100000750255 [0,0,1,1,0,0|2,0,0]=4 3279 B12R1.478 CCC(C(=O)N)N1CC=CCC1 269982a_100000698166_100000750255 [0,0,1,1,0,0|2,0,0]=4 3280 B12R1.478 CCC(C(=O)N)N1CC=CCC1 34a_100000698166_100000750255 [0,0,1,1,0,0|2,0,0]=4 3281 B12R1.522 CC/C=C\CN1CCC1C(=O)O 269956a_100000021838_100103147603 [0,0,1,1,0,0|2,0,0]=4 3282 B12R1.969 CC/C=C\CNC1(CC1)C(=O)N 2230a_100000687655_100103147603 [0,0,1,1,0,0|2,0,0]=4 3283 B12R1.969 CC/C=C\CNC1(CC1)C(=O)O 269956a_100000746478_100103147603 [0,0,1,1,0,0|2,0,0]=4 3284 B12R1.969 CC/C=C\COC1(CC1)C(=O)N 34a_100016268518_100010760883 [0,0,1,1,0,0|2,0,0]=4 3285 B12R1.969 CC/C=C\CSC1(CC1)C(=O)C 62a_100000086384_100103147603 [0,0,1,1,0,0|1,0,0]=3 3286 B12R1.969 CC/C=C\CSC1(CC1)C(=O)C 62a_100103147603_100000086384 [0,0,1,1,0,0|1,0,0]=3 3287 B12R1.969 CC/C=C\CSC1(CC1)C(=O)N 62a_100010760883_100103147603 [0,0,1,1,0,0|2,0,0]=4 3288 B12R1.969 CC/C=C\CSC1(CC1)C(=O)N 62a_100103147603_100010760883 [0,0,1,1,0,0|2,0,0]=4 3289 B12R1.34 CCC(=O)C(C)C1CCCCC1 1458a_100011435303_100000210202 [0,0,1,1,0,0|0,0,2]=4 3290 B12R1.34 CCC(=O)C(C)N1CC=CCC1 2230a_100000698166_100000742827 [0,0,1,1,0,0|1,0,0]=3 3291 B12R1.34 CCC(=O)C(C)N1CC=CCC1 269982a_100000698166_100000742827 [0,0,1,1,0,0|1,0,0]=3 3292 B12R1.34 CNC(=O)C(C)N1CC=CCC1 2230a_100000698166_100000731044 [0,0,1,1,0,0|2,0,0]=4 3293 B12R1.34 CNC(=O)C(C)N1CC=CCC1 269982a_100000698166_100000209862 [0,0,1,1,0,0|2,0,0]=4 3294 B12R1.34 CNC(=O)C(C)N1CC=CCC1 34a_100000698166_100000731044 [0,0,1,1,0,0|2,0,0]=4 3295 B12R1.34 COC(=O)C(C)N1CC=CCC1 2230a_100000698166_100000211248 [0,0,1,1,0,0|2,0,0]=4 3296 B12R1.34 COC(=O)C(C)N1CC=CCC1 269982a_100000698166_100000211248 [0,0,1,1,0,0|2,0,0]=4 3297 B12R1.34 COC(=O)C(C)N1CC=CCC1 34a_100000698166_100000211248 [0,0,1,1,0,0|2,0,0]=4 3298 B12R1.435 CCC(=O)C1CCCN(C1)CC 1458a_100000743261_100000210202 [0,0,1,1,0,0|1,0,1]=4 3299 B12R1.1412 CC/C=C\CN1CC1C(=O)OC 2230a_200009830135_100103147603 [0,0,1,1,0,0|2,0,0]=4 3300 B12R1.1659 C#CC(=O)C1CC/C=C\CCC1 1458a_100000211873_100021000466 [0,0,1,1,0,0|0,0,2]=4 3301 B12R1.1659 C=CC(=O)C1CC/C=C\CCC1 1458a_100000185746_100021000466 [0,0,1,1,0,0|0,0,2]=4 3302 B12R1.1659 CCC(=O)C1CC/C=C\CCC1 1458a_100000210414_100021000466 [0,0,1,1,0,0|0,0,0]=2 3303 B12R1.1659 CCN(C)C1CC/C=C\CCC1 269982a_100000225621_100021000466 [0,0,1,1,0,0|2,0,0]=4 3304 B12R1.1659 O=C(CO)C1CC/C=C\CCC1 1458a_100000210174_100021000466 [0,0,1,1,0,0|1,0,0]=3 3305 B12R2.2 C1=CCN(CC1)C2CCCC2 2230a_100000698166_100000179811 [1,0,0,1,0,0|1,0,1]=4 3306 B12R2.2 C1=CCN(CC1)C2CCCC2 269982a_100000698166_100000179811 [1,0,0,1,0,0|1,0,1]=4 3307 B12R2.2 C1=CCN(CC1)C2CCCC2 270004a_100000698166_100000210133 [1,0,0,1,0,0|1,0,1]=4 3308 B12R2.2 C1=CCN(CC1)C2CCCC2 34a_100000698166_100000179811 [1,0,0,1,0,0|1,0,1]=4 3309 B12R2.110 CC1CCN1C2CCCC2=O 269982a_100000755817_100000211823 [1,0,0,1,0,0|1,0,1]=4 3310 B12R2.110 CC1CCN1C2CCCC2=O 34a_100000755817_100000709159 [1,0,0,1,0,0|1,0,1]=4 3311 B12R2.466 O=C1CCCC1NCC2CC2 2230a_100000735609_100000211823 [1,0,0,1,0,0|1,0,1]=4 3312 B12R2.466 O=C1CCCC1NCC2CC2 34a_100000735609_100000709159 [1,0,0,1,0,0|1,0,1]=4 3313 B12R2.466 O=C1CCCC1OCC2CC2 34a_100000211283_100000709159 [1,0,0,1,0,0|1,0,1]=4 3314 B12R2.466 O=C1CCCC1OCC2CC2 34a_200000719330_100000742324 [1,0,0,1,0,0|1,0,1]=4 3315 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000211823_100000742324 [1,0,0,1,0,0|1,0,1]=4 3316 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000756562_100000211823 [1,0,0,1,0,0|1,0,1]=4 3317 B12R2.1114 O=C1CCCC1NC2CCC2 2230a_100000749019_100000211823 [1,0,0,1,0,0|1,0,1]=4 3318 B12R2.1114 O=C1CCCC1NC2CCC2 34a_100000749019_100000709159 [1,0,0,1,0,0|1,0,1]=4 3319 B12R2.1114 O=C1CCCC1OC2CCC2 34a_100000748187_100000709159 [1,0,0,1,0,0|1,0,1]=4 3320 B12R2.1114 O=C1CCCC1OC2CCC2 34a_200000719330_100000749161 [1,0,0,1,0,0|1,0,1]=4 3321 B12R2.1114 O=C1CCCC1SC2CCC2 62a_100000211823_100000749161 [1,0,0,1,0,0|1,0,1]=4 3322 B12R2.23 O=C1CCC1N2CC=CCC2 269982a_100000698166_100009892977 [0,0,0,1,1,0|1,0,0]=3 3323 B12R2.23 O=C1CCC1N2CC=CCC2 34a_100000698166_100009892977 [0,0,0,1,1,0|1,0,0]=3 3324 B12R2.1298 O=C1CCC1CCSC2CC2 62a_200016118888_100000211595 [0,0,0,1,1,0|1,0,1]=4 3325 B12R2.1310 O=C1CCC1CCN2CCC2 269982a_100000754969_200016118888 [0,0,0,1,1,0|1,0,1]=4 3326 B14R2.24 O=C1CCCCC1N2CC=CCC2 269982a_100000698166_100000204591 [0,0,0,1,0,1|1,0,0]=3 3327 B14R2.24 O=C1CCCCC1N2CC=CCC2 34a_100000698166_100000754470 [0,0,0,1,0,1|1,0,0]=3 3328 B14R2.24 O=C1CCOCC1N2CC=CCC2 34a_100000698166_100012180262 [0,0,0,1,0,1|1,0,0]=3 3329 B14R2.24 O=C1NCCCC1N2CC=CCC2 2230a_100000698166_100000687798 [0,0,0,1,0,1|1,0,0]=3 3330 B14R2.24 O=C1NCCCC1N2CC=CCC2 269982a_100000698166_100000687798 [0,0,0,1,0,1|1,0,0]=3 3331 B14R2.24 O=C1NCCCC1N2CC=CCC2 34a_100000698166_100000687798 [0,0,0,1,0,1|1,0,0]=3 3332 B14R2.170 CCC1C=CCN1C2CCCC2=O 2230a_100000730860_100000211823 [0,1,0,1,0,0|1,0,0]=3 3333 B14R2.170 CCC1C=CCN1C2CCCC2=O 269982a_100000730860_100000211823 [0,1,0,1,0,0|1,0,0]=3 3334 B14R2.170 CCC1C=CCN1C2CCCC2=O 34a_100000730860_100000709159 [0,1,0,1,0,0|1,0,0]=3 3335 B14R2.170 CCC1C=CCN1C2CCOC2=O 2230a_100000730860_100000211211 [0,1,0,1,0,0|2,0,0]=4 3336 B14R2.170 CCC1C=CCN1C2CCOC2=O 269982a_100000730860_100000211211 [0,1,0,1,0,0|2,0,0]=4 3337 B14R2.170 CCC1C=CCN1C2CCOC2=O 34a_100000730860_100000211211 [0,1,0,1,0,0|2,0,0]=4 3338 B14R2.170 CCC1CCCN1C2CCCC2=O 2230a_100000754278_100000211823 [0,1,0,1,0,0|0,0,2]=4 3339 B14R2.170 CCC1CCCN1C2CCCC2=O 269982a_100000754278_100000211823 [0,1,0,1,0,0|0,0,2]=4 3340 B14R2.170 CCC1CCCN1C2CCCC2=O 34a_100000754278_100000709159 [0,1,0,1,0,0|0,0,2]=4 3341 B14R2.259 O=C1CCC(C1)OC2CCCC2=O 34a_100012614533_100000709159 [0,1,0,1,0,0|1,0,1]=4 3342 B14R2.4734 O=C1CCCC1OCCNC2CC2 34a_100000738766_100000709159 [0,1,0,1,0,0|1,0,1]=4 3343 B14R2.598 CC1CC(C(=O)O1)N2CC=CCC2 2230a_100000698166_200000216747 [0,1,0,1,0,0|2,0,0]=4 3344 B14R2.598 CC1CC(C(=O)O1)N2CC=CCC2 269982a_100000698166_200000216747 [0,1,0,1,0,0|2,0,0]=4 3345 B14R2.598 CC1CC(C(=O)O1)N2CC=CCC2 34a_100000698166_200000216747 [0,1,0,1,0,0|2,0,0]=4 3346 B14R2.309 CC1CCCC1OC2CCCC2=O 34a_100011216460_100000709159 [0,1,0,1,0,0|0,0,2]=4 3347 B14R2.309 CC1CCCC1OC2CCCC2=O 7a_100011216460_100000211823 [0,1,0,1,0,0|0,0,2]=4 3348 B14R2.309 C[C@@H]1CNC[C@@H]1OC2CCCC2=O 34a_200015306588_100000709159 [0,1,0,1,0,0|1,0,1]=4 3349 B14R2.309 O=C1CCCC1NC2CCNC2=O 2230a_100016995588_100000211823 [0,1,0,1,0,0|2,0,0]=4 3350 B14R2.309 O=C1CCCC1NC2CCNC2=O 34a_100016995588_100000709159 [0,1,0,1,0,0|2,0,0]=4 3351 B14R2.309 O=C1CCCC1OC2CCCC2=O 34a_200000719330_100000709159 [0,1,0,1,0,0|1,0,1]=4 3352 B14R2.309 O=C1CCCC1OC2CCOC2=O 34a_200000719330_100000211211 [0,1,0,1,0,0|2,0,0]=4 3353 B14R2.309 O=C1CCCC1O[C@H]2CCNC2=O 34a_100000688343_100000709159 [0,1,0,1,0,0|2,0,0]=4 3354 B14R2.309 O=C1CCCC1SC2CCCC2=O 62a_100000211823_100000211823 [0,1,0,1,0,0|1,0,1]=4 3355 B14R2.309 O=C1CCCC1SC2CCOC2=O 62a_100000211211_100000211823 [0,1,0,1,0,0|2,0,0]=4 3356 B14R2.309 O=C1CCCC1SC2CCOC2=O 62a_100000211823_100000211211 [0,1,0,1,0,0|2,0,0]=4 3357 B14R2.384 O=C1CCCC1NCC2CCCC2 2230a_100000737975_100000211823 [0,1,0,1,0,0|0,0,2]=4 3358 B14R2.384 O=C1CCCC1NCC2CCCC2 34a_100000737975_100000709159 [0,1,0,1,0,0|0,0,2]=4 3359 B14R2.384 O=C1CCCC1NCC2CCOC2 2230a_100000737293_100000211823 [0,1,0,1,0,0|1,0,1]=4 3360 B14R2.384 O=C1CCCC1NCC2CCOC2 34a_100000737293_100000709159 [0,1,0,1,0,0|1,0,1]=4 3361 B14R2.384 O=C1CCCC1NC[C@@H]2CCCO2 2230a_100020590478_100000211823 [0,1,0,1,0,0|1,0,1]=4 3362 B14R2.384 O=C1CCCC1NC[C@@H]2CCCO2 34a_100020590478_100000709159 [0,1,0,1,0,0|1,0,1]=4 3363 B14R2.384 O=C1CCCC1OCC2=NCCN2 34a_200000719330_100000737910 [0,1,0,1,0,0|2,0,0]=4 3364 B14R2.384 O=C1CCCC1OCC2CC=CC2 34a_100000688395_100000709159 [0,1,0,1,0,0|0,0,2]=4 3365 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_100000742336_100000709159 [0,1,0,1,0,0|0,0,2]=4 3366 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_200000719330_100000740388 [0,1,0,1,0,0|0,0,2]=4 3367 B14R2.384 O=C1CCCC1OCC2CCCC2 7a_100000742336_100000211823 [0,1,0,1,0,0|0,0,2]=4 3368 B14R2.384 O=C1CCCC1OCC2CCCO2 34a_100000210270_100000709159 [0,1,0,1,0,0|1,0,1]=4 3369 B14R2.384 O=C1CCCC1OCC2CCCO2 7a_100000210270_100000211823 [0,1,0,1,0,0|1,0,1]=4 3370 B14R2.384 O=C1CCCC1OCC2CCNC2 34a_100000748654_100000709159 [0,1,0,1,0,0|1,0,1]=4 3371 B14R2.384 O=C1CCCC1OCC2CCOC2 34a_100000740260_100000709159 [0,1,0,1,0,0|1,0,1]=4 3372 B14R2.384 O=C1CCCC1OCC2CCOC2 34a_200000719330_100011261433 [0,1,0,1,0,0|1,0,1]=4 3373 B14R2.384 O=C1CCCC1OC[C@H]2CCCN2 34a_100000745186_100000709159 [0,1,0,1,0,0|1,0,1]=4 3374 B14R2.384 O=C1CCCC1SCC2=NCCN2 62a_100000211823_100000737910 [0,1,0,1,0,0|2,0,0]=4 3375 B14R2.384 O=C1CCCC1SCC2=NCCN2 62a_100000737910_100000211823 [0,1,0,1,0,0|2,0,0]=4 3376 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000211823_100000740388 [0,1,0,1,0,0|0,0,2]=4 3377 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000740388_100000211823 [0,1,0,1,0,0|0,0,2]=4 3378 B14R2.384 O=C1CCCC1SCC2CCCO2 62a_100000203698_100000211823 [0,1,0,1,0,0|1,0,1]=4 3379 B14R2.384 O=C1CCCC1SCC2CCCO2 62a_100000211823_100000203698 [0,1,0,1,0,0|1,0,1]=4 3380 B14R2.384 O=C1CCCC1SCC2CCOC2 62a_100000211823_100000702531 [0,1,0,1,0,0|1,0,1]=4 3381 B14R2.384 O=C1CCCC1SCC2CCOC2 62a_100000702531_100000211823 [0,1,0,1,0,0|1,0,1]=4 3382 B14R2.4730 O=C(CCN1CCCC1=O)C2CC2 1458a_100000210395_100000742232 [0,1,0,1,0,0|1,0,1]=4 3383 B14R2.4730 O=C(COC1CCCC1=O)C2CC2 34a_100000686663_100000709159 [0,1,0,1,0,0|1,0,1]=4 3384 B14R2.4730 O=C(COC1CCCC1=O)C2CC2 34a_200000719330_100000746382 [0,1,0,1,0,0|1,0,1]=4 3385 B14R2.4730 O=C(CSC1CCCC1=O)C2CC2 62a_100000211823_100000746382 [0,1,0,1,0,0|1,0,1]=4 3386 B14R2.4730 O=C(CSC1CCCC1=O)C2CC2 62a_100000746382_100000211823 [0,1,0,1,0,0|1,0,1]=4 3387 B14R2.926 C=C1CCN(CC1)C2CCCC2=O 2230a_100000752442_100000211823 [0,1,0,1,0,0|1,0,1]=4 3388 B14R2.926 C=C1CCN(CC1)C2CCCC2=O 269982a_100000752442_100000211823 [0,1,0,1,0,0|1,0,1]=4 3389 B14R2.926 C=C1CCN(CC1)C2CCCC2=O 34a_100000752442_100000709159 [0,1,0,1,0,0|1,0,1]=4 3390 B14R2.926 CC1=CCN(CC1)C2CCCC2=O 2230a_100000693516_100000211823 [0,1,0,1,0,0|1,0,0]=3 3391 B14R2.926 CC1=CCN(CC1)C2CCCC2=O 269982a_100000693516_100000211823 [0,1,0,1,0,0|1,0,0]=3 3392 B14R2.926 CC1=CCN(CC1)C2CCCC2=O 34a_100000693516_100000709159 [0,1,0,1,0,0|1,0,0]=3 3393 B14R2.926 CC1=CCN(CC1)C2CCOC2=O 2230a_100000693516_100000211211 [0,1,0,1,0,0|2,0,0]=4 3394 B14R2.926 CC1=CCN(CC1)C2CCOC2=O 269982a_100000693516_100000211211 [0,1,0,1,0,0|2,0,0]=4 3395 B14R2.926 CC1=CCN(CC1)C2CCOC2=O 34a_100000693516_100000211211 [0,1,0,1,0,0|2,0,0]=4 3396 B14R2.30 O=C1CCCC1NC2CCCCC2 2230a_100000182618_100000211823 [0,1,0,1,0,0|0,0,2]=4 3397 B14R2.30 O=C1CCCC1NC2CCCCC2 34a_100000182618_100000709159 [0,1,0,1,0,0|0,0,2]=4 3398 B14R2.30 O=C1CCCC1NC2CCCOC2 2230a_100000719290_100000211823 [0,1,0,1,0,0|1,0,1]=4 3399 B14R2.30 O=C1CCCC1NC2CCCOC2 34a_100000719290_100000709159 [0,1,0,1,0,0|1,0,1]=4 3400 B14R2.30 O=C1CCCC1NC2CCOCC2 2230a_100000741149_100000211823 [0,1,0,1,0,0|1,0,1]=4 3401 B14R2.30 O=C1CCCC1NC2CCOCC2 34a_100000741149_100000709159 [0,1,0,1,0,0|1,0,1]=4 3402 B14R2.30 O=C1CCCC1NC2CCSCC2 2230a_100000748639_100000211823 [0,1,0,1,0,0|1,0,1]=4 3403 B14R2.30 O=C1CCCC1NC2CCSCC2 34a_100000748639_100000709159 [0,1,0,1,0,0|1,0,1]=4 3404 B14R2.30 O=C1CCCC1OC2C=CCCC2 34a_100011215024_100000709159 [0,1,0,1,0,0|1,0,0]=3 3405 B14R2.30 O=C1CCCC1OC2CC=CCC2 34a_100000073881_100000709159 [0,1,0,1,0,0|0,0,0]=2 3406 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_100000210231_100000709159 [0,1,0,1,0,0|0,0,2]=4 3407 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_200000719330_100000210327 [0,1,0,1,0,0|0,0,2]=4 3408 B14R2.30 O=C1CCCC1OC2CCCCC2 7a_100000210231_100000211823 [0,1,0,1,0,0|0,0,2]=4 3409 B14R2.30 O=C1CCCC1OC2CCCOC2 34a_100000754041_100000709159 [0,1,0,1,0,0|1,0,1]=4 3410 B14R2.30 O=C1CCCC1OC2CCCOC2 34a_200000719330_100000693364 [0,1,0,1,0,0|1,0,1]=4 3411 B14R2.30 O=C1CCCC1OC2CCCSC2 7a_100015962668_100000211823 [0,1,0,1,0,0|1,0,1]=4 3412 B14R2.30 O=C1CCCC1OC2CCOCC2 34a_100000744328_100000709159 [0,1,0,1,0,0|1,0,1]=4 3413 B14R2.30 O=C1CCCC1OC2CCSCC2 34a_100000731022_100000709159 [0,1,0,1,0,0|1,0,1]=4 3414 B14R2.30 O=C1CCCC1OC2CCSCC2 34a_200000719330_100000069128 [0,1,0,1,0,0|1,0,1]=4 3415 B14R2.30 O=C1CCCC1OC2CCSCC2 7a_100000731022_100000211823 [0,1,0,1,0,0|1,0,1]=4 3416 B14R2.30 O=C1CCCC1SC2C=CCCC2 62a_100000211823_100000751183 [0,1,0,1,0,0|1,0,0]=3 3417 B14R2.30 O=C1CCCC1SC2C=CCCC2 62a_100000751183_100000211823 [0,1,0,1,0,0|1,0,0]=3 3418 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000210327_100000211823 [0,1,0,1,0,0|0,0,2]=4 3419 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000211823_100000210327 [0,1,0,1,0,0|0,0,2]=4 3420 B14R2.30 O=C1CCCC1SC2CCCOC2 62a_100000211823_100000693364 [0,1,0,1,0,0|1,0,1]=4 3421 B14R2.30 O=C1CCCC1SC2CCOCC2 62a_100000211823_100011324220 [0,1,0,1,0,0|1,0,1]=4 3422 B14R2.30 O=C1CCCC1SC2CCSCC2 62a_100000211823_100000069128 [0,1,0,1,0,0|1,0,1]=4 3423 B14R2.30 O=C1CCCN1CN2CC=CCC2 269982a_100000698166_100000026320 [0,1,0,1,0,0|1,0,0]=3 3424 B14R2.30 O=C1NCCC1NC2C=CCCC2 2230a_100016995588_100000751183 [0,1,0,1,0,0|2,0,0]=4 3425 B14R2.30 O=C1OCCC1OC2C=CCCC2 34a_100011215024_100000211211 [0,1,0,1,0,0|2,0,0]=4 3426 B14R2.30 O=C1OCCC1OC2CC=CCC2 34a_100000073881_100000211211 [0,1,0,1,0,0|1,0,0]=3 3427 B14R2.30 O=C1OCCC1SC2C=CCCC2 62a_100000211211_100000751183 [0,1,0,1,0,0|2,0,0]=4 3428 B14R2.30 O=C1OCCC1SC2C=CCCC2 62a_100000751183_100000211211 [0,1,0,1,0,0|2,0,0]=4 3429 B14R2.144 CC/C=C\CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100103147603 [0,1,0,1,0,0|1,0,1]=4 3430 B14R2.144 CC/C=C\CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100103147603 [0,1,0,1,0,0|1,0,1]=4 3431 B14R2.144 CC/C=C\CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100103147603 [0,1,0,1,0,0|1,0,1]=4 3432 B14R2.3314 CC/C=C\CN1C[C@@H]2C[C@H]1CN2C 2230a_100025763010_100103147603 [0,1,0,1,0,0|2,0,0]=4 3433 B14R2.3314 CC/C=C\CN1C[C@@H]2C[C@H]1CN2C 269982a_100025763010_100103147603 [0,1,0,1,0,0|2,0,0]=4 3434 B14R2.5202 O=C1CCCC1N2CCCCCC2 2230a_100000185865_100000211823 [0,1,0,1,0,0|0,0,2]=4 3435 B14R2.5202 O=C1CCCC1N2CCCCCC2 269982a_100000185865_100000211823 [0,1,0,1,0,0|0,0,2]=4 3436 B14R2.5202 O=C1CCCC1N2CCCCCC2 34a_100000185865_100000709159 [0,1,0,1,0,0|0,0,2]=4 3437 B14R2.5202 O=C1CCCC1N2CCCOCC2 2230a_100000685342_100000211823 [0,1,0,1,0,0|1,0,1]=4 3438 B14R2.5202 O=C1CCCC1N2CCCOCC2 269982a_100000685342_100000211823 [0,1,0,1,0,0|1,0,1]=4 3439 B14R2.5202 O=C1CCCC1N2CCCOCC2 34a_100000685342_100000709159 [0,1,0,1,0,0|1,0,1]=4 3440 B14R2.13702 CC/C=C\CCOC1CCC2C1C2 34a_200012295571_100015370543 [0,1,0,1,0,0|1,0,1]=4 3441 B14R2.277 O=C1CCC(=O)C1N2CC=CCC2 2230a_100000698166_100009820769 [0,1,0,1,0,0|1,0,1]=4 3442 B14R2.277 O=C1CCC(=O)C1N2CC=CCC2 269982a_100000698166_200134615298 [0,1,0,1,0,0|1,0,1]=4 3443 B14R2.4514 CN1CCC(C1=O)N2CC=CCC2 2230a_100000698166_100000755940 [0,1,0,1,0,0|2,0,0]=4 3444 B14R2.4514 CN1CCC(C1=O)N2CC=CCC2 269982a_100000698166_100000755940 [0,1,0,1,0,0|2,0,0]=4 3445 B14R2.4514 CN1CCC(C1=O)N2CC=CCC2 34a_100000698166_100000755940 [0,1,0,1,0,0|2,0,0]=4 3446 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [1,0,0,0,1,0|1,0,0]=3 3447 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [1,0,0,0,1,0|1,0,0]=3 3448 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [1,0,0,0,1,0|1,0,0]=3 3449 B10R1.57 CC/C=C\CNC1COC1 2230a_100016991112_100103147603 [1,0,0,0,1,0|2,0,0]=4 3450 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [1,0,0,0,1,0|1,0,0]=3 3451 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [1,0,0,0,1,0|1,0,0]=3 3452 B10R1.57 CC/C=C\COC1COC1 34a_100016268518_100009818527 [1,0,0,0,1,0|2,0,0]=4 3453 B10R1.57 CC/C=C\COC1CSC1 7a_100000072292_100103147603 [1,0,0,0,1,0|2,0,0]=4 3454 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [1,0,0,0,1,0|1,0,0]=3 3455 B10R1.57 CC/C=C\CSC1COC1 62a_100103147603_100009818527 [1,0,0,0,1,0|2,0,0]=4 3456 B10R1.57 CCC=NNCC1CCC1 4a_200020586977_100000210100 [1,0,0,0,1,0|2,0,0]=4 3457 B10R1.37 C/C=C/COC1CCC1=O 34a_100016270725_100009892977 [1,0,0,0,1,0|1,0,0]=3 3458 B10R1.37 C/C=C/CSC1CCC1=O 62a_100009892977_100102629194 [1,0,0,0,1,0|1,0,0]=3 3459 B10R1.37 C/C=C/CSC1CCC1=O 62a_100102629194_100009892977 [1,0,0,0,1,0|1,0,0]=3 3460 B10R1.37 CC=CCSC1CCC1=O 62a_100000070051_100009892977 [1,0,0,0,1,0|1,0,0]=3 3461 B10R1.37 CC=CCSC1CCC1=O 62a_100009892977_100000070051 [1,0,0,0,1,0|1,0,0]=3 3462 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [1,0,0,0,1,0|1,0,1]=4 3463 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [1,0,0,0,1,0|1,0,1]=4 3464 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [1,0,0,0,1,0|1,0,1]=4 3465 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [1,0,0,0,1,0|1,0,1]=4 3466 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [1,0,0,0,1,0|1,0,1]=4 3467 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [1,0,0,0,1,0|1,0,0]=3 3468 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [1,0,0,0,1,0|2,0,0]=4 3469 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [1,0,0,0,1,0|2,0,0]=4 3470 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [1,0,0,0,1,0|1,0,0]=3 3471 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [1,0,0,0,1,0|1,0,0]=3 3472 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [1,0,0,0,1,0|2,0,0]=4 3473 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [1,0,0,0,1,0|2,0,0]=4 3474 B12R0.113 CC/C=C\CCN(C)CC(=O)NC 2230a_100000189611_100015370543 [0,0,1,0,0,1|2,0,0]=4 3475 B12R0.113 CC/C=C\CCN(C)CC(=O)OC 2230a_100000198492_100015370543 [0,0,1,0,0,1|2,0,0]=4 3476 B12R0.113 CC/C=C\COC(C)CC(=O)OC 34a_100016268518_100009817358 [0,0,1,0,0,1|2,0,0]=4 3477 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100009817358_100103147603 [0,0,1,0,0,1|2,0,0]=4 3478 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100103147603_100009817358 [0,0,1,0,0,1|2,0,0]=4 3479 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,0,1,0,0,1|0,0,2]=4 3480 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,0,1,0,0,1|0,0,2]=4 3481 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,0,1,0,0,1|0,0,2]=4 3482 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,0,1,0,0,1|0,0,2]=4 3483 B14R1.1252 CC/C=C\CCN1CCCNC(=O)C1 2230a_100015190381_100015370543 [0,0,0,0,0,2|1,0,0]=3 3484 B14R1.1253 CC/C=C\CCN1CCNC(=O)CC1 2230a_100000698595_100015370543 [0,0,0,0,0,2|2,0,0]=4 3485 B14R1.1253 CC/C=C\CCN1CCNC(=O)CC1 269982a_100000698595_100015370543 [0,0,0,0,0,2|2,0,0]=4 3486 B14R1.138 CC/C=C\CNC1CCCCNC1=O 2230a_100000698827_100103147603 [0,0,0,0,0,2|1,0,0]=3 3487 B14R1.138 CC/C=C\CNC1CCCCNC1=O 34a_100000698827_100103147603 [0,0,0,0,0,2|1,0,0]=3 3488 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100000243696_100103147603 [0,0,0,0,0,2|1,0,0]=3 3489 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100103147603_100000243696 [0,0,0,0,0,2|1,0,0]=3 3490 B14R1.138 CC/C=C\CSC1CCCCNC1=O 62a_100000735217_100103147603 [0,0,0,0,0,2|1,0,0]=3 3491 B14R1.138 CC/C=C\CSC1CCCCNC1=O 62a_100103147603_100000735217 [0,0,0,0,0,2|1,0,0]=3 3492 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [2,0,1,0,0,0|1,0,0]=4 3493 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [2,0,1,0,0,0|1,0,0]=4 3494 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [2,0,1,0,0,0|1,0,0]=4 3495 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [2,0,1,0,0,0|1,0,0]=4 3496 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [2,0,1,0,0,0|1,0,0]=4 3497 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [2,0,1,0,0,0|1,0,0]=4 3498 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [2,0,1,0,0,0|1,0,0]=4 3499 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [2,0,1,0,0,0|1,0,0]=4 3500 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [2,0,1,0,0,0|1,0,0]=4 3501 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [2,0,1,0,0,0|1,0,0]=4 3502 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [2,0,1,0,0,0|1,0,0]=4 3503 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [2,0,1,0,0,0|1,0,0]=4 3504 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [2,0,1,0,0,0|1,0,0]=4 3505 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [2,0,1,0,0,0|1,0,0]=4 3506 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [2,0,1,0,0,0|1,0,0]=4 3507 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [2,0,1,0,0,0|1,0,0]=4 3508 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,1,0,0,0|1,0,0]=4 3509 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,1,0,0,0|1,0,0]=4 3510 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,1,0,0,0|1,0,0]=4 3511 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,1,0,0,0|1,0,0]=4 3512 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [2,0,1,0,0,0|1,0,0]=4 3513 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [2,0,1,0,0,0|1,0,0]=4 3514 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [2,0,1,0,0,0|1,0,0]=4 3515 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [2,0,1,0,0,0|1,0,0]=4 3516 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [2,0,1,0,0,0|1,0,0]=4 3517 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [2,0,1,0,0,0|1,0,0]=4 3518 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [2,0,1,0,0,0|1,0,0]=4 3519 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [2,0,1,0,0,0|1,0,0]=4 3520 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [2,0,1,0,0,0|1,0,0]=4 3521 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [2,0,1,0,0,0|1,0,0]=4 3522 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [2,0,1,0,0,0|1,0,0]=4 3523 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [2,0,1,0,0,0|1,0,0]=4 3524 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [2,0,1,0,0,0|1,0,0]=4 3525 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [2,0,1,0,0,0|1,0,0]=4 3526 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [2,0,1,0,0,0|1,0,0]=4 3527 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [2,0,1,0,0,0|1,0,0]=4 3528 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [2,0,1,0,0,0|1,0,0]=4 3529 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,1,0,0,0|1,0,0]=4 3530 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [2,0,1,0,0,0|1,0,0]=4 3531 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [2,0,1,0,0,0|1,0,0]=4 3532 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,1,0,0,0|1,0,0]=4 3533 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,1,0,0,0|1,0,0]=4 3534 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,1,0,0,0|1,0,0]=4 3535 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,1,0,0,0|1,0,0]=4 3536 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,1,0,0,0|1,0,0]=4 3537 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,1,0,0,0|1,0,0]=4 3538 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,1,0,0,0|1,0,0]=4 3539 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,1,0,0,0|1,0,0]=4 3540 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,1,0,0,0|1,0,0]=4 3541 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,1,0,0,0|1,0,0]=4 3542 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,1,0,0,0|1,0,0]=4 3543 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,1,0,0,0|1,0,0]=4 3544 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,1,0,0,0|1,0,0]=4 3545 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,1,0,0,0|1,0,0]=4 3546 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,1,0,0,0|1,0,0]=4 3547 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [2,0,1,0,0,0|0,0,0]=3 3548 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [2,0,1,0,0,0|0,0,0]=3 3549 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [2,0,1,0,0,0|1,0,0]=4 3550 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [2,0,1,0,0,0|1,0,0]=4 3551 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [2,0,1,0,0,0|1,0,0]=4 3552 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [2,0,1,0,0,0|1,0,0]=4 3553 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [2,0,1,0,0,0|1,0,0]=4 3554 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [2,0,1,0,0,0|1,0,0]=4 3555 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [2,0,1,0,0,0|1,0,0]=4 3556 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [2,0,1,0,0,0|1,0,0]=4 3557 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [2,0,1,0,0,0|1,0,0]=4 3558 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [2,0,1,0,0,0|1,0,0]=4 3559 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [2,0,1,0,0,0|1,0,0]=4 3560 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [2,0,1,0,0,0|1,0,0]=4 3561 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [2,0,1,0,0,0|1,0,0]=4 3562 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [2,0,1,0,0,0|1,0,0]=4 3563 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [2,0,1,0,0,0|1,0,0]=4 3564 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [2,0,1,0,0,0|1,0,0]=4 3565 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [2,0,1,0,0,0|1,0,0]=4 3566 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [2,0,1,0,0,0|0,0,0]=3 3567 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [2,0,1,0,0,0|1,0,0]=4 3568 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [2,0,1,0,0,0|1,0,0]=4 3569 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [2,0,1,0,0,0|1,0,0]=4 3570 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [2,0,1,0,0,0|1,0,0]=4 3571 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [2,0,1,0,0,0|1,0,0]=4 3572 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [2,0,1,0,0,0|0,0,0]=3 3573 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [2,0,1,0,0,0|1,0,0]=4 3574 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [2,0,1,0,0,0|1,0,0]=4 3575 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [2,0,1,0,0,0|1,0,0]=4 3576 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [2,0,1,0,0,0|1,0,0]=4 3577 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [2,0,1,0,0,0|1,0,0]=4 3578 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [2,0,1,0,0,0|1,0,0]=4 3579 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,1,0,0,0|1,0,0]=4 3580 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,1,0,0,0|1,0,0]=4 3581 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [2,0,1,0,0,0|1,0,0]=4 3582 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,1,0,0,0|1,0,0]=4 3583 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,1,0,0,0|1,0,0]=4 3584 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,1,0,0,0|1,0,0]=4 3585 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,1,0,0,0|1,0,0]=4 3586 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,1,0,0,0|0,0,0]=3 3587 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,1,0,0,0|0,0,0]=3 3588 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,1,0,0,0|1,0,0]=4 3589 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,1,0,0,0|1,0,0]=4 3590 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,1,0,0,0|1,0,0]=4 3591 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,1,0,0,0|1,0,0]=4 3592 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,1,0,0,0|1,0,0]=4 3593 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,1,0,0,0|1,0,0]=4 3594 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,1,0,0,0|1,0,0]=4 3595 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,1,0,0,0|1,0,0]=4 3596 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,1,0,0,0|1,0,0]=4 3597 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,1,0,0,0|1,0,0]=4 3598 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,1,0,0,0|1,0,0]=4 3599 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,1,0,0,0|1,0,0]=4 3600 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,1,0,0,0|1,0,0]=4 3601 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,1,0,0,0|1,0,0]=4 3602 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,1,0,0,0|1,0,0]=4 3603 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,1,0,0,0|1,0,0]=4 3604 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,1,0,0,0|1,0,0]=4 3605 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,1,0,0,0|1,0,0]=4 3606 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,1,0,0,0|1,0,0]=4 3607 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,1,0,0,0|1,0,0]=4 3608 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [2,0,1,0,0,0|1,0,0]=4 3609 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [2,0,1,0,0,0|1,0,0]=4 3610 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [2,0,1,0,0,0|1,0,0]=4 3611 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [2,0,1,0,0,0|1,0,0]=4 3612 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [2,0,1,0,0,0|1,0,0]=4 3613 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [2,0,1,0,0,0|1,0,0]=4 3614 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [2,0,1,0,0,0|1,0,0]=4 3615 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [2,0,1,0,0,0|0,0,0]=3 3616 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [2,0,1,0,0,0|1,0,0]=4 3617 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [2,0,1,0,0,0|1,0,0]=4 3618 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [2,0,1,0,0,0|1,0,0]=4 3619 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [2,0,1,0,0,0|1,0,0]=4 3620 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [2,0,1,0,0,0|1,0,0]=4 3621 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [2,0,1,0,0,0|1,0,0]=4 3622 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [2,0,1,0,0,0|1,0,0]=4 3623 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [2,0,1,0,0,0|1,0,0]=4 3624 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [2,0,1,0,0,0|1,0,0]=4 3625 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [2,0,1,0,0,0|1,0,0]=4 3626 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [2,0,1,0,0,0|1,0,0]=4 3627 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,1,0,0,0|0,0,1]=4 3628 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,1,0,0,0|0,0,1]=4 3629 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,1,0,0,0|1,0,0]=4 3630 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [2,0,1,0,0,0|1,0,0]=4 3631 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [2,0,1,0,0,0|1,0,0]=4 3632 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [2,0,1,0,0,0|1,0,0]=4 3633 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [2,0,1,0,0,0|1,0,0]=4 3634 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [2,0,1,0,0,0|1,0,0]=4 3635 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [2,0,1,0,0,0|1,0,0]=4 3636 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [2,0,1,0,0,0|1,0,0]=4 3637 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [2,0,1,0,0,0|0,0,1]=4 3638 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [2,0,1,0,0,0|0,0,1]=4 3639 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [2,0,1,0,0,0|0,0,1]=4 3640 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [2,0,1,0,0,0|0,0,0]=3 3641 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [2,0,1,0,0,0|0,0,0]=3 3642 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [2,0,1,0,0,0|0,0,0]=3 3643 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [2,0,1,0,0,0|1,0,0]=4 3644 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [2,0,1,0,0,0|1,0,0]=4 3645 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [2,0,1,0,0,0|1,0,0]=4 3646 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [2,0,1,0,0,0|1,0,0]=4 3647 B9R0.8 C=CCCN(C)C(=O)CC 11a_100020639649_100000210414 [2,0,1,0,0,0|1,0,0]=4 3648 B9R0.8 C=CCCN(C)C(=O)CC 1626a_100020639649_100000210414 [2,0,1,0,0,0|1,0,0]=4 3649 B9R0.8 C=CCCN(C)C(=O)CC 240690a_100020639649_100000210414 [2,0,1,0,0,0|1,0,0]=4 3650 B9R0.8 C=CCCN(C)C(=O)CC 527a_100020639649_100000210414 [2,0,1,0,0,0|1,0,0]=4 3651 B9R0.8 C=CCNC(C)C(=O)CC 2230a_100020586998_100000742827 [2,0,1,0,0,0|1,0,0]=4 3652 B9R0.8 C=CCSC(C)C(=O)CC 1458a_100000230602_100000210202 [2,0,1,0,0,0|1,0,0]=4 3653 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000210623_100000742827 [2,0,1,0,0,0|1,0,0]=4 3654 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000742827_100000210623 [2,0,1,0,0,0|1,0,0]=4 3655 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [2,0,1,0,0,0|0,0,0]=3 3656 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [2,0,1,0,0,0|0,0,0]=3 3657 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [2,0,1,0,0,0|1,0,0]=4 3658 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [2,0,1,0,0,0|1,0,0]=4 3659 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [2,0,1,0,0,0|1,0,0]=4 3660 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [2,0,1,0,0,0|1,0,0]=4 3661 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [2,0,1,0,0,0|1,0,0]=4 3662 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [2,0,1,0,0,0|1,0,0]=4 3663 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [2,0,1,0,0,0|1,0,0]=4 3664 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [2,0,1,0,0,0|1,0,0]=4 3665 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [2,0,1,0,0,0|1,0,0]=4 3666 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [2,0,1,0,0,0|1,0,0]=4 3667 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [2,0,1,0,0,0|1,0,0]=4 3668 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [2,0,1,0,0,0|1,0,0]=4 3669 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [2,0,1,0,0,0|1,0,0]=4 3670 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [3,0,0,0,0,0|1,0,0]=4 3671 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [3,0,0,0,0,0|1,0,0]=4 3672 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [3,0,0,0,0,0|1,0,0]=4 3673 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [3,0,0,0,0,0|1,0,0]=4 3674 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [3,0,0,0,0,0|1,0,0]=4 3675 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,1,1,0,0,0|1,0,0]=4 3676 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,1,1,0,0,0|1,0,0]=4 3677 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [1,1,1,0,0,0|1,0,0]=4 3678 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [1,1,1,0,0,0|1,0,0]=4 3679 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [1,1,1,0,0,0|1,0,0]=4 3680 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [1,1,1,0,0,0|1,0,0]=4 3681 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [1,1,1,0,0,0|1,0,0]=4 3682 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [1,1,1,0,0,0|1,0,0]=4 3683 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [1,1,1,0,0,0|1,0,0]=4 3684 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [1,1,1,0,0,0|1,0,0]=4 3685 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [1,1,1,0,0,0|1,0,0]=4 3686 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [1,1,1,0,0,0|1,0,0]=4 3687 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [1,1,1,0,0,0|1,0,0]=4 3688 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [1,1,1,0,0,0|1,0,0]=4 3689 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [1,1,1,0,0,0|1,0,0]=4 3690 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [1,1,1,0,0,0|1,0,0]=4 3691 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000139335_100000761012 [1,1,1,0,0,0|1,0,0]=4 3692 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000761012_100000139335 [1,1,1,0,0,0|1,0,0]=4 3693 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [1,1,1,0,0,0|1,0,0]=4 3694 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [1,1,1,0,0,0|1,0,0]=4 3695 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [1,1,1,0,0,0|1,0,0]=4 3696 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [1,1,1,0,0,0|1,0,0]=4 3697 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [1,1,1,0,0,0|1,0,0]=4 3698 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [1,1,1,0,0,0|1,0,0]=4 3699 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [1,1,1,0,0,0|1,0,0]=4 3700 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [1,1,1,0,0,0|1,0,0]=4 3701 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [1,1,1,0,0,0|1,0,0]=4 3702 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [1,1,1,0,0,0|1,0,0]=4 3703 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [1,1,1,0,0,0|1,0,0]=4 3704 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [1,1,1,0,0,0|1,0,0]=4 3705 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [1,1,1,0,0,0|1,0,0]=4 3706 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [1,1,1,0,0,0|1,0,0]=4 3707 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [1,1,1,0,0,0|1,0,0]=4 3708 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [1,1,1,0,0,0|1,0,0]=4 3709 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [1,1,1,0,0,0|1,0,0]=4 3710 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [1,1,1,0,0,0|1,0,0]=4 3711 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [1,1,1,0,0,0|1,0,0]=4 3712 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [1,1,1,0,0,0|1,0,0]=4 3713 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [1,1,1,0,0,0|1,0,0]=4 3714 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [1,1,1,0,0,0|1,0,0]=4 3715 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [1,1,1,0,0,0|1,0,0]=4 3716 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [1,1,1,0,0,0|1,0,0]=4 3717 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [1,1,1,0,0,0|1,0,0]=4 3718 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [1,1,1,0,0,0|1,0,0]=4 3719 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [1,1,1,0,0,0|1,0,0]=4 3720 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [1,1,1,0,0,0|1,0,0]=4 3721 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [1,1,1,0,0,0|1,0,0]=4 3722 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [1,1,1,0,0,0|1,0,0]=4 3723 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [1,1,1,0,0,0|1,0,0]=4 3724 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [1,1,1,0,0,0|1,0,0]=4 3725 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [1,1,1,0,0,0|1,0,0]=4 3726 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [1,1,1,0,0,0|1,0,0]=4 3727 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [1,1,1,0,0,0|1,0,0]=4 3728 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,1,0,0,0|0,0,1]=4 3729 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,1,0,0,0|0,0,1]=4 3730 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,1,0,0,0|0,0,1]=4 3731 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [1,1,1,0,0,0|0,0,0]=3 3732 B11R0.2 CC/C=C\CCC(=O)CN(C)C 1458a_100000750896_100015370543 [1,1,1,0,0,0|1,0,0]=4 3733 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [1,1,1,0,0,0|0,0,0]=3 3734 B11R0.2 CC/C=C\CCC(=O)C[S+](C)C 1458a_200159257847_100015370543 [1,1,1,0,0,0|1,0,0]=4 3735 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [1,1,1,0,0,0|0,0,1]=4 3736 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [1,1,1,0,0,0|0,0,1]=4 3737 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [1,1,1,0,0,0|0,0,1]=4 3738 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [1,1,1,0,0,0|0,0,1]=4 3739 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [1,1,1,0,0,0|1,0,0]=4 3740 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [1,1,1,0,0,0|1,0,0]=4 3741 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [1,1,1,0,0,0|0,0,1]=4 3742 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [1,1,1,0,0,0|0,0,1]=4 3743 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [1,1,1,0,0,0|1,0,0]=4 3744 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [1,1,1,0,0,0|1,0,0]=4 3745 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [1,1,1,0,0,0|0,0,1]=4 3746 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [1,1,1,0,0,0|0,0,1]=4 3747 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [1,1,1,0,0,0|1,0,0]=4 3748 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [1,1,1,0,0,0|1,0,0]=4 3749 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [1,1,1,0,0,0|1,0,0]=4 3750 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [1,1,1,0,0,0|1,0,0]=4 3751 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [1,1,1,0,0,0|1,0,0]=4 3752 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [1,1,1,0,0,0|1,0,0]=4 3753 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [1,1,1,0,0,0|1,0,0]=4 3754 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [1,1,1,0,0,0|1,0,0]=4 3755 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [1,1,1,0,0,0|1,0,0]=4 3756 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,1,0,0,0|0,0,1]=4 3757 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [1,1,1,0,0,0|0,0,1]=4 3758 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [1,1,1,0,0,0|0,0,1]=4 3759 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [1,1,1,0,0,0|1,0,0]=4 3760 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [1,1,1,0,0,0|1,0,0]=4 3761 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [1,1,1,0,0,0|1,0,0]=4 3762 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [1,1,1,0,0,0|1,0,0]=4 3763 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [1,1,1,0,0,0|1,0,0]=4 3764 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [1,1,1,0,0,0|1,0,0]=4 3765 B11R0.42 CC/C=C\COCC(=O)C(C)C 34a_100016268518_100000753385 [1,1,1,0,0,0|1,0,0]=4 3766 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100000753385_100103147603 [1,1,1,0,0,0|1,0,0]=4 3767 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100103147603_100000753385 [1,1,1,0,0,0|1,0,0]=4 3768 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [1,1,1,0,0,0|0,0,1]=4 3769 B11R0.125 CC/C=C\COC(C)(C)C(=O)C 34a_100000747739_100103147603 [1,1,1,0,0,0|1,0,0]=4 3770 B11R0.125 CC/C=C\COC(C)(C)C(=O)C 7a_100000747739_100103147603 [1,1,1,0,0,0|1,0,0]=4 3771 B11R0.125 CC/C=C\CSC(C)(C)C(=O)C 62a_100000075568_100103147603 [1,1,1,0,0,0|1,0,0]=4 3772 B11R0.125 CC/C=C\CSC(C)(C)C(=O)C 62a_100103147603_100000075568 [1,1,1,0,0,0|1,0,0]=4 3773 B11R0.139 CC/C=C/CC(=O)C(C)C(=O)C 1458a_100016274230_100000179758 [1,1,1,0,0,0|0,0,1]=4 3774 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [1,1,1,0,0,0|1,0,0]=4 3775 B11R0.75 C/C=C/CN[C@@H](CC)C(=O)NC 34a_106657271573_100102629194 [1,1,1,0,0,0|1,0,0]=4 3776 B11R0.75 C/C=C/COC(CC)C(=O)CC 34a_200011218131_100102629194 [1,1,1,0,0,0|1,0,0]=4 3777 B11R0.75 C/C=C/COC(CC)C(=O)CC 7a_200011218131_100102629194 [1,1,1,0,0,0|1,0,0]=4 3778 B11R0.75 C/C=C/COC(CC)C(=O)OC 34a_100000695916_100102629194 [1,1,1,0,0,0|1,0,0]=4 3779 B11R0.75 C/C=C/COC(CC)C(=O)OC 34a_100016270725_100000235869 [1,1,1,0,0,0|1,0,0]=4 3780 B11R0.75 C/C=C/COC(CC)C(=O)OC 7a_100000695916_100102629194 [1,1,1,0,0,0|1,0,0]=4 3781 B11R0.75 C/C=C/CSC(CC)C(=O)OC 62a_100000235869_100102629194 [1,1,1,0,0,0|1,0,0]=4 3782 B11R0.75 C/C=C/CSC(CC)C(=O)OC 62a_100102629194_100000235869 [1,1,1,0,0,0|1,0,0]=4 3783 B11R0.75 CC=CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000070051 [1,1,1,0,0,0|1,0,0]=4 3784 B11R0.75 CC=CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000070051 [1,1,1,0,0,0|1,0,0]=4 3785 B11R0.75 CC=CCOC(CC)C(=O)CC 34a_200011218131_100000070051 [1,1,1,0,0,0|1,0,0]=4 3786 B11R0.75 CC=CCOC(CC)C(=O)CC 7a_200011218131_100000070051 [1,1,1,0,0,0|1,0,0]=4 3787 B11R0.75 CC=CCOC(CC)C(=O)OC 34a_100000695916_100000070051 [1,1,1,0,0,0|1,0,0]=4 3788 B11R0.75 CC=CCOC(CC)C(=O)OC 7a_100000695916_100000070051 [1,1,1,0,0,0|1,0,0]=4 3789 B11R0.75 CC=CCSC(CC)C(=O)OC 62a_100000070051_100000235869 [1,1,1,0,0,0|1,0,0]=4 3790 B11R0.75 CC=CCSC(CC)C(=O)OC 62a_100000235869_100000070051 [1,1,1,0,0,0|1,0,0]=4 3791 B11R0.75 CCCCCC(CC)C(=O)CC 1458a_100000697129_100000210202 [1,1,1,0,0,0|0,0,1]=4 3792 B11R0.75 CCCCCC(CC)C(=O)CF 1458a_100000697129_100015361967 [1,1,1,0,0,0|0,0,1]=4 3793 B11R0.75 CCCCCC(CC)C(=O)NC 11a_106832991635_100000697129 [1,1,1,0,0,0|0,0,1]=4 3794 B11R0.75 CCCCCC(CC)C(=O)NC 1626a_100102657272_100000697129 [1,1,1,0,0,0|0,0,1]=4 3795 B11R0.75 CCCCCC(CC)C(=O)NC 240690a_100102657272_100000697129 [1,1,1,0,0,0|0,0,1]=4 3796 B11R0.75 CCCCCC(CC)C(=O)NC 527a_100102657272_100000697129 [1,1,1,0,0,0|0,0,1]=4 3797 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [1,1,1,0,0,0|0,0,1]=4 3798 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [1,1,1,0,0,0|0,0,1]=4 3799 B11R0.73 CC=CCC(=O)C(C)C(=O)CC 1458a_100121576822_100000742827 [1,1,1,0,0,0|0,0,1]=4 3800 B11R0.73 CCC=CC(=O)C(C)C(=O)CC 1458a_100000212282_100000742827 [1,1,1,0,0,0|0,0,1]=4 3801 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [1,1,1,0,0,0|1,0,0]=4 3802 B11R0.120 CCC(=O)CSC(C)C(=O)CC 62a_100000742827_100000747405 [1,1,1,0,0,0|1,0,0]=4 3803 B11R0.120 CCC(=O)CSC(C)C(=O)CC 62a_100000747405_100000742827 [1,1,1,0,0,0|1,0,0]=4 3804 B11R0.145 CCC(=O)C(C)SCC=C(C)C 62a_100000742827_100000761012 [1,1,1,0,0,0|1,0,0]=4 3805 B11R0.145 CCC(=O)C(C)SCC=C(C)C 62a_100000761012_100000742827 [1,1,1,0,0,0|1,0,0]=4 3806 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [1,1,1,0,0,0|1,0,0]=4 3807 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [2,1,0,0,0,0|0,0,1]=4 3808 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [2,1,0,0,0,0|0,0,1]=4 3809 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [2,1,0,0,0,0|1,0,0]=4 3810 B11R1.90 C=C(C)COC1CCCC1=O 34a_100000210245_100000709159 [2,1,0,0,0,0|1,0,0]=4 3811 B11R1.90 C=C(C)COC1CCCC1=O 34a_200000719330_100000748629 [2,1,0,0,0,0|1,0,0]=4 3812 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000211823_100000211660 [2,1,0,0,0,0|1,0,0]=4 3813 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000748629_100000211823 [2,1,0,0,0,0|1,0,0]=4 3814 B11R1.90 C=C(F)COC1CCCC1=O 34a_200000719330_100009893438 [2,1,0,0,0,0|1,0,0]=4 3815 B11R1.90 C=C(F)COC1CCCC1=O 34a_200010262243_100000709159 [2,1,0,0,0,0|1,0,0]=4 3816 B11R1.90 C=C(F)CSC1CCCC1=O 62a_100000042424_100000211823 [2,1,0,0,0,0|1,0,0]=4 3817 B11R1.90 C=C(F)CSC1CCCC1=O 62a_100000211823_100000042424 [2,1,0,0,0,0|1,0,0]=4 3818 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [2,1,0,0,0,0|1,0,0]=4 3819 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [2,1,0,0,0,0|1,0,0]=4 3820 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [2,1,0,0,0,0|1,0,0]=4 3821 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [2,1,0,0,0,0|1,0,0]=4 3822 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [2,1,0,0,0,0|1,0,0]=4 3823 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [2,1,0,0,0,0|1,0,0]=4 3824 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [2,1,0,0,0,0|1,0,0]=4 3825 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [2,1,0,0,0,0|1,0,0]=4 3826 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [2,1,0,0,0,0|1,0,0]=4 3827 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [2,1,0,0,0,0|1,0,0]=4 3828 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [2,1,0,0,0,0|1,0,0]=4 3829 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [2,1,0,0,0,0|1,0,0]=4 3830 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [2,1,0,0,0,0|1,0,0]=4 3831 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [2,1,0,0,0,0|1,0,0]=4 3832 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [2,1,0,0,0,0|1,0,0]=4 3833 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [2,1,0,0,0,0|1,0,0]=4 3834 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [2,1,0,0,0,0|1,0,0]=4 3835 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [2,1,0,0,0,0|1,0,0]=4 3836 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [2,1,0,0,0,0|1,0,0]=4 3837 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [2,1,0,0,0,0|1,0,0]=4 3838 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [2,1,0,0,0,0|1,0,0]=4 3839 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [2,1,0,0,0,0|1,0,0]=4 3840 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [2,1,0,0,0,0|1,0,0]=4 3841 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [2,1,0,0,0,0|1,0,0]=4 3842 B11R1.199 C=CCC(=O)C1CCCC1=O 1458a_100000210193_100000211823 [2,1,0,0,0,0|0,0,1]=4 3843 B11R1.199 C=CCN(C)C1CCCC1=O 2230a_100000225617_100000211823 [2,1,0,0,0,0|1,0,0]=4 3844 B11R1.199 C=CCN(C)C1CCCC1=O 269982a_100000225617_100000211823 [2,1,0,0,0,0|1,0,0]=4 3845 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [2,1,0,0,0,0|0,0,1]=4 3846 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [2,1,0,0,0,0|0,0,1]=4 3847 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [2,1,0,0,0,0|1,0,0]=4 3848 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [2,1,0,0,0,0|1,0,0]=4 3849 B11R1.228 C=CC(C)OC1CCCC1=O 34a_100000695699_100000709159 [2,1,0,0,0,0|1,0,0]=4 3850 B11R1.228 C=CC(C)SC1CCCC1=O 62a_100011215867_100000211823 [2,1,0,0,0,0|1,0,0]=4 3851 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [2,1,0,0,0,0|1,0,0]=4 3852 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [2,1,0,0,0,0|1,0,0]=4 3853 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [2,1,0,0,0,0|1,0,0]=4 3854 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [2,1,0,0,0,0|1,0,0]=4 3855 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [2,1,0,0,0,0|1,0,0]=4 3856 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [2,1,0,0,0,0|1,0,0]=4 3857 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [1,1,0,0,1,0|0,0,0]=3 3858 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [1,1,0,0,1,0|0,0,0]=3 3859 B11R1.47 CC/C=C\CCNC1COC1 2230a_100016991112_100015370543 [1,1,0,0,1,0|1,0,0]=4 3860 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [1,1,0,0,1,0|0,0,0]=3 3861 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [1,1,0,0,1,0|0,0,0]=3 3862 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [1,1,0,0,1,0|1,0,0]=4 3863 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [1,1,0,0,1,0|1,0,0]=4 3864 B11R1.47 CC/C=C\CCOC1CSC1 7a_100000072292_100015370543 [1,1,0,0,1,0|1,0,0]=4 3865 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [1,1,0,0,1,0|0,0,0]=3 3866 B11R1.47 CC/C=C\CCSC1COC1 62a_100015370543_100009818527 [1,1,0,0,1,0|1,0,0]=4 3867 B11R1.47 CC/C=C\CNCC1CCC1 2230a_100000738700_100103147603 [1,1,0,0,1,0|0,0,0]=3 3868 B11R1.47 CC/C=C\CNCC1CCC1 34a_100000738700_100103147603 [1,1,0,0,1,0|0,0,0]=3 3869 B11R1.47 CC/C=C\CNCC1COC1 2230a_100015281925_100103147603 [1,1,0,0,1,0|1,0,0]=4 3870 B11R1.47 CC/C=C\CNCC1COC1 34a_100015281925_100103147603 [1,1,0,0,1,0|1,0,0]=4 3871 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 2230a_100020831831_100103147603 [1,1,0,0,1,0|1,0,0]=4 3872 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 34a_100020831831_100103147603 [1,1,0,0,1,0|1,0,0]=4 3873 B11R1.47 CC/C=C\COCC1CCC1 34a_100000760304_100103147603 [1,1,0,0,1,0|0,0,0]=3 3874 B11R1.47 CC/C=C\COCC1CCC1 34a_100016268518_100000763275 [1,1,0,0,1,0|0,0,0]=3 3875 B11R1.47 CC/C=C\COCC1CCO1 34a_100000039022_100103147603 [1,1,0,0,1,0|1,0,0]=4 3876 B11R1.47 CC/C=C\COCC1CCO1 34a_100016268518_100000103362 [1,1,0,0,1,0|1,0,0]=4 3877 B11R1.47 CC/C=C\COCC1CNC1 34a_100016987283_100103147603 [1,1,0,0,1,0|1,0,0]=4 3878 B11R1.47 CC/C=C\COCC1COC1 34a_100000060846_100103147603 [1,1,0,0,1,0|1,0,0]=4 3879 B11R1.47 CC/C=C\COCC1COC1 34a_100016268518_100010264016 [1,1,0,0,1,0|1,0,0]=4 3880 B11R1.47 CC/C=C\CSCC1CCC1 62a_100000763275_100103147603 [1,1,0,0,1,0|0,0,0]=3 3881 B11R1.47 CC/C=C\CSCC1CCC1 62a_100103147603_100000763275 [1,1,0,0,1,0|0,0,0]=3 3882 B11R1.47 CC/C=C\CSCC1CCO1 62a_100000103362_100103147603 [1,1,0,0,1,0|1,0,0]=4 3883 B11R1.47 CC/C=C\CSCC1CCO1 62a_100103147603_100000103362 [1,1,0,0,1,0|1,0,0]=4 3884 B11R1.47 CC/C=C\CSCC1COC1 62a_100010264016_100103147603 [1,1,0,0,1,0|1,0,0]=4 3885 B11R1.47 CC/C=C\CSCC1COC1 62a_100103147603_100010264016 [1,1,0,0,1,0|1,0,0]=4 3886 B11R1.47 CCC/C=C/COC1CCC1 34a_100016278788_100000749161 [1,1,0,0,1,0|1,0,0]=4 3887 B11R1.78 CC/C=C\CCN1CC(C1)C 2230a_100000702820_100015370543 [1,1,0,0,1,0|1,0,0]=4 3888 B11R1.78 CC/C=C\CCN1CC(C1)C 269982a_100000702820_100015370543 [1,1,0,0,1,0|1,0,0]=4 3889 B11R1.78 CC/C=C\CCN1CC(C1)C 34a_100000702820_100015370543 [1,1,0,0,1,0|1,0,0]=4 3890 B11R1.78 CC/C=C\CCN1CC(C1)F 2230a_100000690557_100015370543 [1,1,0,0,1,0|1,0,0]=4 3891 B11R1.78 CC/C=C\CCN1CC(C1)F 269982a_100000690557_100015370543 [1,1,0,0,1,0|1,0,0]=4 3892 B11R1.78 CC/C=C\CCN1CC(C1)F 34a_100000690557_100015370543 [1,1,0,0,1,0|1,0,0]=4 3893 B11R1.78 CC/C=C\CCN1CC(C1)O 269982a_100000749847_100015370543 [1,1,0,0,1,0|1,0,0]=4 3894 B11R1.78 CC/C=C\CNC1CC(C1)F 2230a_100016993743_100103147603 [1,1,0,0,1,0|1,0,0]=4 3895 B11R1.78 CC/C=C\CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100103147603 [1,1,0,0,1,0|1,0,0]=4 3896 B11R1.284 CCC=CC(=O)CC1CCC1 1458a_100000212282_100000763275 [1,1,0,0,1,0|0,0,1]=4 3897 B11R1.299 CC/C=C/CC(=O)C1CCC1 1458a_100016274230_100000749161 [1,1,0,0,1,0|0,0,1]=4 3898 B11R1.299 CC/C=C\CC(=O)C1CCC1 1458a_100000209988_100103147603 [1,1,0,0,1,0|0,0,1]=4 3899 B11R1.299 CC/C=C\CN(C)C1CCC1 2230a_100000758072_100103147603 [1,1,0,0,1,0|1,0,0]=4 3900 B11R1.299 CC/C=C\CN(C)C1CCC1 269982a_100000758072_100103147603 [1,1,0,0,1,0|1,0,0]=4 3901 B11R1.299 CC/C=C\CN(C)C1CCC1 34a_100000758072_100103147603 [1,1,0,0,1,0|1,0,0]=4 3902 B11R1.899 CC/C=C\CNC1(CCC1)C 2230a_100000692455_100103147603 [1,1,0,0,1,0|1,0,0]=4 3903 B11R1.899 CC/C=C\CNC1(CCC1)C 34a_100000692455_100103147603 [1,1,0,0,1,0|1,0,0]=4 3904 B11R1.899 CC/C=C\COC1(CCC1)C 34a_100000759064_100103147603 [1,1,0,0,1,0|1,0,0]=4 3905 B11R1.899 CC/C=C\COC1(CCC1)C 7a_100000759064_100103147603 [1,1,0,0,1,0|1,0,0]=4 3906 B11R1.161 CC(=CCNC1CCC1=O)C 34a_100000718196_100009892977 [1,1,0,0,1,0|1,0,0]=4 3907 B11R1.161 CC(=CCOC1CCC1=O)C 34a_100000753907_100009892977 [1,1,0,0,1,0|1,0,0]=4 3908 B11R1.161 CC(=CCSC1CCC1=O)C 62a_100000761012_100009892977 [1,1,0,0,1,0|1,0,0]=4 3909 B11R1.161 CC(=CCSC1CCC1=O)C 62a_100009892977_100000761012 [1,1,0,0,1,0|1,0,0]=4 3910 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [1,1,0,0,1,0|1,0,0]=4 3911 B11R1.161 CC(C)SCCC1CCC1=O 62a_100000210206_200016118888 [1,1,0,0,1,0|1,0,0]=4 3912 B11R1.161 CC(C)SCCC1CCC1=O 62a_200016118888_100000210206 [1,1,0,0,1,0|1,0,0]=4 3913 B11R1.223 C=CC(=O)CCC1CCC1=O 1458a_100000185746_200016118888 [1,1,0,0,1,0|0,0,1]=4 3914 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [1,1,0,0,1,0|0,0,0]=3 3915 B11R1.223 CCC(=O)COC1CCC1=O 34a_100000725409_100009892977 [1,1,0,0,1,0|1,0,0]=4 3916 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100000747405_100009892977 [1,1,0,0,1,0|1,0,0]=4 3917 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100009892977_100000747405 [1,1,0,0,1,0|1,0,0]=4 3918 B11R1.223 CCN(C)CCC1CCC1=O 2230a_100000225621_200016118888 [1,1,0,0,1,0|1,0,0]=4 3919 B11R1.223 CCN(C)CCC1CCC1=O 269982a_100000225621_200016118888 [1,1,0,0,1,0|1,0,0]=4 3920 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [1,1,0,0,1,0|1,0,0]=4 3921 B11R1.286 CC=CCC(=O)C1CCC1=O 1458a_100121576822_100009892977 [1,1,0,0,1,0|0,0,1]=4 3922 B11R1.286 CCC=CC(=O)C1CCC1=O 1458a_100000212282_100009892977 [1,1,0,0,1,0|0,0,1]=4 3923 B11R1.291 C/C=C/C(C)OC1CCC1=O 34a_200102604097_100009892977 [1,1,0,0,1,0|1,0,0]=4 3924 B13R0.151 CC/C=C\CC(=O)C(C)NC(=O)CC 1458a_100000194823_100103147603 [0,1,1,0,0,1|0,0,1]=4 3925 B13R0.274 CC/C=C\CCOC(C)CC(=O)OC 34a_100016288707_100009817358 [0,1,1,0,0,1|1,0,0]=4 3926 B13R0.274 CC/C=C\CCOC(C)CC(=O)OC 7a_100016288707_100009817358 [0,1,1,0,0,1|1,0,0]=4 3927 B13R0.274 CC/C=C\CCSC(C)CC(=O)OC 62a_100009817358_100015370543 [0,1,1,0,0,1|1,0,0]=4 3928 B13R0.274 CC/C=C\CCSC(C)CC(=O)OC 62a_100015370543_100009817358 [0,1,1,0,0,1|1,0,0]=4 3929 B13R0.330 CC/C=C\CCN(C)CC(=O)NCC 2230a_100000741943_100015370543 [0,1,1,0,0,1|1,0,0]=4 3930 B13R0.330 CC/C=C\CCN(C)CC(=O)NCC 269982a_100000741943_100015370543 [0,1,1,0,0,1|1,0,0]=4 3931 B13R0.330 CC/C=C\CCN(C)CC(=O)OCC 2230a_100000220588_100015370543 [0,1,1,0,0,1|1,0,0]=4 3932 B13R0.330 CC/C=C\CO[C@H](C)CC(=O)OCC 7a_100009816390_100103147603 [0,1,1,0,0,1|1,0,0]=4 3933 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100009817359_100103147603 [0,1,1,0,0,1|1,0,0]=4 3934 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100103147603_100009817359 [0,1,1,0,0,1|1,0,0]=4 3935 B13R0.330 CC/C=C\CSC(C)OC(=O)OCC 62a_100000036008_100103147603 [0,1,1,0,0,1|1,0,0]=4 3936 B13R0.330 CC/C=C\CSC(C)OC(=O)OCC 62a_100103147603_100000036008 [0,1,1,0,0,1|1,0,0]=4 3937 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,2,1,0,0,0|0,0,1]=4 3938 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,2,1,0,0,0|0,0,1]=4 3939 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000139335_100000737597 [0,2,1,0,0,0|1,0,0]=4 3940 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000737597_100000139335 [0,2,1,0,0,0|1,0,0]=4 3941 B13R0.2 CCNC(=O)CNCCCCCC=O 2230a_100016988866_100000139337 [0,2,1,0,0,0|1,0,0]=4 3942 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000139337_100000183381 [0,2,1,0,0,0|1,0,0]=4 3943 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000183381_100000139337 [0,2,1,0,0,0|1,0,0]=4 3944 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,2,1,0,0,0|1,0,0]=4 3945 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,2,1,0,0,0|1,0,0]=4 3946 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,2,1,0,0,0|1,0,0]=4 3947 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,2,1,0,0,0|1,0,0]=4 3948 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,2,1,0,0,0|1,0,0]=4 3949 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,2,1,0,0,0|1,0,0]=4 3950 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,2,1,0,0,0|1,0,0]=4 3951 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,2,1,0,0,0|1,0,0]=4 3952 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,2,1,0,0,0|1,0,0]=4 3953 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,2,1,0,0,0|1,0,0]=4 3954 B13R0.66 C=CCCCCCCC(=O)C=CCC 1458a_100000212282_100011215473 [0,2,1,0,0,0|1,0,0]=4 3955 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,1,0,0,0|1,0,0]=4 3956 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,1,0,0,0|1,0,0]=4 3957 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,1,0,0,0|1,0,0]=4 3958 B13R0.335 CC/C=C\CCNCC(O)CC(=O)O 269956a_100011218706_100015370543 [0,2,1,0,0,0|1,0,0]=4 3959 B13R0.54 C=C(C)CCOCCCC/C=C\CC 34a_100016287862_100000730704 [0,2,1,0,0,0|1,0,0]=4 3960 B13R0.54 C=C(C)CCOCCCC/C=C\CC 7a_100016287862_100000730704 [0,2,1,0,0,0|1,0,0]=4 3961 B13R0.54 C=C(C)COCCCCC/C=C\CC 34a_100016268722_100000748629 [0,2,1,0,0,0|1,0,0]=4 3962 B13R0.54 C=C(C)COCCCCC/C=C\CC 7a_100016268722_100000748629 [0,2,1,0,0,0|1,0,0]=4 3963 B13R0.54 C=C(F)COCCCCC/C=C\CC 34a_100016268722_100009893438 [0,2,1,0,0,0|1,0,0]=4 3964 B13R0.54 C=C(F)COCCCCC/C=C\CC 7a_100016268722_100000042424 [0,2,1,0,0,0|1,0,0]=4 3965 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,2,1,0,0,0|0,0,0]=3 3966 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,2,1,0,0,0|0,0,0]=3 3967 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,2,1,0,0,0|0,0,0]=3 3968 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,2,1,0,0,0|0,0,0]=3 3969 B13R0.54 CC/C=C/CCCOCCNC(=O)C 7a_100016287902_100000189650 [0,2,1,0,0,0|1,0,0]=4 3970 B13R0.54 CC/C=C/CCCOCCNC(=O)N 7a_100016287902_200000034859 [0,2,1,0,0,0|1,0,0]=4 3971 B13R0.54 CC/C=C/CCCOCCOC(=O)C 34a_100016287902_100009814007 [0,2,1,0,0,0|1,0,0]=4 3972 B13R0.54 CC/C=C/CCCOCCOC(=O)C 7a_100016287902_100009814007 [0,2,1,0,0,0|1,0,0]=4 3973 B13R0.54 CC/C=C/CCCOCCOC(=O)N 34a_100016287902_200011214921 [0,2,1,0,0,0|1,0,0]=4 3974 B13R0.54 CC/C=C/CCCOCCOC(=O)N 7a_100016287902_200011214921 [0,2,1,0,0,0|1,0,0]=4 3975 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,2,1,0,0,0|0,0,0]=3 3976 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,2,1,0,0,0|0,0,0]=3 3977 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,2,1,0,0,0|0,0,0]=3 3978 B13R0.54 CC/C=C\CCCCCOC[N+](=O)[O-] 34a_100016268722_100000761209 [0,2,1,0,0,0|1,0,0]=4 3979 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,2,1,0,0,0|0,0,0]=3 3980 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,2,1,0,0,0|0,0,0]=3 3981 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,2,1,0,0,0|0,0,0]=3 3982 B13R0.54 CC/C=C\CCCCOCOC(=O)C 34a_100016287862_100009813279 [0,2,1,0,0,0|1,0,0]=4 3983 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,2,1,0,0,0|0,0,0]=3 3984 B13R0.54 CC/C=C\CCNCCCNC(=O)C 34a_100000736810_100015370543 [0,2,1,0,0,0|1,0,0]=4 3985 B13R0.54 CC/C=C\CCNCCOCC(=O)O 269956a_100000700818_100015370543 [0,2,1,0,0,0|1,0,0]=4 3986 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,2,1,0,0,0|0,0,0]=3 3987 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,2,1,0,0,0|0,0,0]=3 3988 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,2,1,0,0,0|0,0,0]=3 3989 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,2,1,0,0,0|0,0,0]=3 3990 B13R0.54 CC/C=C\CCOCCCC[N+](=O)[O-] 34a_200015379883_100015370543 [0,2,1,0,0,0|1,0,0]=4 3991 B13R0.54 CC/C=C\CCOCCCC[N+](=O)[O-] 7a_200015379883_100015370543 [0,2,1,0,0,0|1,0,0]=4 3992 B13R0.54 CC/C=C\CCOCCCNC(=O)C 34a_100000752032_100015370543 [0,2,1,0,0,0|1,0,0]=4 3993 B13R0.54 CC/C=C\CCOCCCOC(=O)C 34a_100016288707_100000042594 [0,2,1,0,0,0|1,0,0]=4 3994 B13R0.54 CC/C=C\CCOCCCOC(=O)C 7a_100016288707_100000042594 [0,2,1,0,0,0|1,0,0]=4 3995 B13R0.54 CC/C=C\CCOCCCSC(=O)C 34a_100016288707_100000038929 [0,2,1,0,0,0|1,0,0]=4 3996 B13R0.54 CC/C=C\CCOCCCSC(=O)C 7a_100016288707_100000038929 [0,2,1,0,0,0|1,0,0]=4 3997 B13R0.54 CC/C=C\CCOCCOCC(=O)N 34a_100016288707_100000076697 [0,2,1,0,0,0|1,0,0]=4 3998 B13R0.54 CC/C=C\CCOCCOCC(=O)N 7a_100016288707_100000076697 [0,2,1,0,0,0|1,0,0]=4 3999 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,2,1,0,0,0|0,0,0]=3 4000 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,2,1,0,0,0|0,0,0]=3 4001 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100000042594_100015370543 [0,2,1,0,0,0|1,0,0]=4 4002 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100015370543_100000042594 [0,2,1,0,0,0|1,0,0]=4 4003 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100000038929_100015370543 [0,2,1,0,0,0|1,0,0]=4 4004 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100015370543_100000038929 [0,2,1,0,0,0|1,0,0]=4 4005 B13R0.54 CC/C=C\CCSCCOCC(=O)N 62a_100000076697_100015370543 [0,2,1,0,0,0|1,0,0]=4 4006 B13R0.54 CC/C=C\CCSCCOCC(=O)N 62a_100015370543_100000076697 [0,2,1,0,0,0|1,0,0]=4 4007 B13R0.54 CC/C=C\CNCCCCNC(=O)C 2230a_200011368371_100103147603 [0,2,1,0,0,0|1,0,0]=4 4008 B13R0.54 CC/C=C\CNCCCCNC(=O)C 34a_200011368371_100103147603 [0,2,1,0,0,0|1,0,0]=4 4009 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,2,1,0,0,0|0,0,0]=3 4010 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,2,1,0,0,0|0,0,0]=3 4011 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,2,1,0,0,0|0,0,0]=3 4012 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,2,1,0,0,0|0,0,0]=3 4013 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100000073216_100103147603 [0,2,1,0,0,0|1,0,0]=4 4014 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100016268518_100000033659 [0,2,1,0,0,0|1,0,0]=4 4015 B13R0.54 CC/C=C\COCCCCOC(=O)C 7a_100000073216_100103147603 [0,2,1,0,0,0|1,0,0]=4 4016 B13R0.54 CC/C=C\COCCCCSC(=O)C 34a_100016268518_200010402107 [0,2,1,0,0,0|1,0,0]=4 4017 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,2,1,0,0,0|0,0,0]=3 4018 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,2,1,0,0,0|0,0,0]=3 4019 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100000033659_100103147603 [0,2,1,0,0,0|1,0,0]=4 4020 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100103147603_100000033659 [0,2,1,0,0,0|1,0,0]=4 4021 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_100103147603_200010402107 [0,2,1,0,0,0|1,0,0]=4 4022 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_200010402107_100103147603 [0,2,1,0,0,0|1,0,0]=4 4023 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,2,1,0,0,0|1,0,0]=4 4024 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,2,1,0,0,0|1,0,0]=4 4025 B13R0.147 C=CC(O)COCCCC/C=C\CC 34a_100016287862_100000730141 [0,2,1,0,0,0|1,0,0]=4 4026 B13R0.147 C=CC(O)COCCCC/C=C\CC 7a_100016287862_100000730141 [0,2,1,0,0,0|1,0,0]=4 4027 B13R0.147 CC/C=C/CCCOCCC(=O)NC 34a_100016287902_100012179268 [0,2,1,0,0,0|1,0,0]=4 4028 B13R0.147 CC/C=C/CCCOCCC(=O)NC 7a_100016287902_100000737683 [0,2,1,0,0,0|1,0,0]=4 4029 B13R0.147 CC/C=C/CCCOCCC(=O)OC 34a_100016287902_100000742370 [0,2,1,0,0,0|1,0,0]=4 4030 B13R0.147 CC/C=C/CCCOCCC(=O)OC 7a_100016287902_100000204255 [0,2,1,0,0,0|1,0,0]=4 4031 B13R0.147 CC/C=C\CCCCOCC(=O)CC 7a_100016287862_100000747405 [0,2,1,0,0,0|1,0,0]=4 4032 B13R0.147 CC/C=C\CCCCOCC(=O)NC 34a_100016287862_100000183359 [0,2,1,0,0,0|1,0,0]=4 4033 B13R0.147 CC/C=C\CCCCOCC(=O)NC 7a_100016287862_100000183359 [0,2,1,0,0,0|1,0,0]=4 4034 B13R0.147 CC/C=C\CCCCOCC(=O)OC 34a_100016287862_100000747449 [0,2,1,0,0,0|1,0,0]=4 4035 B13R0.147 CC/C=C\CCCCOCC(=O)OC 7a_100016287862_100000747449 [0,2,1,0,0,0|1,0,0]=4 4036 B13R0.147 CC/C=C\CCNCCCC(=O)NC 2230a_100000740002_100015370543 [0,2,1,0,0,0|1,0,0]=4 4037 B13R0.147 CC/C=C\CCNCCCC(=O)NC 34a_100000740002_100015370543 [0,2,1,0,0,0|1,0,0]=4 4038 B13R0.147 CC/C=C\CCOCCCC(=O)NC 34a_100016288707_100000741757 [0,2,1,0,0,0|1,0,0]=4 4039 B13R0.147 CC/C=C\CCOCCCC(=O)NC 7a_100016288707_100000741757 [0,2,1,0,0,0|1,0,0]=4 4040 B13R0.147 CC/C=C\CCOCCCC(=O)NN 34a_100000211488_100015370543 [0,2,1,0,0,0|1,0,0]=4 4041 B13R0.147 CC/C=C\CCOCCCC(=O)OC 34a_100016288707_100000742333 [0,2,1,0,0,0|1,0,0]=4 4042 B13R0.147 CC/C=C\CCOCCCC(=O)OC 7a_100016288707_100011218270 [0,2,1,0,0,0|1,0,0]=4 4043 B13R0.147 CC/C=C\CCSCCCC(=O)NC 62a_100000741757_100015370543 [0,2,1,0,0,0|1,0,0]=4 4044 B13R0.147 CC/C=C\CCSCCCC(=O)NC 62a_100015370543_100000741757 [0,2,1,0,0,0|1,0,0]=4 4045 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100011218270_100015370543 [0,2,1,0,0,0|1,0,0]=4 4046 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100015370543_100011218270 [0,2,1,0,0,0|1,0,0]=4 4047 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100000059025_100103147603 [0,2,1,0,0,0|1,0,0]=4 4048 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100016268518_100000204269 [0,2,1,0,0,0|1,0,0]=4 4049 B13R0.147 CC/C=C\COCCCCC(=O)OC 7a_100000059025_100103147603 [0,2,1,0,0,0|1,0,0]=4 4050 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100000204269_100103147603 [0,2,1,0,0,0|1,0,0]=4 4051 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100103147603_100000204269 [0,2,1,0,0,0|1,0,0]=4 4052 B13R0.147 CCC(=O)NCCOCCCCC=O 7a_200000158885_100000139335 [0,2,1,0,0,0|1,0,0]=4 4053 B13R0.147 CCC(=O)OCCOCCCCC=O 7a_200000031056_100000139335 [0,2,1,0,0,0|1,0,0]=4 4054 B13R0.165 C=CCCCCC(=O)CC/C=C\CC 1458a_100011215552_100015370543 [0,2,1,0,0,0|1,0,0]=4 4055 B13R0.165 C=CCCCCN(C)CC/C=C\CC 2230a_100012000471_100015370543 [0,2,1,0,0,0|1,0,0]=4 4056 B13R0.165 C=CCCCCN(C)CC/C=C\CC 269982a_100012000471_100015370543 [0,2,1,0,0,0|1,0,0]=4 4057 B13R0.336 C/C=C/COCCCCC/C=C\CC 34a_100016268722_100102629194 [0,2,1,0,0,0|1,0,0]=4 4058 B13R0.336 C/C=C/COCCCCC/C=C\CC 7a_100016268722_100102629194 [0,2,1,0,0,0|1,0,0]=4 4059 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [0,2,1,0,0,0|1,0,0]=4 4060 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [0,2,1,0,0,0|1,0,0]=4 4061 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [0,2,1,0,0,0|1,0,0]=4 4062 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [0,2,1,0,0,0|1,0,0]=4 4063 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [0,2,1,0,0,0|1,0,0]=4 4064 B13R0.336 C=CCCCCCOC/C=C/CCC 34a_100016278788_100000700193 [0,2,1,0,0,0|1,0,0]=4 4065 B13R0.336 C=CCCCCCOC/C=C/CCC 7a_100016278788_100000700193 [0,2,1,0,0,0|1,0,0]=4 4066 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [0,2,1,0,0,0|1,0,0]=4 4067 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [0,2,1,0,0,0|1,0,0]=4 4068 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [0,2,1,0,0,0|1,0,0]=4 4069 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [0,2,1,0,0,0|1,0,0]=4 4070 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [0,2,1,0,0,0|1,0,0]=4 4071 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [0,2,1,0,0,0|1,0,0]=4 4072 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [0,2,1,0,0,0|1,0,0]=4 4073 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [0,2,1,0,0,0|1,0,0]=4 4074 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [0,2,1,0,0,0|1,0,0]=4 4075 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [0,2,1,0,0,0|1,0,0]=4 4076 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [0,2,1,0,0,0|1,0,0]=4 4077 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [0,2,1,0,0,0|1,0,0]=4 4078 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [0,2,1,0,0,0|1,0,0]=4 4079 B13R0.336 C=COCCCCOCC/C=C\CC 34a_100000031558_100015370543 [0,2,1,0,0,0|1,0,0]=4 4080 B13R0.336 C=COCCCCOCC/C=C\CC 7a_100000031558_100015370543 [0,2,1,0,0,0|1,0,0]=4 4081 B13R0.336 C=COCCOCCCC/C=C\CC 34a_100016287862_100000039644 [0,2,1,0,0,0|1,0,0]=4 4082 B13R0.336 C=COCCOCCCC/C=C\CC 7a_100016287862_100000039644 [0,2,1,0,0,0|1,0,0]=4 4083 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [0,2,1,0,0,0|0,0,0]=3 4084 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [0,2,1,0,0,0|0,0,0]=3 4085 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [0,2,1,0,0,0|0,0,0]=3 4086 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [0,2,1,0,0,0|0,0,0]=3 4087 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [0,2,1,0,0,0|0,0,0]=3 4088 B13R0.336 CC=CCOCCCCC/C=C\CC 34a_100016268722_100000070051 [0,2,1,0,0,0|1,0,0]=4 4089 B13R0.336 CC=CCOCCCCC/C=C\CC 7a_100016268722_100000070051 [0,2,1,0,0,0|1,0,0]=4 4090 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [0,2,1,0,0,0|0,0,0]=3 4091 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [0,2,1,0,0,0|1,0,0]=4 4092 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [0,2,1,0,0,0|1,0,0]=4 4093 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [0,2,1,0,0,0|1,0,0]=4 4094 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [0,2,1,0,0,0|1,0,0]=4 4095 B13R0.338 C=CCCCCCC(=O)C/C=C/CC 1458a_100016274230_100000700193 [0,2,1,0,0,0|1,0,0]=4 4096 B13R0.338 C=CCCCCCC(=O)C/C=C\CC 1458a_100011934241_100103147603 [0,2,1,0,0,0|1,0,0]=4 4097 B13R0.1 CC/C=C\CCN(C)CCCC(=O)O 269956a_100000719178_100015370543 [0,2,1,0,0,0|1,0,0]=4 4098 B13R0.1 CC/C=C\COC(C)CCCC(=O)[O-] 7a_100000761597_100103147603 [0,2,1,0,0,0|1,0,0]=4 4099 B13R0.188 CC/C=C/CC(=O)CCCCC(=O)C 1458a_100016274230_100000735457 [0,2,1,0,0,0|0,0,1]=4 4100 B13R0.119 CCC=CC(=O)CCCCCC(=O)N 1458a_100000212282_100009817443 [0,2,1,0,0,0|0,0,1]=4 4101 B13R0.150 CC/C=C\CCCCOC(C)C(=O)C 7a_100016287862_100000179758 [0,2,1,0,0,0|1,0,0]=4 4102 B13R0.150 CC/C=C\CCCCOC(C)C(=O)N 34a_100016287862_100000702099 [0,2,1,0,0,0|1,0,0]=4 4103 B13R0.150 CC/C=C\CCCCOC(C)C(=O)N 7a_100016287862_100000702099 [0,2,1,0,0,0|1,0,0]=4 4104 B13R0.150 CC/C=C\CCCCOC(F)C(=O)N 34a_100016287862_100009813875 [0,2,1,0,0,0|1,0,0]=4 4105 B13R0.150 CC/C=C\CCCCOC(F)C(=O)N 7a_100016287862_100009813875 [0,2,1,0,0,0|1,0,0]=4 4106 B13R0.150 CC/C=C\CCCCOC(F)C(=O)[O-] 34a_100016287862_100020610796 [0,2,1,0,0,0|1,0,0]=4 4107 B13R0.412 CC/C=C\CCCCOC(C=O)C=O 34a_100016287862_100000736813 [0,2,1,0,0,0|1,0,0]=4 4108 B13R0.332 CCNC(=O)CCCC(=O)CC(C)C 1458a_100000199580_100000210624 [0,2,1,0,0,0|1,0,0]=4 4109 B13R0.332 CCNC(=O)CCCC(=O)CC(C)O 1458a_100000199580_100011218427 [0,2,1,0,0,0|1,0,0]=4 4110 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215271 [0,2,1,0,0,0|1,0,0]=4 4111 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210991_100000210624 [0,2,1,0,0,0|1,0,0]=4 4112 B13R0.332 CCOC(=O)CCCC(=O)CC(C)O 1458a_100000210991_100011218427 [0,2,1,0,0,0|1,0,0]=4 4113 B13R0.332 CCOC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215271 [0,2,1,0,0,0|1,0,0]=4 4114 B13R0.369 CCNC(=O)CCCC(=O)C(C)CC 1458a_100000199580_100000758301 [0,2,1,0,0,0|1,0,0]=4 4115 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100000210991_100000758301 [0,2,1,0,0,0|1,0,0]=4 4116 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100011192722_100011215271 [0,2,1,0,0,0|1,0,0]=4 4117 B13R0.369 CCOC(=O)CCCC(=O)C(O)CC 1458a_100011196387_100011215271 [0,2,1,0,0,0|1,0,0]=4 4118 B13R0.18 CCCC(=O)C(C)CCC(=O)OCC 1458a_100000211992_100000748298 [0,2,1,0,0,0|1,0,0]=4 4119 B13R0.331 CCCC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000747444 [0,2,1,0,0,0|0,0,1]=4 4120 B13R0.184 CC/C=C/CC(=O)C(CC)C(=O)OC 1458a_100016274230_100000235869 [0,2,1,0,0,0|0,0,1]=4 4121 B13R0.184 CC/C=C\CN(C)C(CC)C(=O)OC 2230a_100000709176_100103147603 [0,2,1,0,0,0|1,0,0]=4 4122 B13R0.184 CC/C=C\CN(C)C(CC)C(=O)OC 269982a_100000709176_100103147603 [0,2,1,0,0,0|1,0,0]=4 4123 B13R0.420 CC/C=C\CCN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100015370543 [0,2,1,0,0,0|1,0,0]=4 4124 B13R0.420 CC/C=C\CCN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100015370543 [0,2,1,0,0,0|1,0,0]=4 4125 B13R0.273 CC/C=C\CCNC(C(=O)O)C(C)O 269956a_100000185852_100015370543 [0,2,1,0,0,0|1,0,0]=4 4126 B13R0.273 CC/C=C\CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100015370543 [0,2,1,0,0,0|1,0,0]=4 4127 B13R0.273 CC/C=C\CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100015370543 [0,2,1,0,0,0|1,0,0]=4 4128 B13R0.273 CC/C=C\CCOC(C(=O)N)C(C)C 34a_100016288707_100000230017 [0,2,1,0,0,0|1,0,0]=4 4129 B13R0.273 CC/C=C\CCOC(C(=O)N)C(C)C 7a_100016288707_100000230017 [0,2,1,0,0,0|1,0,0]=4 4130 B13R0.273 CC/C=C\CCSC(C(=O)C)C(=O)C 62a_100000210371_100015370543 [0,2,1,0,0,0|0,0,1]=4 4131 B13R0.273 CC/C=C\CCSC(C(=O)C)C(=O)C 62a_100015370543_100000210371 [0,2,1,0,0,0|0,0,1]=4 4132 B13R0.273 CC/C=C\CCSC(C(=O)N)C(C)C 62a_100000230017_100015370543 [0,2,1,0,0,0|1,0,0]=4 4133 B13R0.273 CC/C=C\CCSC(C(=O)N)C(C)C 62a_100015370543_100000230017 [0,2,1,0,0,0|1,0,0]=4 4134 B13R0.288 CC/C=C\CNC(C(=O)NC)C(C)C 2230a_100000690981_100103147603 [0,2,1,0,0,0|1,0,0]=4 4135 B13R0.288 CC/C=C\CNC(C(=O)NC)C(C)C 34a_100000690981_100103147603 [0,2,1,0,0,0|1,0,0]=4 4136 B13R0.288 CC/C=C\CN[C@H](C(=O)NC)[C@@H](C)O 2230a_100102634413_100103147603 [0,2,1,0,0,0|1,0,0]=4 4137 B13R0.288 CC/C=C\CN[C@H](C(=O)NC)[C@@H](C)O 34a_100102634413_100103147603 [0,2,1,0,0,0|1,0,0]=4 4138 B13R0.288 CC/C=C\COC(C(=O)OC)C(C)C 34a_100016268518_100000736125 [0,2,1,0,0,0|1,0,0]=4 4139 B13R0.288 CC/C=C\CO[C@@H](C(=O)OC)C(C)C 34a_100009883636_100103147603 [0,2,1,0,0,0|1,0,0]=4 4140 B13R0.288 CC/C=C\CO[C@@H](C(=O)OC)C(C)C 7a_100009883636_100103147603 [0,2,1,0,0,0|1,0,0]=4 4141 B13R0.288 CC/C=C\CSC(C(=O)OC)C(C)C 62a_100000736125_100103147603 [0,2,1,0,0,0|1,0,0]=4 4142 B13R0.288 CC/C=C\CSC(C(=O)OC)C(C)C 62a_100103147603_100000736125 [0,2,1,0,0,0|1,0,0]=4 4143 B13R0.145 CC/C=C\CNC(CCC)C(=O)NC 2230a_106256046333_100103147603 [0,2,1,0,0,0|1,0,0]=4 4144 B13R0.145 CC/C=C\CNC(CCC)C(=O)NC 34a_106256046333_100103147603 [0,2,1,0,0,0|1,0,0]=4 4145 B13R0.145 CC/C=C\COC(CCC)C(=O)OC 34a_100016268518_200009843822 [0,2,1,0,0,0|1,0,0]=4 4146 B13R0.145 CC/C=C\COC(COC)C(=O)OC 34a_100016268518_100000717350 [0,2,1,0,0,0|1,0,0]=4 4147 B13R0.145 CC/C=C\CSC(CCC)C(=O)OC 62a_100103147603_200009843822 [0,2,1,0,0,0|1,0,0]=4 4148 B13R0.145 CC/C=C\CSC(CCC)C(=O)OC 62a_200009843822_100103147603 [0,2,1,0,0,0|1,0,0]=4 4149 B13R0.145 CC/C=C\CSC(COC)C(=O)OC 62a_100000717350_100103147603 [0,2,1,0,0,0|1,0,0]=4 4150 B13R0.145 CC/C=C\CSC(COC)C(=O)OC 62a_100103147603_100000717350 [0,2,1,0,0,0|1,0,0]=4 4151 B13R0.283 CC/C=C\CN[C@H](CC)C(=O)N(C)C 2230a_100102699731_100103147603 [0,2,1,0,0,0|1,0,0]=4 4152 B13R0.283 CC/C=C\CN[C@H](CC)C(=O)N(C)C 34a_100102699731_100103147603 [0,2,1,0,0,0|1,0,0]=4 4153 B13R0.283 CC/C=C\COC(CC)C(=O)N(C)C 34a_100016268518_100011763435 [0,2,1,0,0,0|1,0,0]=4 4154 B13R0.283 CC/C=C\CSC(CC)C(=O)N(C)C 62a_100011763435_100103147603 [0,2,1,0,0,0|1,0,0]=4 4155 B13R0.283 CC/C=C\CSC(CC)C(=O)N(C)C 62a_100103147603_100011763435 [0,2,1,0,0,0|1,0,0]=4 4156 B13R0.61 CC/C=C/CCCOC(CC)C(=O)N 34a_100016287902_100000750255 [0,2,1,0,0,0|1,0,0]=4 4157 B13R0.61 CC/C=C/CCCOC(CC)C(=O)N 7a_100016287902_100000750255 [0,2,1,0,0,0|1,0,0]=4 4158 B13R0.977 CC/C=C\CCNC(C)(CC)C(=O)O 269956a_100025756313_100015370543 [0,2,1,0,0,0|1,0,0]=4 4159 B13R0.190 CC/C=C/CC(=O)C(C)C(=O)C(C)C 1458a_100016274230_100009893295 [0,2,1,0,0,0|0,0,1]=4 4160 B13R0.368 CCOC(=O)CCC(C)C(=O)C(C)C 1458a_100000210198_100000748298 [0,2,1,0,0,0|1,0,0]=4 4161 B13R0.368 CCOC(=O)CCC(C)C(=O)C(C)F 1458a_100000062450_100000748298 [0,2,1,0,0,0|1,0,0]=4 4162 B13R0.368 CCOC(=O)CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000748298 [0,2,1,0,0,0|1,0,0]=4 4163 B13R0.368 CCOC(=O)CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000748298 [0,2,1,0,0,0|1,0,0]=4 4164 B13R0.1163 CC/C=C\CSC(C)C(=O)C(C)(C)C 62a_100009893019_100103147603 [0,2,1,0,0,0|1,0,0]=4 4165 B13R0.1163 CC/C=C\CSC(C)C(=O)C(C)(C)C 62a_100103147603_100009893019 [0,2,1,0,0,0|1,0,0]=4 4166 B13R0.255 CCC(=O)C(C)C(=O)C/C=C/C(C)C 1458a_100016292215_100000742827 [0,2,1,0,0,0|0,0,1]=4 4167 B13R1.27 CC/C=C\CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100015370543 [1,2,0,0,0,0|0,0,1]=4 4168 B13R1.27 CC/C=C\CCOC1CCC(C1)C 34a_100000698185_100015370543 [1,2,0,0,0,0|0,0,1]=4 4169 B13R1.27 CC/C=C\COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100103147603 [1,2,0,0,0,0|0,0,1]=4 4170 B13R1.27 CC/C=C\COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100103147603 [1,2,0,0,0,0|1,0,0]=4 4171 B13R1.48 CC/C=C\CCC(=O)C1=CCCC1 1458a_100000038896_100015370543 [1,2,0,0,0,0|0,0,1]=4 4172 B13R1.48 CC/C=C\CCC(=O)C1CCCC1 1458a_100000210718_100015370543 [1,2,0,0,0,0|0,0,1]=4 4173 B13R1.48 CC/C=C\CCC(=O)C1CCCS1 1458a_100012002731_100015370543 [1,2,0,0,0,0|1,0,0]=4 4174 B13R1.48 CC/C=C\CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100015370543 [1,2,0,0,0,0|1,0,0]=4 4175 B13R1.48 CC/C=C\CCN(C)C1CCCC1 2230a_100000207505_100015370543 [1,2,0,0,0,0|0,0,1]=4 4176 B13R1.48 CC/C=C\CCN(C)C1CCCC1 269982a_100000207505_100015370543 [1,2,0,0,0,0|0,0,1]=4 4177 B13R1.48 CC/C=C\CCN(C)C1CCCC1 34a_100000207505_100015370543 [1,2,0,0,0,0|0,0,1]=4 4178 B13R1.48 CC/C=C\CNC(C)C1CCCC1 2230a_100015185923_100103147603 [1,2,0,0,0,0|0,0,1]=4 4179 B13R1.48 CC/C=C\CNC(C)C1CCCC1 34a_100015185923_100103147603 [1,2,0,0,0,0|0,0,1]=4 4180 B13R1.48 CC/C=C\CNC(C)C1CCCO1 2230a_100025754208_100103147603 [1,2,0,0,0,0|1,0,0]=4 4181 B13R1.48 CC/C=C\CNC(C)C1CCCO1 34a_100025754208_100103147603 [1,2,0,0,0,0|1,0,0]=4 4182 B13R1.48 CC/C=C\COC(C)C1CCCC1 34a_100011216366_100103147603 [1,2,0,0,0,0|0,0,1]=4 4183 B13R1.48 CC/C=C\COC(C)C1CCCC1 7a_100011216366_100103147603 [1,2,0,0,0,0|0,0,1]=4 4184 B13R1.119 CC/C=C/CCCOC1CCCC1 34a_100016287902_100000179811 [1,2,0,0,0,0|0,0,1]=4 4185 B13R1.119 CC/C=C/CCCOC1CCCC1 7a_100016287902_100000179811 [1,2,0,0,0,0|0,0,1]=4 4186 B13R1.119 CC/C=C\CCNCC1CCCC1 2230a_100000737975_100015370543 [1,2,0,0,0,0|0,0,1]=4 4187 B13R1.119 CC/C=C\CCNCC1CCCC1 34a_100000737975_100015370543 [1,2,0,0,0,0|0,0,1]=4 4188 B13R1.119 CC/C=C\CCNC[C@@H]1CCCO1 2230a_100020590478_100015370543 [1,2,0,0,0,0|1,0,0]=4 4189 B13R1.119 CC/C=C\CCNC[C@@H]1CCCO1 34a_100020590478_100015370543 [1,2,0,0,0,0|1,0,0]=4 4190 B13R1.119 CC/C=C\CCOCC1CCCC1 34a_100000742336_100015370543 [1,2,0,0,0,0|0,0,1]=4 4191 B13R1.119 CC/C=C\CCOCC1CCCC1 34a_100016288707_100000740388 [1,2,0,0,0,0|0,0,1]=4 4192 B13R1.119 CC/C=C\CCOCC1CCCC1 7a_100000742336_100015370543 [1,2,0,0,0,0|0,0,1]=4 4193 B13R1.119 CC/C=C\CCOCC1CCCC1 7a_100016288707_100000740388 [1,2,0,0,0,0|0,0,1]=4 4194 B13R1.119 CC/C=C\CCOCC1CCCO1 34a_100000210270_100015370543 [1,2,0,0,0,0|1,0,0]=4 4195 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100000210270_100015370543 [1,2,0,0,0,0|1,0,0]=4 4196 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100016288707_100000203698 [1,2,0,0,0,0|1,0,0]=4 4197 B13R1.119 CC/C=C\CCOC[C@H]1CCCN1 34a_100000745186_100015370543 [1,2,0,0,0,0|1,0,0]=4 4198 B13R1.119 CC/C=C\CCSCC1CCCC1 62a_100000740388_100015370543 [1,2,0,0,0,0|0,0,1]=4 4199 B13R1.119 CC/C=C\CCSCC1CCCC1 62a_100015370543_100000740388 [1,2,0,0,0,0|0,0,1]=4 4200 B13R1.119 CC/C=C\CCSCC1CCCO1 62a_100000203698_100015370543 [1,2,0,0,0,0|1,0,0]=4 4201 B13R1.119 CC/C=C\CCSCC1CCCO1 62a_100015370543_100000203698 [1,2,0,0,0,0|1,0,0]=4 4202 B13R1.119 CC/C=C\CNCCC1CCCC1 2230a_100000739158_100103147603 [1,2,0,0,0,0|0,0,1]=4 4203 B13R1.119 CC/C=C\CNCCC1CCCC1 34a_100000739158_100103147603 [1,2,0,0,0,0|0,0,1]=4 4204 B13R1.119 CC/C=C\COCCC1CCCC1 34a_100000749090_100103147603 [1,2,0,0,0,0|0,0,1]=4 4205 B13R1.119 CC/C=C\COCCC1CCCC1 34a_100016268518_100000760354 [1,2,0,0,0,0|0,0,1]=4 4206 B13R1.119 CC/C=C\COCCC1CCCC1 7a_100000749090_100103147603 [1,2,0,0,0,0|0,0,1]=4 4207 B13R1.119 CC/C=C\CSCCC1CCCC1 62a_100000760354_100103147603 [1,2,0,0,0,0|0,0,1]=4 4208 B13R1.119 CC/C=C\CSCCC1CCCC1 62a_100103147603_100000760354 [1,2,0,0,0,0|0,0,1]=4 4209 B13R1.119 CCC/C=C/COCC1CCCC1 34a_100016278788_100000740388 [1,2,0,0,0,0|0,0,1]=4 4210 B13R1.119 CCC/C=C/COCC1CCCC1 7a_100016278788_100000740388 [1,2,0,0,0,0|0,0,1]=4 4211 B13R1.119 CCC/C=C/COCC1CCCO1 7a_100016278788_100000203698 [1,2,0,0,0,0|1,0,0]=4 4212 B13R1.153 CCC=CC(=O)CCC1CCCC1 1458a_100000212282_100000760354 [1,2,0,0,0,0|0,0,1]=4 4213 B13R1.156 CC/C=C/CC(=O)CC1CCCC1 1458a_100016274230_100000740388 [1,2,0,0,0,0|0,0,1]=4 4214 B13R1.156 CC/C=C/CC(=O)CC1CCCO1 1458a_100016274230_100000203698 [1,2,0,0,0,0|1,0,0]=4 4215 B13R1.156 CC/C=C\CC(=O)CC1=CCCC1 1458a_100000050221_100103147603 [1,2,0,0,0,0|0,0,1]=4 4216 B13R1.156 CC/C=C\CC(=O)CC1C=CCC1 1458a_100000212241_100103147603 [1,2,0,0,0,0|0,0,1]=4 4217 B13R1.156 CC/C=C\CC(=O)CC1CCCC1 1458a_100000210891_100103147603 [1,2,0,0,0,0|0,0,1]=4 4218 B13R1.156 CC/C=C\CN(C)CC1CCCO1 2230a_100102946541_100103147603 [1,2,0,0,0,0|1,0,0]=4 4219 B13R1.156 CC/C=C\CN(C)CC1CCCO1 269982a_100102946541_100103147603 [1,2,0,0,0,0|1,0,0]=4 4220 B13R1.156 CC/C=C\CN(C)CC1CCCO1 34a_100102946541_100103147603 [1,2,0,0,0,0|1,0,0]=4 4221 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 34a_100000751722_100015370543 [1,2,0,0,0,0|0,0,1]=4 4222 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 7a_100000751722_100015370543 [1,2,0,0,0,0|0,0,1]=4 4223 B13R1.2436 CC/C=C\CNCC1(CCCC1)O 2230a_100000737848_100103147603 [1,2,0,0,0,0|0,0,1]=4 4224 B13R1.2436 CC/C=C\COCC1(CCCC1)N 34a_100000749328_100103147603 [1,2,0,0,0,0|0,0,1]=4 4225 B13R1.2436 CC/C=C\COC[C@@]1(CCCN1)C 34a_100016195882_100103147603 [1,2,0,0,0,0|1,0,0]=4 4226 B13R1.168 CC(=CCC(=O)C1CCCC1=O)C 1458a_100011220947_100000211823 [1,2,0,0,0,0|0,0,1]=4 4227 B13R1.168 CC(C)C=CC(=O)C1CCCC1=O 1458a_100016268746_100000211823 [1,2,0,0,0,0|0,0,1]=4 4228 B13R1.169 C=C(C)C(=O)CCN1CCCC1=O 1458a_100000185857_100000742232 [1,2,0,0,0,0|1,0,0]=4 4229 B13R1.169 CC(=O)C(=O)COC1CCCC1=O 34a_200000719330_100011261029 [1,2,0,0,0,0|1,0,0]=4 4230 B13R1.169 CC(=O)C(=O)CSC1CCCC1=O 62a_100000211823_100011261029 [1,2,0,0,0,0|1,0,0]=4 4231 B13R1.169 CC(=O)C(=O)CSC1CCCC1=O 62a_100011261029_100000211823 [1,2,0,0,0,0|1,0,0]=4 4232 B13R1.169 CC(C)C(=O)CCC1CCOC1=O 1458a_100000117037_100000210206 [1,2,0,0,0,0|1,0,0]=4 4233 B13R1.169 CC(C)C(=O)CCN1CCCC1=O 1458a_100000210198_100000742232 [1,2,0,0,0,0|1,0,0]=4 4234 B13R1.169 CC(C)C(=O)CCN1CCCC1=O 1458a_100000751031_100000210206 [1,2,0,0,0,0|1,0,0]=4 4235 B13R1.169 CC(C)C(=O)COC1CCCC1=O 34a_200000719330_100000753385 [1,2,0,0,0,0|1,0,0]=4 4236 B13R1.169 CC(C)C(=O)CSC1CCCC1=O 62a_100000211823_100000753385 [1,2,0,0,0,0|1,0,0]=4 4237 B13R1.169 CC(C)C(=O)CSC1CCCC1=O 62a_100000753385_100000211823 [1,2,0,0,0,0|1,0,0]=4 4238 B13R1.169 CC(F)C(=O)CCN1CCCC1=O 1458a_100000062450_100000742232 [1,2,0,0,0,0|1,0,0]=4 4239 B13R1.169 C[C@@H](O)C(=O)CCN1CCCC1=O 1458a_100000717761_100000742232 [1,2,0,0,0,0|1,0,0]=4 4240 B13R1.169 C[C@H](O)C(=O)CCN1CCCC1=O 1458a_217856618621_100000742232 [1,2,0,0,0,0|1,0,0]=4 4241 B13R1.282 CC(=CC(C)OC1CCCC1=O)C 34a_100000717055_100000709159 [1,2,0,0,0,0|1,0,0]=4 4242 B13R1.704 CCC(=O)C(C)SC1CCCC1=O 62a_100000211823_100000742827 [1,2,0,0,0,0|1,0,0]=4 4243 B13R1.704 CCC(=O)C(C)SC1CCCC1=O 62a_100000742827_100000211823 [1,2,0,0,0,0|1,0,0]=4 4244 B13R1.2909 CC/C=C(\C)/C(=O)C1CCCC1=O 1458a_100016988807_100000211823 [1,2,0,0,0,0|0,0,1]=4 4245 B13R1.439 CCC(=CC(=O)C1CCCC1=O)C 1458a_100020758463_100000211823 [1,2,0,0,0,0|0,0,1]=4 4246 B13R1.296 CC(=CC(=O)CCC1CCC1=O)C 1458a_100000211388_200016118888 [0,2,0,0,1,0|0,0,1]=4 4247 B13R1.296 CC(=CC(=O)CCC1CCC1=O)Cl 1458a_200042562850_200016118888 [0,2,0,0,1,0|0,0,1]=4 4248 B13R1.296 CC(=CC(=O)CCC1CCC1=O)I 1458a_100025716642_200016118888 [0,2,0,0,1,0|0,0,1]=4 4249 B13R1.296 CC(C)CC(=O)CCC1CCC1=O 1458a_100000210554_200016118888 [0,2,0,0,1,0|0,0,1]=4 4250 B13R1.296 C[C@@H](O)CC(=O)CCC1CCC1=O 1458a_100011933948_200016118888 [0,2,0,0,1,0|0,0,1]=4 4251 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_100000747405_200016118888 [0,2,0,0,1,0|0,0,1]=4 4252 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_200016118888_100000747405 [0,2,0,0,1,0|0,0,1]=4 4253 B13R1.595 CCC(=O)NCCNC1CCC1=O 34a_100132302217_100009892977 [0,2,0,0,1,0|1,0,0]=4 4254 B13R1.595 CCC(=O)NCCOC1CCC1=O 34a_200000158885_100009892977 [0,2,0,0,1,0|1,0,0]=4 4255 B13R1.595 CCC(=O)NCCOC1CCC1=O 7a_200000158885_100009892977 [0,2,0,0,1,0|1,0,0]=4 4256 B13R1.595 CCC(=O)OCCOC1CCC1=O 7a_200000031056_100009892977 [0,2,0,0,1,0|1,0,0]=4 4257 B13R1.3699 CC(C)/C=C/CC(=O)C1CCC1=O 1458a_100016292215_100009892977 [0,2,0,0,1,0|0,0,1]=4 4258 B13R1.677 CC=CCC(=O)CCC1CCC1=O 1458a_100121576822_200016118888 [0,2,0,0,1,0|0,0,1]=4 4259 B13R1.677 CCC#CC(=O)CCC1CCC1=O 1458a_100011827653_200016118888 [0,2,0,0,1,0|0,0,1]=4 4260 B13R1.677 CCC=CC(=O)CCC1CCC1=O 1458a_100000212282_200016118888 [0,2,0,0,1,0|0,0,0]=3 4261 B13R1.677 CCCCC(=O)CCC1CCC1=O 1458a_100000210183_200016118888 [0,2,0,0,1,0|0,0,1]=4 4262 B13R1.677 CCOCC(=O)CCC1CCC1=O 1458a_100000211967_200016118888 [0,2,0,0,1,0|0,0,1]=4 4263 B13R1.677 CCSCC(=O)CCC1CCC1=O 1458a_100000230394_200016118888 [0,2,0,0,1,0|0,0,1]=4 4264 B13R1.677 COC=CC(=O)CCC1CCC1=O 1458a_100016268678_200016118888 [0,2,0,0,1,0|0,0,1]=4 4265 B13R1.677 COCCC(=O)CCC1CCC1=O 1458a_100000749529_200016118888 [0,2,0,0,1,0|0,0,1]=4 4266 B13R1.677 CSCCC(=O)CCC1CCC1=O 1458a_100000174002_200016118888 [0,2,0,0,1,0|0,0,1]=4 4267 B13R1.698 C/C=C(\C)/C(=O)CCC1CCC1=O 1458a_100020587367_200016118888 [0,2,0,0,1,0|0,0,1]=4 4268 B13R1.698 CCC(C)C(=O)CCC1CCC1=O 1458a_100011192722_200016118888 [0,2,0,0,1,0|0,0,1]=4 4269 B13R1.698 CCC(O)C(=O)CCC1CCC1=O 1458a_100011196387_200016118888 [0,2,0,0,1,0|0,0,1]=4 4270 B13R1.698 CNC(=O)C(=O)CCC1CCC1=O 1458a_100011218921_200016118888 [0,2,0,0,1,0|1,0,0]=4 4271 B13R1.461 CCNC(=O)CCNC1CCC1=O 34a_100025743525_100009892977 [0,2,0,0,1,0|1,0,0]=4 4272 B13R1.461 CCNC(=O)CCSC1CCC1=O 62a_100000737597_100009892977 [0,2,0,0,1,0|1,0,0]=4 4273 B13R1.461 CCNC(=O)CCSC1CCC1=O 62a_100009892977_100000737597 [0,2,0,0,1,0|1,0,0]=4 4274 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100000765890_100009892977 [0,2,0,0,1,0|1,0,0]=4 4275 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100009892977_100000765890 [0,2,0,0,1,0|1,0,0]=4 4276 B13R1.667 CC/C=C/CCCOC1CCC1=O 34a_100016287902_100009892977 [0,2,0,0,1,0|0,0,0]=3 4277 B13R1.667 CC/C=C/CCCOC1CCC1=O 7a_100016287902_100009892977 [0,2,0,0,1,0|0,0,0]=3 4278 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_100103147603_200016118888 [0,2,0,0,1,0|0,0,0]=3 4279 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_200016118888_100103147603 [0,2,0,0,1,0|0,0,0]=3 4280 B13R1.667 CCCC/C=C/COC1CCC1=O 34a_200016272032_100009892977 [0,2,0,0,1,0|1,0,0]=4 4281 B13R1.667 CCCC/C=C/COC1CCC1=O 7a_200016272032_100009892977 [0,2,0,0,1,0|1,0,0]=4 4282 B13R1.2918 CCC/C=C/CC(=O)C1CCC1=O 1458a_200016266809_100009892977 [0,2,0,0,1,0|0,0,1]=4 4283 B15R1.6369 CC/C=C\CCN1CCCN(C(=O)C1)C 2230a_100000709885_100015370543 [0,1,0,0,0,2|1,0,0]=4 4284 B15R1.6369 CC/C=C\CCN1CCCN(C(=O)C1)C 269982a_100000709885_100015370543 [0,1,0,0,0,2|1,0,0]=4 4285 B15R1.6369 CC/C=C\CCN1CCCN(C(=O)C1)C 34a_100000709885_100015370543 [0,1,0,0,0,2|1,0,0]=4 4286 B15R1.52 CC/C=C\CCNC1CCCCNC1=O 2230a_100000698827_100015370543 [0,1,0,0,0,2|0,0,0]=3 4287 B15R1.52 CC/C=C\CCNC1CCCCNC1=O 34a_100000698827_100015370543 [0,1,0,0,0,2|0,0,0]=3 4288 B15R1.52 CC/C=C\CCOC1CCCCCC1=O 7a_100016288707_100000243696 [0,1,0,0,0,2|0,0,0]=3 4289 B15R1.52 CC/C=C\CCOC1CCCCNC1=O 7a_100016288707_100000735217 [0,1,0,0,0,2|0,0,0]=3 4290 B15R1.52 CC/C=C\CCSC1CCCCCC1=O 62a_100000243696_100015370543 [0,1,0,0,0,2|0,0,0]=3 4291 B15R1.52 CC/C=C\CCSC1CCCCCC1=O 62a_100015370543_100000243696 [0,1,0,0,0,2|0,0,0]=3 4292 B15R1.52 CC/C=C\CCSC1CCCCNC1=O 62a_100000735217_100015370543 [0,1,0,0,0,2|0,0,0]=3 4293 B15R1.52 CC/C=C\CCSC1CCCCNC1=O 62a_100015370543_100000735217 [0,1,0,0,0,2|0,0,0]=3 4294 B15R1.52 CCC/C=C/COC1CCCCCC1=O 7a_100016278788_100000243696 [0,1,0,0,0,2|1,0,0]=4 4295 B15R1.52 CCC/C=C/COC1CCCCNC1=O 7a_100016278788_100000735217 [0,1,0,0,0,2|1,0,0]=4 4296 B15R1.1401 CC/C=C/CC(=O)C1CCCCCC1=O 1458a_100016274230_100000243696 [0,1,0,0,0,2|0,0,1]=4 4297 B15R1.1401 CC/C=C/CC(=O)C1CCCCNC1=O 1458a_100016274230_100000735217 [0,1,0,0,0,2|0,0,1]=4 4298 B15R1.22 CC/C=C\CNCC1CCCC(=O)N1C 2230a_200010383782_100103147603 [0,2,0,0,0,1|0,0,0]=3 4299 B15R1.22 CC/C=C\CNCC1CCCC(=O)N1C 34a_200010383782_100103147603 [0,2,0,0,0,1|0,0,0]=3 4300 B15R1.31 CC/C=C\CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100015370543 [0,2,0,0,0,1|1,0,0]=4 4301 B15R1.31 CC/C=C\CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100015370543 [0,2,0,0,0,1|1,0,0]=4 4302 B15R1.31 CC/C=C\CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100015370543 [0,2,0,0,0,1|0,0,0]=3 4303 B15R1.106 CC/C=C\CCOCC1CCCC(=O)N1 34a_200000102386_100015370543 [0,2,0,0,0,1|0,0,0]=3 4304 B15R1.106 CC/C=C\CCOCC1CCNC(=O)C1 34a_100009886756_100015370543 [0,2,0,0,0,1|1,0,0]=4 4305 B15R1.106 CC/C=C\CCOCC1COCC(=O)N1 34a_200000101122_100015370543 [0,2,0,0,0,1|1,0,0]=4 4306 B15R1.633 CCNC(=O)COCC1CCCC(=O)N1 34a_200000102386_100000183381 [0,2,0,0,0,1|1,0,0]=4 4307 B15R1.633 CCOC(=O)CCOC1CCCC(=O)C1 34a_100012613340_100000765890 [0,2,0,0,0,1|1,0,0]=4 4308 B15R1.633 CCOC(=O)COCC1CCCC(=O)N1 34a_200000102386_100000188475 [0,2,0,0,0,1|1,0,0]=4 4309 B15R1.12032 CC/C=C\CCNC1CCN(C(=O)C1)C 2230a_100000126938_100015370543 [0,2,0,0,0,1|1,0,0]=4 4310 B15R1.12032 CC/C=C\CCNC1CCN(C(=O)C1)C 34a_100000126938_100015370543 [0,2,0,0,0,1|1,0,0]=4 4311 B15R1.1091 CCC(=O)NCCNC1CCCCC1=O 34a_100132302217_100000754470 [0,2,0,0,0,1|1,0,0]=4 4312 B15R1.1091 CCC(=O)NCCNC1CCCNC1=O 34a_100132302217_100000687798 [0,2,0,0,0,1|1,0,0]=4 4313 B15R1.1091 CCC(=O)NCCNC1COCCC1=O 34a_100132302217_100012180262 [0,2,0,0,0,1|1,0,0]=4 4314 B15R1.1091 CCC(=O)NCCOC1CCCCC1=O 34a_200000158885_100000754470 [0,2,0,0,0,1|1,0,0]=4 4315 B15R1.1091 CCC(=O)NCCOC1CCCCC1=O 7a_200000158885_100000204591 [0,2,0,0,0,1|1,0,0]=4 4316 B15R1.1091 CCC(=O)NCCOC1CCCNC1=O 34a_200000158885_100000687798 [0,2,0,0,0,1|1,0,0]=4 4317 B15R1.1091 CCC(=O)NCCOC1CCCNC1=O 7a_200000158885_100000687798 [0,2,0,0,0,1|1,0,0]=4 4318 B15R1.1091 CCC(=O)NCCOC1COCCC1=O 34a_200000158885_100012180262 [0,2,0,0,0,1|1,0,0]=4 4319 B15R1.1091 CCC(=O)NCCOC1COCCC1=O 7a_200000158885_100012180262 [0,2,0,0,0,1|1,0,0]=4 4320 B15R1.1091 CCC(=O)OCCOC1CCCCC1=O 7a_200000031056_100000204591 [0,2,0,0,0,1|1,0,0]=4 4321 B15R1.1091 CCC(=O)OCCOC1CCCNC1=O 7a_200000031056_100000687798 [0,2,0,0,0,1|1,0,0]=4 4322 B15R1.1091 CCC(=O)OCCOC1COCCC1=O 7a_200000031056_100012180262 [0,2,0,0,0,1|1,0,0]=4 4323 B15R1.8019 CC(C)/C=C/CC(=O)C1CCCCC1=O 1458a_100016292215_100000204591 [0,2,0,0,0,1|0,0,1]=4 4324 B15R1.8019 CC(C)/C=C/CC(=O)C1CCCNC1=O 1458a_100016292215_100000687798 [0,2,0,0,0,1|0,0,1]=4 4325 B15R1.8019 CC(C)/C=C/CC(=O)C1COCCC1=O 1458a_100016292215_100012180262 [0,2,0,0,0,1|0,0,1]=4 4326 B15R1.1176 CC/C=C\CCNC1CCC(=O)NC1=O 2230a_100000691121_100015370543 [0,2,0,0,0,1|0,0,1]=4 4327 B15R1.1176 CC/C=C\CCNC1CCC(=O)NC1=O 34a_100000691121_100015370543 [0,2,0,0,0,1|0,0,1]=4 4328 B15R1.1176 CC/C=C\CCOC1CCC(=O)NC1=O 7a_100016288707_100000694648 [0,2,0,0,0,1|0,0,1]=4 4329 B15R1.1176 CC/C=C\CCSC1CCC(=O)NC1=O 62a_100000694648_100015370543 [0,2,0,0,0,1|0,0,1]=4 4330 B15R1.1176 CC/C=C\CCSC1CCC(=O)NC1=O 62a_100015370543_100000694648 [0,2,0,0,0,1|0,0,1]=4 4331 B15R1.1252 CCCC(=O)COCC1CCCCC1=O 7a_100009861125_100000747444 [0,2,0,0,0,1|0,0,1]=4 4332 B15R1.1252 CCNC(=O)CCNC1CCCCC1=O 34a_100025743525_100000754470 [0,2,0,0,0,1|1,0,0]=4 4333 B15R1.1252 CCNC(=O)CCNC1CCCNC1=O 2230a_100000747585_100000737597 [0,2,0,0,0,1|1,0,0]=4 4334 B15R1.1252 CCNC(=O)CCNC1CCCNC1=O 34a_100025743525_100000687798 [0,2,0,0,0,1|1,0,0]=4 4335 B15R1.1252 CCNC(=O)CCNC1COCCC1=O 34a_100025743525_100012180262 [0,2,0,0,0,1|1,0,0]=4 4336 B15R1.1252 CCNC(=O)CCSC1CCCCC1=O 62a_100000204591_100000737597 [0,2,0,0,0,1|1,0,0]=4 4337 B15R1.1252 CCNC(=O)CCSC1CCCCC1=O 62a_100000737597_100000204591 [0,2,0,0,0,1|1,0,0]=4 4338 B15R1.1252 CCNC(=O)CCSC1CCCNC1=O 62a_100000687798_100000737597 [0,2,0,0,0,1|1,0,0]=4 4339 B15R1.1252 CCNC(=O)CCSC1CCCNC1=O 62a_100000737597_100000687798 [0,2,0,0,0,1|1,0,0]=4 4340 B15R1.1252 CCNC(=O)CCSC1COCCC1=O 62a_100000737597_100012180262 [0,2,0,0,0,1|1,0,0]=4 4341 B15R1.1252 CCNC(=O)CCSC1COCCC1=O 62a_100012180262_100000737597 [0,2,0,0,0,1|1,0,0]=4 4342 B15R1.1252 CCNC(=O)COCC1CCCCC1=O 34a_100009861125_100000183381 [0,2,0,0,0,1|1,0,0]=4 4343 B15R1.1252 CCNC(=O)COCC1CCCCC1=O 7a_100009861125_100000183381 [0,2,0,0,0,1|1,0,0]=4 4344 B15R1.1252 CCOC(=O)CCNC1CCCNC1=O 2230a_100000747585_100011206558 [0,2,0,0,0,1|1,0,0]=4 4345 B15R1.1252 CCOC(=O)CCNC1CCCNC1=O 34a_100000747585_100000765890 [0,2,0,0,0,1|1,0,0]=4 4346 B15R1.1252 CCOC(=O)CCOC1CCCCC1=O 34a_100011214950_100000765890 [0,2,0,0,0,1|1,0,0]=4 4347 B15R1.1252 CCOC(=O)CCOC1CCCNC1=O 34a_100000073722_100000765890 [0,2,0,0,0,1|1,0,0]=4 4348 B15R1.1252 CCOC(=O)CCSC1CCCCC1=O 62a_100000204591_100000765890 [0,2,0,0,0,1|1,0,0]=4 4349 B15R1.1252 CCOC(=O)CCSC1CCCCC1=O 62a_100000765890_100000204591 [0,2,0,0,0,1|1,0,0]=4 4350 B15R1.1252 CCOC(=O)CCSC1CCCNC1=O 62a_100000687798_100000765890 [0,2,0,0,0,1|1,0,0]=4 4351 B15R1.1252 CCOC(=O)CCSC1CCCNC1=O 62a_100000765890_100000687798 [0,2,0,0,0,1|1,0,0]=4 4352 B15R1.1252 CCOC(=O)CCSC1COCCC1=O 62a_100000765890_100012180262 [0,2,0,0,0,1|1,0,0]=4 4353 B15R1.1252 CCOC(=O)CCSC1COCCC1=O 62a_100012180262_100000765890 [0,2,0,0,0,1|1,0,0]=4 4354 B15R1.1252 CCOC(=O)COCC1CCCCC1=O 34a_100009861125_100000188475 [0,2,0,0,0,1|1,0,0]=4 4355 B15R1.1252 CCOC(=O)COCC1CCCCC1=O 7a_100009861125_100000188475 [0,2,0,0,0,1|1,0,0]=4 4356 B15R1.220 CC/C=C/CCCOC1CCCCC1=O 34a_100016287902_100000754470 [0,2,0,0,0,1|0,0,0]=3 4357 B15R1.220 CC/C=C/CCCOC1CCCCC1=O 7a_100016287902_100000204591 [0,2,0,0,0,1|0,0,0]=3 4358 B15R1.220 CC/C=C/CCCOC1CCCNC1=O 34a_100016287902_100000687798 [0,2,0,0,0,1|0,0,0]=3 4359 B15R1.220 CC/C=C/CCCOC1CCCNC1=O 7a_100016287902_100000687798 [0,2,0,0,0,1|0,0,0]=3 4360 B15R1.220 CC/C=C/CCCOC1COCCC1=O 34a_100016287902_100012180262 [0,2,0,0,0,1|0,0,0]=3 4361 B15R1.220 CC/C=C/CCCOC1COCCC1=O 7a_100016287902_100012180262 [0,2,0,0,0,1|0,0,0]=3 4362 B15R1.220 CC/C=C\CCOCC1CCCCC1=O 34a_100009861125_100015370543 [0,2,0,0,0,1|0,0,0]=3 4363 B15R1.220 CC/C=C\CCOCC1CCCCC1=O 7a_100009861125_100015370543 [0,2,0,0,0,1|0,0,0]=3 4364 B15R1.220 CC/C=C\CNCCN1CCCCC1=O 2230a_100160573077_100103147603 [0,2,0,0,0,1|1,0,0]=4 4365 B15R1.220 CC/C=C\CNCCN1CCCCC1=O 34a_100160573077_100103147603 [0,2,0,0,0,1|1,0,0]=4 4366 B15R1.220 CC/C=C\COCCC1NCCNC1=O 34a_100000044719_100103147603 [0,2,0,0,0,1|1,0,0]=4 4367 B15R1.220 CCCC/C=C/COC1CCCCC1=O 34a_200016272032_100000754470 [0,2,0,0,0,1|1,0,0]=4 4368 B15R1.220 CCCC/C=C/COC1CCCCC1=O 7a_200016272032_100000204591 [0,2,0,0,0,1|1,0,0]=4 4369 B15R1.220 CCCC/C=C/COC1CCCNC1=O 34a_200016272032_100000687798 [0,2,0,0,0,1|1,0,0]=4 4370 B15R1.220 CCCC/C=C/COC1CCCNC1=O 7a_200016272032_100000687798 [0,2,0,0,0,1|1,0,0]=4 4371 B15R1.220 CCCC/C=C/COC1COCCC1=O 34a_200016272032_100012180262 [0,2,0,0,0,1|1,0,0]=4 4372 B15R1.220 CCCC/C=C/COC1COCCC1=O 7a_200016272032_100012180262 [0,2,0,0,0,1|1,0,0]=4 4373 B15R1.1409 CC/C=C/CC(=O)NC1CCCNC1=O 11a_100000747585_100016274230 [0,2,0,0,0,1|0,0,1]=4 4374 B15R1.1409 CC/C=C/CC(=O)NC1CCCNC1=O 1626a_100000747585_100016274230 [0,2,0,0,0,1|0,0,1]=4 4375 B15R1.1409 CC/C=C/CC(=O)NC1CCCNC1=O 240690a_100000747585_100016274230 [0,2,0,0,0,1|0,0,1]=4 4376 B15R1.1409 CC/C=C/CC(=O)NC1CCCNC1=O 527a_100000747585_100016274230 [0,2,0,0,0,1|0,0,1]=4 4377 B15R1.1409 CC/C=C\CC(=O)CN1CCOCC1=O 1458a_100000722046_100103147603 [0,2,0,0,0,1|1,0,0]=4 4378 B15R1.3965 CC/C=C\CCC(=O)C1CCCNC1=O 1458a_100000087122_100015370543 [0,2,0,0,0,1|0,0,0]=3 4379 B15R1.3965 CCC/C=C/CC(=O)C1CCCCC1=O 1458a_200016266809_100000204591 [0,2,0,0,0,1|0,0,1]=4 4380 B15R1.3965 CCC/C=C/CC(=O)C1CCCNC1=O 1458a_200016266809_100000687798 [0,2,0,0,0,1|0,0,1]=4 4381 B15R1.3965 CCC/C=C/CC(=O)C1COCCC1=O 1458a_200016266809_100012180262 [0,2,0,0,0,1|0,0,1]=4 4382 B15R1.44685 CC/C=C\CCOC1C(=O)CCCC1=O 7a_100016288707_100009814513 [0,2,0,0,0,1|0,0,0]=3 4383 B15R1.44685 CC/C=C\CCSC1C(=O)CCCC1=O 62a_100009814513_100015370543 [0,2,0,0,0,1|0,0,0]=3 4384 B15R1.44685 CC/C=C\CCSC1C(=O)CCCC1=O 62a_100015370543_100009814513 [0,2,0,0,0,1|0,0,0]=3 4385 B15R1.44685 CCC/C=C/COC1C(=O)CCCC1=O 7a_100016278788_100009814513 [0,2,0,0,0,1|1,0,0]=4 4386 B15R1.3525 CC/C=C\COC[C@@H]1CCCN1C(=O)N 34a_100012022907_100103147603 [0,3,0,0,0,0|1,0,0]=4 4387 B15R1.3525 CC/C=C\COC[C@@H]1CCCN1C(=O)N 7a_100012022907_100103147603 [0,3,0,0,0,0|1,0,0]=4 4388 B15R1.3525 CC/C=C\COC[C@H]1CCCN1C(=O)C 34a_100012242843_100103147603 [0,3,0,0,0,0|1,0,0]=4 4389 B15R1.3525 CC/C=C\COC[C@H]1CCCN1C(=O)C 7a_100012242843_100103147603 [0,3,0,0,0,0|1,0,0]=4 4390 B15R1.742 CCC(=CC(=O)CCN1CCCC1=O)C 1458a_100020758463_100000742232 [0,3,0,0,0,0|1,0,0]=4 4391 B15R1.742 CCC(=O)CC(=O)CCC1CCOC1=O 1458a_100000117037_100000747405 [0,3,0,0,0,0|1,0,0]=4 4392 B15R1.742 CCC(=O)CC(=O)CCN1CCCC1=O 1458a_100000751031_100000747405 [0,3,0,0,0,0|1,0,0]=4 4393 B15R1.356 CC(C)C(=O)NCCNC1CCCC1=O 2230a_100000752568_100000211823 [0,3,0,0,0,0|1,0,0]=4 4394 B15R1.356 CC(C)C(=O)NCCNC1CCCC1=O 34a_100000752568_100000709159 [0,3,0,0,0,0|1,0,0]=4 4395 B15R1.3857 CCOC(=O)/C=C/COC1CCCC1=O 34a_200000719330_100016267167 [0,3,0,0,0,0|0,0,1]=4 4396 B15R1.3857 CCOC(=O)/C=C/CSC1CCCC1=O 62a_100000211823_100016267167 [0,3,0,0,0,0|0,0,1]=4 4397 B15R1.3857 CCOC(=O)/C=C/CSC1CCCC1=O 62a_100016267167_100000211823 [0,3,0,0,0,0|0,0,1]=4 4398 B15R1.3857 CCOC(=O)CCCOC1CCCC1=O 34a_200000719330_100009991533 [0,3,0,0,0,0|0,0,1]=4 4399 B15R1.3857 CCOC(=O)CCCOC1CCCC1=O 7a_100012001163_100000211823 [0,3,0,0,0,0|0,0,1]=4 4400 B15R1.3857 CCOC(=O)CCCSC1CCCC1=O 62a_100000211823_100009991533 [0,3,0,0,0,0|0,0,1]=4 4401 B15R1.3857 CCOC(=O)CCCSC1CCCC1=O 62a_100009991533_100000211823 [0,3,0,0,0,0|0,0,1]=4 4402 B15R1.3857 CCOC(=O)NCCOC1CCCC1=O 34a_100000158857_100000709159 [0,3,0,0,0,0|1,0,0]=4 4403 B15R1.3857 CCOC(=O)NCCSC1CCCC1=O 62a_100000211823_200011445536 [0,3,0,0,0,0|1,0,0]=4 4404 B15R1.5365 CC/C=C/CCCOC1CC(OC1=O)C 34a_100016287902_200000216747 [0,3,0,0,0,0|1,0,0]=4 4405 B15R1.5365 CC/C=C/CCCOC1CC(OC1=O)C 7a_100016287902_200000216747 [0,3,0,0,0,0|1,0,0]=4 4406 B15R1.5787 CC/C=C\CC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_100103147603 [0,3,0,0,0,0|1,0,0]=4 4407 B15R1.11828 CC/C=C\CCO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100015370543 [0,3,0,0,0,0|1,0,0]=4 4408 B15R1.11828 CC/C=C\CCO[C@H]1C(=O)OCC1(C)C 7a_100009815050_100015370543 [0,3,0,0,0,0|1,0,0]=4 4409 B15R1.3480 CCC/C=C(\CC)/COC1CCCC1=O 34a_200015372368_100000709159 [0,3,0,0,0,0|1,0,0]=4 4410 B15R1.3480 CCC/C=C(\CC)/COC1CCCC1=O 7a_200015372368_100000211823 [0,3,0,0,0,0|1,0,0]=4 4411 B15R1.355 CC(C)C=CC(=O)CCN1CCCC1=O 1458a_100016268746_100000742232 [0,3,0,0,0,0|1,0,0]=4 4412 B15R1.1378 CC/C=C/CC(=O)CCN1CCCC1=O 1458a_100016274230_100000742232 [0,3,0,0,0,0|1,0,0]=4 4413 B15R1.1378 CC/C=C\CC(=O)CCC1CCOC1=O 1458a_100000117037_100103147603 [0,3,0,0,0,0|1,0,0]=4 4414 B15R1.1378 CC/C=C\CC(=O)CCN1CCCC1=O 1458a_100000751031_100103147603 [0,3,0,0,0,0|1,0,0]=4 4415 B15R1.1378 CCCC=CC(=O)CCN1CCCC1=O 1458a_100000212230_100000742232 [0,3,0,0,0,0|1,0,0]=4 4416 B15R1.1378 CCOC=CC(=O)CCN1CCCC1=O 1458a_100016266692_100000742232 [0,3,0,0,0,0|1,0,0]=4 4417 B15R1.1378 COCC=CC(=O)CCN1CCCC1=O 1458a_100016285016_100000742232 [0,3,0,0,0,0|1,0,0]=4 4418 B15R1.3935 C=C(COC1CCCC1=O)C(=O)OCC 34a_200000719330_100000755967 [0,3,0,0,0,0|1,0,0]=4 4419 B15R1.3935 C=C(CSC1CCCC1=O)C(=O)OCC 62a_100000211823_100000755967 [0,3,0,0,0,0|1,0,0]=4 4420 B15R1.3935 C=C(CSC1CCCC1=O)C(=O)OCC 62a_100000755967_100000211823 [0,3,0,0,0,0|1,0,0]=4 4421 B15R1.3935 CC/C=C(\C)/C(=O)CCN1CCCC1=O 1458a_100016988807_100000742232 [0,3,0,0,0,0|1,0,0]=4 4422 B15R1.3935 CCNC(=O)C(=O)CCN1CCCC1=O 1458a_200011297158_100000742232 [0,3,0,0,0,0|1,0,0]=4 4423 B15R1.3935 CCOC(=O)C(=O)CSC1CCCC1=O 62a_100000211299_100000211823 [0,3,0,0,0,0|1,0,0]=4 4424 B15R1.3935 CCOC(=O)C(=O)CSC1CCCC1=O 62a_100000211823_100000211299 [0,3,0,0,0,0|1,0,0]=4 4425 B15R1.3730 CCOC(=O)CC(C)SC1CCCC1=O 62a_100000211823_100009817359 [0,3,0,0,0,0|1,0,0]=4 4426 B15R1.3730 CCOC(=O)CC(C)SC1CCCC1=O 62a_100009817359_100000211823 [0,3,0,0,0,0|1,0,0]=4 4427 B15R1.3730 CCOC(=O)C[C@@H](C)OC1CCCC1=O 7a_100009816390_100000211823 [0,3,0,0,0,0|1,0,0]=4 4428 B15R1.254 CC(C)NC(=O)CCSC1CCCC1=O 62a_100000211823_100000737564 [0,3,0,0,0,0|1,0,0]=4 4429 B15R1.254 CC(C)NC(=O)CCSC1CCCC1=O 62a_100000737564_100000211823 [0,3,0,0,0,0|1,0,0]=4 4430 B15R1.254 CC(C)OC(=O)CCSC1CCCC1=O 62a_100000211823_100000760027 [0,3,0,0,0,0|1,0,0]=4 4431 B15R1.254 CC(C)OC(=O)CCSC1CCCC1=O 62a_100000760027_100000211823 [0,3,0,0,0,0|1,0,0]=4 4432 B15R1.3894 CCC=CC(=O)NCCN1CCCC1=O 11a_100011200922_100000212282 [0,3,0,0,0,0|1,0,0]=4 4433 B15R1.3894 CCC=CC(=O)NCCN1CCCC1=O 1626a_100011200922_100000212282 [0,3,0,0,0,0|1,0,0]=4 4434 B15R1.3894 CCC=CC(=O)NCCN1CCCC1=O 240690a_100011200922_100000212282 [0,3,0,0,0,0|1,0,0]=4 4435 B15R1.4574 CCNC(=O)CCC(=O)C1CCCC1=O 1458a_100000199579_100000211823 [0,3,0,0,0,0|1,0,0]=4 4436 B15R1.4574 CCOC(=O)CCC(=O)C1CCCC1=O 1458a_100000183558_100000211823 [0,3,0,0,0,0|1,0,0]=4 4437 B15R1.4574 CCOC(=O)CCN(C)C1CCCC1=O 2230a_100000745921_100000211823 [0,3,0,0,0,0|1,0,0]=4 4438 B15R1.4574 CCOC(=O)CCN(C)C1CCCC1=O 269982a_100000745921_100000211823 [0,3,0,0,0,0|1,0,0]=4 4439 B15R1.1933 CC/C=C/CCCOC1C(=O)CCC1=O 7a_100016287902_100009820769 [0,3,0,0,0,0|0,0,1]=4 4440 B15R1.3515 C=CCCC/C=C/COC1CCCC1=O 34a_200016268473_100000709159 [0,3,0,0,0,0|1,0,0]=4 4441 B15R1.3515 C=CCCC/C=C/COC1CCCC1=O 7a_200016268473_100000211823 [0,3,0,0,0,0|1,0,0]=4 4442 B15R1.3515 CC/C=C\CCCCOC1CCCC1=O 34a_100016287862_100000709159 [0,3,0,0,0,0|0,0,0]=3 4443 B15R1.3515 CC/C=C\CCCCOC1CCCC1=O 7a_100016287862_100000211823 [0,3,0,0,0,0|0,0,0]=3 4444 B15R1.3515 CC/C=C\CCCCOC1CCOC1=O 34a_100016287862_100000211211 [0,3,0,0,0,0|1,0,0]=4 4445 B15R1.3515 CC/C=C\CCCCOC1CCOC1=O 7a_100016287862_100000211211 [0,3,0,0,0,0|1,0,0]=4 4446 B15R1.3515 CC/C=C\CCNCCN1CCCC1=O 2230a_100011200922_100015370543 [0,3,0,0,0,0|1,0,0]=4 4447 B15R1.3515 CC/C=C\CCOCCN1CCCC1=O 34a_100000211209_100015370543 [0,3,0,0,0,0|1,0,0]=4 4448 B15R1.3515 CC/C=C\CCOCCN1CCCC1=O 34a_100016288707_100000739059 [0,3,0,0,0,0|1,0,0]=4 4449 B15R1.3515 CC/C=C\CCOCCN1CCCC1=O 7a_100000211209_100015370543 [0,3,0,0,0,0|1,0,0]=4 4450 B15R1.3515 CC/C=C\CCOCCN1CCCC1=O 7a_100016288707_100000739059 [0,3,0,0,0,0|1,0,0]=4 4451 B15R1.3515 CC/C=C\CCSCCN1CCCC1=O 62a_100000739059_100015370543 [0,3,0,0,0,0|1,0,0]=4 4452 B15R1.3515 CC/C=C\CCSCCN1CCCC1=O 62a_100015370543_100000739059 [0,3,0,0,0,0|1,0,0]=4 4453 B15R1.3515 CC/C=C\CNCCCN1CCCC1=O 2230a_100000210347_100103147603 [0,3,0,0,0,0|1,0,0]=4 4454 B15R1.3515 CC/C=C\CNCCCN1CCCC1=O 34a_100000210347_100103147603 [0,3,0,0,0,0|1,0,0]=4 4455 B15R1.3515 CC/C=C\COCCCN1CCCC1=O 34a_100011216539_100103147603 [0,3,0,0,0,0|1,0,0]=4 4456 B15R1.3515 CC/C=C\COCCCN1CCCC1=O 7a_100011216539_100103147603 [0,3,0,0,0,0|1,0,0]=4 4457 B15R1.3515 CCC/C=C/C=C/COC1CCCC1=O 34a_100016294078_100000709159 [0,3,0,0,0,0|0,0,1]=4 4458 B15R1.3515 CCC/C=C/COCCN1CCCC1=O 34a_100016278788_100000739059 [0,3,0,0,0,0|1,0,0]=4 4459 B15R1.3515 CCC/C=C/COCCN1CCCC1=O 7a_100016278788_100000739059 [0,3,0,0,0,0|1,0,0]=4 4460 B15R1.3515 CCCC/C=C\CCOC1CCCC1=O 34a_200016286491_100000709159 [0,3,0,0,0,0|0,0,0]=3 4461 B15R1.3515 CCCC/C=C\CCOC1CCCC1=O 7a_200016286491_100000211823 [0,3,0,0,0,0|0,0,0]=3 4462 B15R1.3515 CCCC/C=C\CCOC1CCOC1=O 34a_200016286491_100000211211 [0,3,0,0,0,0|1,0,0]=4 4463 B15R1.3515 CCCC/C=C\CCOC1CCOC1=O 7a_200016286491_100000211211 [0,3,0,0,0,0|1,0,0]=4 4464 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 34a_100016258190_100000709159 [0,3,0,0,0,0|1,0,0]=4 4465 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 7a_100016258190_100000211823 [0,3,0,0,0,0|1,0,0]=4 4466 B15R1.3974 CC/C=C\CCC(=O)CN1CCCC1=O 1458a_100000189602_100015370543 [0,3,0,0,0,0|1,0,0]=4 4467 B15R1.5906 CCCC/C=C/CC(=O)C1CCCC1=O 1458a_200016282684_100000211823 [0,3,0,0,0,0|0,0,1]=4 4468 B15R1.9279 CC/C=C/CCCOC1CCN(C1=O)C 34a_100016287902_100000755940 [0,3,0,0,0,0|1,0,0]=4 4469 B15R1.9279 CC/C=C/CCCOC1CCN(C1=O)C 7a_100016287902_100000755940 [0,3,0,0,0,0|1,0,0]=4 4470 B15R1.9279 CC/C=C\CCOCC1CCN(C1=O)C 34a_100009823153_100015370543 [0,3,0,0,0,0|1,0,0]=4 4471 B15R1.4603 CC/C=C\CC(=O)C(C)N1CCCC1=O 1458a_200011194792_100103147603 [0,3,0,0,0,0|1,0,0]=4 4472 B15R1.17015 CC/C=C\CCC(=O)C1CCN(C1=O)C 1458a_100000137746_100015370543 [0,3,0,0,0,0|1,0,0]=4 4473 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [1,0,1,1,0,0|1,0,0]=4 4474 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [1,0,1,1,0,0|1,0,0]=4 4475 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [1,0,1,1,0,0|1,0,0]=4 4476 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [1,0,1,1,0,0|1,0,0]=4 4477 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,1,1,0,0|1,0,0]=4 4478 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,1,1,0,0|1,0,0]=4 4479 B11R1.28 O=CCCCN1CC=CCC1 2230a_100000698166_200011292268 [1,0,1,1,0,0|1,0,0]=4 4480 B11R1.28 O=CCCCN1CC=CCC1 269982a_100000698166_200011292268 [1,0,1,1,0,0|1,0,0]=4 4481 B11R1.28 O=CCOCC1CC=CCC1 34a_100000210713_200009817547 [1,0,1,1,0,0|1,0,0]=4 4482 B11R1.99 CC/C=C/CCCOC1CC1 34a_100016287902_100000211595 [1,0,1,1,0,0|1,0,0]=4 4483 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [1,0,1,1,0,0|0,0,1]=4 4484 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [1,0,1,1,0,0|0,0,1]=4 4485 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [1,0,1,1,0,0|1,0,0]=4 4486 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [1,0,1,1,0,0|1,0,0]=4 4487 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [1,0,1,1,0,0|1,0,0]=4 4488 B11R1.16 CCCC(=O)N1CC=CCC1 11a_100000698166_100000211992 [1,0,1,1,0,0|1,0,0]=4 4489 B11R1.16 CCCC(=O)N1CC=CCC1 1626a_100000698166_100000211992 [1,0,1,1,0,0|1,0,0]=4 4490 B11R1.16 CCCC(=O)N1CC=CCC1 240690a_100000698166_100000211992 [1,0,1,1,0,0|1,0,0]=4 4491 B11R1.16 CCCC(=O)N1CC=CCC1 527a_100000698166_100000211992 [1,0,1,1,0,0|1,0,0]=4 4492 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [1,0,1,1,0,0|0,0,0]=3 4493 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [1,0,1,1,0,0|1,0,0]=4 4494 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [1,0,1,1,0,0|1,0,0]=4 4495 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [1,0,1,1,0,0|1,0,0]=4 4496 B11R1.16 O=C(CCF)[C@H]1CC=CCC1 1458a_100009820709_100011217306 [1,0,1,1,0,0|1,0,0]=4 4497 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [1,0,1,1,0,0|1,0,0]=4 4498 B11R1.356 C/C=C/COCC(=O)C1CC1 34a_100000686663_100102629194 [1,0,1,1,0,0|1,0,0]=4 4499 B11R1.356 C/C=C/COCC(=O)C1CC1 34a_100016270725_100000746382 [1,0,1,1,0,0|1,0,0]=4 4500 B11R1.356 C/C=C/CSCC(=O)C1CC1 62a_100000746382_100102629194 [1,0,1,1,0,0|1,0,0]=4 4501 B11R1.356 C/C=C/CSCC(=O)C1CC1 62a_100102629194_100000746382 [1,0,1,1,0,0|1,0,0]=4 4502 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [1,0,1,1,0,0|0,0,0]=3 4503 B11R1.356 CC/C=C\CCC(=O)C1CO1 1458a_100000701028_100015370543 [1,0,1,1,0,0|1,0,0]=4 4504 B11R1.356 CC=CCOCC(=O)C1CC1 34a_100000686663_100000070051 [1,0,1,1,0,0|1,0,0]=4 4505 B11R1.356 CC=CCSCC(=O)C1CC1 62a_100000070051_100000746382 [1,0,1,1,0,0|1,0,0]=4 4506 B11R1.356 CC=CCSCC(=O)C1CC1 62a_100000746382_100000070051 [1,0,1,1,0,0|1,0,0]=4 4507 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [1,0,1,1,0,0|0,0,1]=4 4508 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [1,0,1,1,0,0|1,0,0]=4 4509 B11R1.40 CCC(=O)CN1CC=CCC1 269982a_100000698166_100000747405 [1,0,1,1,0,0|1,0,0]=4 4510 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [1,0,1,1,0,0|0,0,0]=3 4511 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [1,0,1,1,0,0|1,0,0]=4 4512 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [1,0,1,1,0,0|1,0,0]=4 4513 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [1,0,1,1,0,0|1,0,0]=4 4514 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [1,0,1,1,0,0|1,0,0]=4 4515 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [1,0,1,1,0,0|1,0,0]=4 4516 B11R1.36 CC(=O)C(C)N1CC=CCC1 2230a_100000698166_100009814033 [1,0,1,1,0,0|1,0,0]=4 4517 B11R1.36 CC(=O)C(C)N1CC=CCC1 269982a_100000698166_100009814033 [1,0,1,1,0,0|1,0,0]=4 4518 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [1,0,1,1,0,0|0,0,0]=3 4519 B11R1.3 CCN1CCC(CC1)C(=O)C 1458a_100015186486_200000210301 [1,0,1,1,0,0|1,0,0]=4 4520 B11R1.3 CCN1CCC(CC1)C(=O)[13CH3] 1458a_100015186486_200025704644 [1,0,1,1,0,0|1,0,0]=4 4521 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [1,0,1,1,0,0|0,0,1]=4 4522 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [1,0,1,1,0,0|0,0,1]=4 4523 B11R1.991 C/C=C/CSC1(CC1)C(=O)C 62a_100000086384_100102629194 [1,0,1,1,0,0|1,0,0]=4 4524 B11R1.991 C/C=C/CSC1(CC1)C(=O)C 62a_100102629194_100000086384 [1,0,1,1,0,0|1,0,0]=4 4525 B11R1.991 CC=CCSC1(CC1)C(=O)C 62a_100000070051_100000086384 [1,0,1,1,0,0|1,0,0]=4 4526 B11R1.991 CC=CCSC1(CC1)C(=O)C 62a_100000086384_100000070051 [1,0,1,1,0,0|1,0,0]=4 4527 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [1,0,1,1,0,0|0,0,1]=4 4528 B11R1.23 CCC(=O)N1CCC=C(C1)C 11a_100000725631_100000210414 [1,0,1,1,0,0|1,0,0]=4 4529 B11R1.23 CCC(=O)N1CCC=C(C1)C 1626a_100000725631_100000210414 [1,0,1,1,0,0|1,0,0]=4 4530 B11R1.23 CCC(=O)N1CCC=C(C1)C 240690a_100000725631_100000210414 [1,0,1,1,0,0|1,0,0]=4 4531 B11R1.23 CCC(=O)N1CCC=C(C1)C 527a_100000725631_100000210414 [1,0,1,1,0,0|1,0,0]=4 4532 B11R1.31 CCC(=O)C(C)N1CC=CC1 269982a_100015195280_100000742827 [1,0,1,1,0,0|1,0,0]=4 4533 B11R1.44 CCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210202 [1,0,1,1,0,0|1,0,0]=4 4534 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [1,0,1,1,0,0|0,0,1]=4 4535 B11R1.878 CCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210202 [1,0,1,1,0,0|1,0,0]=4 4536 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [2,0,0,1,0,0|1,0,0]=4 4537 B11R2.115 O=C1CCCC1OC2CC2 34a_200000719330_100000211595 [2,0,0,1,0,0|1,0,0]=4 4538 B11R2.115 O=C1CCCC1SC2CC2 62a_100000211823_100000211595 [2,0,0,1,0,0|1,0,0]=4 4539 B11R2.459 O=C1CCCC1N2CCC2 269982a_100000754969_100000211823 [2,0,0,1,0,0|1,0,0]=4 4540 B11R2.239 C1=CCN(CC1)C2CCC2 269982a_100000698166_100000749161 [1,0,0,1,1,0|1,0,0]=4 4541 B11R2.239 C1=CCN(CC1)C2CCC2 270004a_100000698166_100000241760 [1,0,0,1,1,0|1,0,0]=4 4542 B11R2.239 C1=CCN(CC1)C2CCC2 34a_100000698166_100000749161 [1,0,0,1,1,0|1,0,0]=4 4543 B13R1.362 CC/C=C\CCOCC1CC(=O)C1 34a_100000101936_100015370543 [0,1,1,1,0,0|1,0,0]=4 4544 B13R1.362 CC/C=C\CCOCC1CC(=O)C1 7a_100016288707_100009874392 [0,1,1,1,0,0|1,0,0]=4 4545 B13R1.362 CC/C=C\CCSCC1CC(=O)C1 62a_100009874392_100015370543 [0,1,1,1,0,0|1,0,0]=4 4546 B13R1.362 CC/C=C\CCSCC1CC(=O)C1 62a_100015370543_100009874392 [0,1,1,1,0,0|1,0,0]=4 4547 B13R1.463 CC=CC(=O)C1CCCCCC1=O 1458a_100000210699_100000243696 [0,1,1,1,0,0|0,0,1]=4 4548 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,1,1,1,0,0|0,0,1]=4 4549 B13R1.28 C=CCCCCCN1CC=CCC1 2230a_100000698166_100000700193 [0,1,1,1,0,0|1,0,0]=4 4550 B13R1.28 C=CCCCCCN1CC=CCC1 269982a_100000698166_100000700193 [0,1,1,1,0,0|1,0,0]=4 4551 B13R1.28 C=CCCCCCN1CC=CCC1 34a_100000698166_100000700193 [0,1,1,1,0,0|1,0,0]=4 4552 B13R1.28 C=CCCCCOC1CC=CCC1 34a_100000073881_100011215482 [0,1,1,1,0,0|1,0,0]=4 4553 B13R1.28 C=CCCCNCC1CC=CCC1 270004a_100000700776_100000189434 [0,1,1,1,0,0|1,0,0]=4 4554 B13R1.28 C=CCCCOCC1CC=CCC1 34a_100000210713_100000757094 [0,1,1,1,0,0|1,0,0]=4 4555 B13R1.28 CC/C=C\CCOC1C=CCCC1 34a_100011215024_100015370543 [0,1,1,1,0,0|1,0,0]=4 4556 B13R1.28 CC/C=C\CCOC1C=CCCC1 7a_100016288707_100000751183 [0,1,1,1,0,0|1,0,0]=4 4557 B13R1.28 CC/C=C\CCSC1C=CCCC1 62a_100000751183_100015370543 [0,1,1,1,0,0|1,0,0]=4 4558 B13R1.28 CC/C=C\CCSC1C=CCCC1 62a_100015370543_100000751183 [0,1,1,1,0,0|1,0,0]=4 4559 B13R1.28 O=CCCCCCN1CC=CCC1 2230a_100000698166_100000139337 [0,1,1,1,0,0|0,0,0]=3 4560 B13R1.28 O=CCCCCCN1CC=CCC1 269982a_100000698166_100000139337 [0,1,1,1,0,0|0,0,0]=3 4561 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000139335_100000751183 [0,1,1,1,0,0|1,0,0]=4 4562 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000751183_100000139335 [0,1,1,1,0,0|1,0,0]=4 4563 B13R1.1150 C=CCCOC1CC/C=C\CCC1 34a_100011205117_100021000466 [0,1,1,1,0,0|1,0,0]=4 4564 B13R1.1150 C=CCCOC1CC/C=C\CCC1 34a_100016989180_100000754431 [0,1,1,1,0,0|1,0,0]=4 4565 B13R1.1150 C=CCCSC1CC/C=C\CCC1 62a_100000754431_100021000466 [0,1,1,1,0,0|1,0,0]=4 4566 B13R1.1150 C=CCCSC1CC/C=C\CCC1 62a_100021000466_100000754431 [0,1,1,1,0,0|1,0,0]=4 4567 B13R1.1150 C=CCNCC1CC/C=C\CCC1 2230a_100102730862_100000210623 [0,1,1,1,0,0|1,0,0]=4 4568 B13R1.1150 C=CCNCC1CC/C=C\CCC1 34a_100102730862_100015514636 [0,1,1,1,0,0|1,0,0]=4 4569 B13R1.1150 O=CCNCC1CC/C=C\CCC1 2230a_100102730862_200015260668 [0,1,1,1,0,0|0,0,0]=3 4570 B13R1.1150 O=CCNCC1CC/C=C\CCC1 34a_100102730862_200009817547 [0,1,1,1,0,0|0,0,0]=3 4571 B13R1.674 CCC=CC(=O)C1CCCCC1=O 1458a_100000212282_100000204591 [0,1,1,1,0,0|0,0,1]=4 4572 B13R1.337 CC(=O)CCCCN1CC=CCC1 269982a_100000698166_100000735457 [0,1,1,1,0,0|1,0,0]=4 4573 B13R1.337 CC(=O)CCCCN1CC=CCC1 34a_100000698166_100009817362 [0,1,1,1,0,0|1,0,0]=4 4574 B13R1.337 CC(=O)CCCOC1CC=CCC1 34a_100000073881_100000685027 [0,1,1,1,0,0|1,0,0]=4 4575 B13R1.337 NC(=O)CCCOC1CC=CCC1 34a_100000073881_100102525003 [0,1,1,1,0,0|1,0,0]=4 4576 B13R1.337 NC(=O)CCOCC1CC=CCC1 34a_100000210713_100000731001 [0,1,1,1,0,0|1,0,0]=4 4577 B13R1.1022 CC(=O)COC1CC/C=C\CCC1 34a_100000211253_100021000466 [0,1,1,1,0,0|1,0,0]=4 4578 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 11a_100102730862_100015343762 [0,1,1,1,0,0|1,0,0]=4 4579 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 1626a_100102730862_100015343762 [0,1,1,1,0,0|1,0,0]=4 4580 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 240690a_100102730862_100015343762 [0,1,1,1,0,0|1,0,0]=4 4581 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 527a_100102730862_100103153847 [0,1,1,1,0,0|1,0,0]=4 4582 B13R1.1022 NC(=O)COC1CC/C=C\CCC1 34a_100016989180_100000187820 [0,1,1,1,0,0|1,0,0]=4 4583 B13R1.1022 NC(=O)CSC1CC/C=C\CCC1 62a_100000747473_100021000466 [0,1,1,1,0,0|1,0,0]=4 4584 B13R1.1022 NC(=O)CSC1CC/C=C\CCC1 62a_100021000466_100000747473 [0,1,1,1,0,0|1,0,0]=4 4585 B13R1.1022 O=C(O)CNC1CC/C=C\CCC1 269956a_100016091260_100021000466 [0,1,1,1,0,0|1,0,0]=4 4586 B13R1.1022 O=C([O-])COC1CC/C=C\CCC1 34a_100016989180_100020667443 [0,1,1,1,0,0|1,0,0]=4 4587 B13R1.1022 O=C([O-])CSC1CC/C=C\CCC1 62a_100020667443_100021000466 [0,1,1,1,0,0|1,0,0]=4 4588 B13R1.1022 O=C([O-])CSC1CC/C=C\CCC1 62a_100021000466_100020667443 [0,1,1,1,0,0|1,0,0]=4 4589 B13R1.9 CC1=CCN(CC1)CCCCC=O 2230a_100000693516_100000139335 [0,1,1,1,0,0|1,0,0]=4 4590 B13R1.9 CC1=CCN(CC1)CCCCC=O 269982a_100000693516_100000139335 [0,1,1,1,0,0|1,0,0]=4 4591 B13R1.7456 C=C(C)CC(=O)C1CCC=CCC1 1458a_100000048548_100000748629 [0,1,1,1,0,0|0,0,1]=4 4592 B13R1.7456 CC(C)CC(=O)C1CCC=CCC1 1458a_100000048548_100000210624 [0,1,1,1,0,0|0,0,0]=3 4593 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 11a_100138425928_100000048548 [0,1,1,1,0,0|1,0,0]=4 4594 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 1626a_100138425928_100000048548 [0,1,1,1,0,0|1,0,0]=4 4595 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 240690a_100138425928_100000048548 [0,1,1,1,0,0|1,0,0]=4 4596 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 527a_100138425928_100000048548 [0,1,1,1,0,0|1,0,0]=4 4597 B13R1.7456 CC(O)CC(=O)C1CCC=CCC1 1458a_100000048548_100011218427 [0,1,1,1,0,0|0,0,0]=3 4598 B13R1.7456 O=C(CC(F)F)C1CCC=CCC1 1458a_100000048548_100011934356 [0,1,1,1,0,0|1,0,0]=4 4599 B13R1.2620 CCC(C)C(=O)C1CCC=CCC1 1458a_100000048548_100000758301 [0,1,1,1,0,0|0,0,0]=3 4600 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 11a_100000225621_100000048548 [0,1,1,1,0,0|1,0,0]=4 4601 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 1626a_100000225621_100000048548 [0,1,1,1,0,0|1,0,0]=4 4602 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 240690a_100000225621_100000048548 [0,1,1,1,0,0|1,0,0]=4 4603 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 527a_100000225621_100000048548 [0,1,1,1,0,0|1,0,0]=4 4604 B13R1.20 CCCC(=O)CN1CCC=C(C1)C 2230a_100000725631_100000747444 [0,1,1,1,0,0|1,0,0]=4 4605 B13R1.20 CCCC(=O)CN1CCC=C(C1)C 269982a_100000725631_100000747444 [0,1,1,1,0,0|1,0,0]=4 4606 B13R1.2969 CC/C=C/CC(=O)CC(=O)C1CC1 1458a_100016274230_100000746382 [0,1,1,1,0,0|0,0,1]=4 4607 B13R1.19 CCCC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000747444 [0,1,1,1,0,0|1,0,0]=4 4608 B13R1.19 CCCC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000747444 [0,1,1,1,0,0|1,0,0]=4 4609 B13R1.1496 CCOC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215271 [0,1,1,1,0,0|1,0,0]=4 4610 B13R1.1515 CCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210303 [0,1,1,1,0,0|1,0,0]=4 4611 B13R1.451 CCOC(=O)C1CCC(C1)C(=O)C 1458a_100013035436_200000210301 [0,1,1,1,0,0|1,0,0]=4 4612 B13R1.451 CCOC(=O)C1CCC(C1)C(=O)[13CH3] 1458a_100013035436_200025704644 [0,1,1,1,0,0|1,0,0]=4 4613 B13R1.418 CCC(OC1CC=CCC1)C(=O)N 34a_100000073881_100000750255 [0,1,1,1,0,0|1,0,0]=4 4614 B13R1.2765 CC/C=C/CC(=O)C1(CC1)C(=O)C 1458a_100016274230_100000086384 [0,1,1,1,0,0|0,0,1]=4 4615 B13R1.532 CCC(C(=O)OC)N1CC=CCC1 2230a_100000698166_100000235869 [0,1,1,1,0,0|1,0,0]=4 4616 B13R1.532 CCC(C(=O)OC)N1CC=CCC1 269982a_100000698166_100000235869 [0,1,1,1,0,0|1,0,0]=4 4617 B13R1.532 CCC(C(=O)OC)N1CC=CCC1 34a_100000698166_100000235869 [0,1,1,1,0,0|1,0,0]=4 4618 B13R1.3689 CC/C=C\COC1(CC1)C(=O)OC 34a_100000719341_100103147603 [0,1,1,1,0,0|1,0,0]=4 4619 B13R1.3689 CC/C=C\COC1(CC1)C(=O)OC 34a_100016268518_100000698272 [0,1,1,1,0,0|1,0,0]=4 4620 B13R1.3689 CC/C=C\COC1(CC1)C(=O)OC 7a_100000719341_100103147603 [0,1,1,1,0,0|1,0,0]=4 4621 B13R1.3689 CC/C=C\CSC1(CC1)C(=O)OC 62a_100000698272_100103147603 [0,1,1,1,0,0|1,0,0]=4 4622 B13R1.3689 CC/C=C\CSC1(CC1)C(=O)OC 62a_100103147603_100000698272 [0,1,1,1,0,0|1,0,0]=4 4623 B13R1.658 CC/C=C\CN1CCC(C1)C(=O)N 2230a_100000752358_100103147603 [0,1,1,1,0,0|1,0,0]=4 4624 B13R1.658 CC/C=C\CN1CCC(C1)C(=O)N 269982a_100000752358_100103147603 [0,1,1,1,0,0|1,0,0]=4 4625 B13R1.658 CC/C=C\CN1CCC(C1)C(=O)N 34a_100000752358_100103147603 [0,1,1,1,0,0|1,0,0]=4 4626 B13R1.5433 CC/C=C\CCNC1(CC1)C(=O)N 2230a_100000687655_100015370543 [0,1,1,1,0,0|1,0,0]=4 4627 B13R1.5433 CC/C=C\CCNC1(CC1)C(=O)O 269956a_100000746478_100015370543 [0,1,1,1,0,0|1,0,0]=4 4628 B13R1.5433 CC/C=C\CCOC1(CC1)C(=O)N 34a_100016288707_100010760883 [0,1,1,1,0,0|1,0,0]=4 4629 B13R1.5433 CC/C=C\CCOC1(CC1)C(=O)N 7a_100016288707_100010760883 [0,1,1,1,0,0|1,0,0]=4 4630 B13R1.5433 CC/C=C\CCSC1(CC1)C(=O)C 62a_100000086384_100015370543 [0,1,1,1,0,0|0,0,0]=3 4631 B13R1.5433 CC/C=C\CCSC1(CC1)C(=O)C 62a_100015370543_100000086384 [0,1,1,1,0,0|0,0,0]=3 4632 B13R1.5433 CC/C=C\CCSC1(CC1)C(=O)N 62a_100010760883_100015370543 [0,1,1,1,0,0|1,0,0]=4 4633 B13R1.5433 CC/C=C\CCSC1(CC1)C(=O)N 62a_100015370543_100010760883 [0,1,1,1,0,0|1,0,0]=4 4634 B13R1.5433 CC/C=C\CNCC1(CC1)C(=O)O 269956a_100000703410_100103147603 [0,1,1,1,0,0|1,0,0]=4 4635 B13R1.5433 CC/C=C\COCC1(CC1)C(=O)N 34a_100000117830_100103147603 [0,1,1,1,0,0|1,0,0]=4 4636 B13R1.5433 CC/C=C\COCC1(CC1)C(=O)N 7a_100000117830_100103147603 [0,1,1,1,0,0|1,0,0]=4 4637 B13R1.537 CCC(=O)N1CCC(CC1)C(=O)C 1458a_100000194568_200000210301 [0,1,1,1,0,0|1,0,0]=4 4638 B13R1.537 CCC(=O)N1CCC(CC1)C(=O)[13CH3] 1458a_100000194568_200025704644 [0,1,1,1,0,0|1,0,0]=4 4639 B13R1.152 CC(C)C(=O)C(C)N1CC=CCC1 2230a_100000698166_100009893295 [0,1,1,1,0,0|1,0,0]=4 4640 B13R1.152 CC(C)C(=O)C(C)N1CC=CCC1 269982a_100000698166_100009893295 [0,1,1,1,0,0|1,0,0]=4 4641 B13R1.6161 C=C(C)C(=O)C1CC/C=C\CCC1 1458a_100000185857_100021000466 [0,1,1,1,0,0|0,0,1]=4 4642 B13R1.6161 CC(C)C(=O)C1CC/C=C\CCC1 1458a_100000210198_100021000466 [0,1,1,1,0,0|0,0,0]=3 4643 B13R1.6161 CC(F)C(=O)C1CC/C=C\CCC1 1458a_100000062450_100021000466 [0,1,1,1,0,0|0,0,0]=3 4644 B13R1.6161 C[C@@H](O)C(=O)C1CC/C=C\CCC1 1458a_100000717761_100021000466 [0,1,1,1,0,0|0,0,0]=3 4645 B13R1.6161 C[C@H](O)C(=O)C1CC/C=C\CCC1 1458a_217856618621_100021000466 [0,1,1,1,0,0|0,0,0]=3 4646 B13R1.6161 O=C(C(O)O)C1CC/C=C\CCC1 1458a_100000233687_100021000466 [0,1,1,1,0,0|1,0,0]=4 4647 B13R1.22 CCC(=O)C(C)N1CCC=C(C1)C 2230a_100000725631_100000742827 [0,1,1,1,0,0|1,0,0]=4 4648 B13R1.22 CCC(=O)C(C)N1CCC=C(C1)C 269982a_100000725631_100000742827 [0,1,1,1,0,0|1,0,0]=4 4649 B13R1.49 CCC(=O)C1CCC(=O)N(C1)CC 1458a_100011624518_100000210202 [0,1,1,1,0,0|1,0,0]=4 4650 B13R1.21 CCC(=O)C(C)N1CC=C(CC1)C 2230a_100000693516_100000742827 [0,1,1,1,0,0|1,0,0]=4 4651 B13R1.21 CCC(=O)C(C)N1CC=C(CC1)C 269982a_100000693516_100000742827 [0,1,1,1,0,0|1,0,0]=4 4652 B13R2.27 O=C1CCC1OC2CC=CCC2 34a_100000073881_100009892977 [0,0,1,2,0,0|1,0,0]=4 4653 B13R2.2520 O=CCCCN1CC2C=CC1C2 2230a_100000732668_200011292268 [0,0,1,2,0,0|1,0,0]=4 4654 B13R2.2520 O=CCCCN1CC2C=CC1C2 269982a_100000732668_200011292268 [0,0,1,2,0,0|1,0,0]=4 4655 B13R2.2520 O=CCNCC1CC2C=CC1C2 2230a_100000189500_200015260668 [0,0,1,2,0,0|1,0,0]=4 4656 B13R2.2520 O=CCNCC1CC2C=CC1C2 34a_100000189500_200009817547 [0,0,1,2,0,0|1,0,0]=4 4657 B13R2.2520 O=CCOCC1CC2C=CC1C2 34a_100011215361_200009817547 [0,0,1,2,0,0|1,0,0]=4 4658 B13R2.2520 O=CCSCC1CC2C=CC1C2 62a_100000139495_200015260668 [0,0,1,2,0,0|1,0,0]=4 4659 B13R2.2520 O=CCSCC1CC2C=CC1C2 62a_200015260668_100000139495 [0,0,1,2,0,0|1,0,0]=4 4660 B13R2.444 O=C(CN1CC=CCC1)C2CC2 2230a_100000698166_100000746382 [0,0,1,2,0,0|1,0,0]=4 4661 B13R2.444 O=C(CN1CC=CCC1)C2CC2 269982a_100000698166_100000746382 [0,0,1,2,0,0|1,0,0]=4 4662 B13R2.444 O=C(CN1CC=CCC1)C2CC2 34a_100000698166_100000746382 [0,0,1,2,0,0|1,0,0]=4 4663 B13R2.856 CCCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000210303 [0,0,1,2,0,0|0,0,0]=3 4664 B13R2.856 CCCC(=O)N1CC2C=CC1C2 11a_100000732668_100000211992 [0,0,1,2,0,0|1,0,0]=4 4665 B13R2.856 CCCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000211992 [0,0,1,2,0,0|1,0,0]=4 4666 B13R2.856 CCCC(=O)N1CC2C=CC1C2 527a_100000732668_100000211992 [0,0,1,2,0,0|1,0,0]=4 4667 B13R2.856 CCNC(=O)C1CC2C=CC1C2 11a_100015525214_100000211946 [0,0,1,2,0,0|1,0,0]=4 4668 B13R2.856 CCNC(=O)C1CC2C=CC1C2 240690a_100015525214_100000211946 [0,0,1,2,0,0|1,0,0]=4 4669 B13R2.856 CCNC(=O)C1CC2C=CC1C2 527a_100015525214_100000211946 [0,0,1,2,0,0|1,0,0]=4 4670 B13R2.856 O=C(CCF)C1CC2C=CC1C2 1458a_100000211946_100011217306 [0,0,1,2,0,0|1,0,0]=4 4671 B13R2.856 O=C(CCO)C1CC2C=CC1C2 1458a_100000211946_100000211926 [0,0,1,2,0,0|1,0,0]=4 4672 B13R2.439 CC(=O)C1(CC1)N2CC=CCC2 269982a_100000698166_100000086384 [0,0,1,2,0,0|1,0,0]=4 4673 B13R2.146 CC1=CCN(CC1)C2CCC2=O 269982a_100000693516_100009892977 [0,1,0,1,1,0|1,0,0]=4 4674 B13R2.146 CC1=CCN(CC1)C2CCC2=O 34a_100000693516_100009892977 [0,1,0,1,1,0|1,0,0]=4 4675 B15R2.54 O=C1CCCCCC1N2CC=CCC2 269982a_100000698166_100000243696 [0,0,0,1,0,2|1,0,0]=4 4676 B15R2.54 O=C1NCCCCC1N2CC=CCC2 2230a_100000698166_100000735217 [0,0,0,1,0,2|1,0,0]=4 4677 B15R2.54 O=C1NCCCCC1N2CC=CCC2 269982a_100000698166_100000735217 [0,0,0,1,0,2|1,0,0]=4 4678 B15R2.308 CC1=CCN(CC1)C2CCCCC2=O 269982a_100000693516_100000204591 [0,1,0,1,0,1|1,0,0]=4 4679 B15R2.308 CC1=CCN(CC1)C2CCCCC2=O 34a_100000693516_100000754470 [0,1,0,1,0,1|1,0,0]=4 4680 B15R2.308 CC1=CCN(CC1)C2CCCNC2=O 2230a_100000693516_100000687798 [0,1,0,1,0,1|1,0,0]=4 4681 B15R2.308 CC1=CCN(CC1)C2CCCNC2=O 269982a_100000693516_100000687798 [0,1,0,1,0,1|1,0,0]=4 4682 B15R2.308 CC1=CCN(CC1)C2CCCNC2=O 34a_100000693516_100000687798 [0,1,0,1,0,1|1,0,0]=4 4683 B15R2.308 CC1=CCN(CC1)C2COCCC2=O 34a_100000693516_100012180262 [0,1,0,1,0,1|1,0,0]=4 4684 B15R2.38 O=C1CCCCC1OC2C=CCCC2 34a_100011215024_100000754470 [0,1,0,1,0,1|1,0,0]=4 4685 B15R2.38 O=C1CCCCC1OC2CC=CCC2 34a_100000073881_100000754470 [0,1,0,1,0,1|0,0,0]=3 4686 B15R2.38 O=C1CCCCC1SC2C=CCCC2 62a_100000204591_100000751183 [0,1,0,1,0,1|1,0,0]=4 4687 B15R2.38 O=C1CCCCC1SC2C=CCCC2 62a_100000751183_100000204591 [0,1,0,1,0,1|1,0,0]=4 4688 B15R2.38 O=C1CCOCC1OC2C=CCCC2 34a_100011215024_100012180262 [0,1,0,1,0,1|1,0,0]=4 4689 B15R2.38 O=C1CCOCC1OC2CC=CCC2 34a_100000073881_100012180262 [0,1,0,1,0,1|0,0,0]=3 4690 B15R2.38 O=C1CCOCC1SC2C=CCCC2 62a_100000751183_100012180262 [0,1,0,1,0,1|1,0,0]=4 4691 B15R2.38 O=C1CCOCC1SC2C=CCCC2 62a_100012180262_100000751183 [0,1,0,1,0,1|1,0,0]=4 4692 B15R2.38 O=C1NCCCC1NC2C=CCCC2 2230a_100000747585_100000751183 [0,1,0,1,0,1|1,0,0]=4 4693 B15R2.38 O=C1NCCCC1OC2C=CCCC2 34a_100011215024_100000687798 [0,1,0,1,0,1|1,0,0]=4 4694 B15R2.38 O=C1NCCCC1OC2CC=CCC2 34a_100000073881_100000687798 [0,1,0,1,0,1|0,0,0]=3 4695 B15R2.38 O=C1NCCCC1SC2C=CCCC2 62a_100000687798_100000751183 [0,1,0,1,0,1|1,0,0]=4 4696 B15R2.38 O=C1NCCCC1SC2C=CCCC2 62a_100000751183_100000687798 [0,1,0,1,0,1|1,0,0]=4 4697 B15R2.2348 CCC1C=CCN1C2CCCCC2=O 269982a_100000730860_100000204591 [0,1,0,1,0,1|1,0,0]=4 4698 B15R2.2348 CCC1C=CCN1C2CCCCC2=O 34a_100000730860_100000754470 [0,1,0,1,0,1|1,0,0]=4 4699 B15R2.2348 CCC1C=CCN1C2CCCNC2=O 2230a_100000730860_100000687798 [0,1,0,1,0,1|1,0,0]=4 4700 B15R2.2348 CCC1C=CCN1C2CCCNC2=O 269982a_100000730860_100000687798 [0,1,0,1,0,1|1,0,0]=4 4701 B15R2.2348 CCC1C=CCN1C2CCCNC2=O 34a_100000730860_100000687798 [0,1,0,1,0,1|1,0,0]=4 4702 B15R2.2348 CCC1C=CCN1C2COCCC2=O 34a_100000730860_100012180262 [0,1,0,1,0,1|1,0,0]=4 4703 B15R2.541 O=C1CCCC(=O)C1N2CC=CCC2 2230a_100000698166_100009814513 [0,1,0,1,0,1|1,0,0]=4 4704 B15R2.541 O=C1CCCC(=O)C1N2CC=CCC2 269982a_100000698166_100009814513 [0,1,0,1,0,1|1,0,0]=4 4705 B15R2.2326 CCC1C=CCN1CN2CCCC2=O 269982a_100000730860_100000026320 [0,2,0,1,0,0|1,0,0]=4 4706 B15R2.287 N[C@H]1C=C[C@H](C1)COC2CCCC2=O 34a_100020646542_100000709159 [0,2,0,1,0,0|0,0,0]=3 4707 B15R2.287 N[C@H]1C=C[C@H](C1)COC2CCOC2=O 34a_100020646542_100000211211 [0,2,0,1,0,0|1,0,0]=4 4708 B15R2.287 O=C1CCC(N1)COC2CCCC2=O 34a_100000737831_100000709159 [0,2,0,1,0,0|1,0,0]=4 4709 B15R2.287 O=C1CC[C@@H](N1)CNC2CCCC2=O 2230a_100015423886_100000211823 [0,2,0,1,0,0|1,0,0]=4 4710 B15R2.287 O=C1CC[C@@H](N1)CNC2CCCC2=O 34a_100015423886_100000709159 [0,2,0,1,0,0|1,0,0]=4 4711 B15R2.287 O=C1CC[C@H](N1)CSC2CCCC2=O 62a_100000211823_100015189358 [0,2,0,1,0,0|1,0,0]=4 4712 B15R2.287 O=C1CC[C@H](N1)CSC2CCCC2=O 62a_100015189358_100000211823 [0,2,0,1,0,0|1,0,0]=4 4713 B15R2.1510 CC1=CCN(CC1)CN2CCCC2=O 269982a_100000693516_100000026320 [0,2,0,1,0,0|1,0,0]=4 4714 B15R2.1510 O=C1CCC(CC1)OC2CCCC2=O 34a_100000764474_100000709159 [0,2,0,1,0,0|0,0,1]=4 4715 B15R2.1510 O=C1CCC(CC1)OC2CCCC2=O 7a_100000764474_100000211823 [0,2,0,1,0,0|0,0,1]=4 4716 B15R2.1510 O=C1CCC(CN1)NC2CCCC2=O 2230a_100000748762_100000211823 [0,2,0,1,0,0|1,0,0]=4 4717 B15R2.1510 O=C1CCC(CN1)NC2CCCC2=O 34a_100000748762_100000709159 [0,2,0,1,0,0|1,0,0]=4 4718 B15R2.1510 O=C1CCC(CN1)OC2CCCC2=O 34a_100000079199_100000709159 [0,2,0,1,0,0|1,0,0]=4 4719 B15R2.522 O=C1CCC1CCSC2CCCC2=O 62a_100000211823_200016118888 [0,2,0,1,0,0|0,0,1]=4 4720 B15R2.522 O=C1CCC1CCSC2CCCC2=O 62a_200016118888_100000211823 [0,2,0,1,0,0|0,0,1]=4 4721 B15R2.2247 O=C1CCCC1N[C@H]2C=C[C@H](C2)CO 2230a_100020646542_100000211823 [0,2,0,1,0,0|1,0,0]=4 4722 B15R2.2247 O=C1CCCC1N[C@H]2C=C[C@H](C2)CO 34a_100020646542_100000709159 [0,2,0,1,0,0|1,0,0]=4 4723 B15R2.325 CC1CC(C(=O)O1)OC2CC=CCC2 34a_100000073881_200000216747 [0,2,0,1,0,0|1,0,0]=4 4724 B15R2.55 O=C1CCCC1OCC2CC=CCC2 34a_100000210713_100000709159 [0,2,0,1,0,0|0,0,0]=3 4725 B15R2.55 O=C1CCCC1OCC2CCC=CO2 34a_100011217868_100000709159 [0,2,0,1,0,0|0,0,0]=3 4726 B15R2.55 O=C1CCCN1CCN2CC=CCC2 2230a_100000698166_100000739059 [0,2,0,1,0,0|1,0,0]=4 4727 B15R2.55 O=C1CCCN1CCN2CC=CCC2 269982a_100000698166_100000739059 [0,2,0,1,0,0|1,0,0]=4 4728 B15R2.55 O=C1CCCN1CCN2CC=CCC2 34a_100000698166_100000739059 [0,2,0,1,0,0|1,0,0]=4 4729 B15R2.55 O=C1CCCN1CSC2C=CCCC2 62a_100000026320_100000751183 [0,2,0,1,0,0|1,0,0]=4 4730 B15R2.55 O=C1CCCN1CSC2C=CCCC2 62a_100000751183_100000026320 [0,2,0,1,0,0|1,0,0]=4 4731 B15R2.55 O=C1NCCC1NCC2CC=CCC2 270004a_100016995588_100000189434 [0,2,0,1,0,0|1,0,0]=4 4732 B15R2.55 O=C1OCCC1OCC2CC=CCC2 34a_100000210713_100000211211 [0,2,0,1,0,0|1,0,0]=4 4733 B15R2.55 O=C1OCCC1OCC2CCC=CO2 34a_100011217868_100000211211 [0,2,0,1,0,0|1,0,0]=4 4734 B15R2.411 O=C1CCC=C1COC2CCCC2=O 34a_100000087531_100000709159 [0,2,0,1,0,0|1,0,0]=4 4735 B15R2.411 O=C1NCCC1COC2CCCC2=O 34a_100000133458_100000709159 [0,2,0,1,0,0|1,0,0]=4 4736 B15R2.410 O=C(CC1C=CCC1)C2CCOC2=O 1458a_100000212241_100000211211 [0,2,0,1,0,0|1,0,0]=4 4737 B15R2.410 O=C1CCCC1C(=O)CC2=CCCC2 1458a_100000050221_100000211823 [0,2,0,1,0,0|0,0,1]=4 4738 B15R2.410 O=C1CCCC1C(=O)CC2C=CCC2 1458a_100000212241_100000211823 [0,2,0,1,0,0|0,0,0]=3 4739 B15R2.395 O=C1CCCC1C(=O)[C@H]2CC=CCC2 1458a_100009820709_100000211823 [0,2,0,1,0,0|0,0,0]=3 4740 B15R2.395 O=C1OCCC1C(=O)[C@H]2CC=CCC2 1458a_100009820709_100000211211 [0,2,0,1,0,0|1,0,0]=4 4741 B15R2.4083 CN1CCC(C1=O)OC2CC=CCC2 34a_100000073881_100000755940 [0,2,0,1,0,0|1,0,0]=4 4742 B9R1.17 C/C=C/CNC1CCC1 34a_100000749019_100102629194 [2,0,0,0,1,0|1,0,0]=4 4743 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [2,0,0,0,1,0|1,0,0]=4 4744 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [2,0,0,0,1,0|1,0,0]=4 4745 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [2,0,0,0,1,0|1,0,0]=4 4746 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [2,0,0,0,1,0|1,0,0]=4 4747 B9R1.17 CC=CCNC1CCC1 2230a_100000749019_100000070051 [2,0,0,0,1,0|1,0,0]=4 4748 B9R1.17 CC=CCNC1CCC1 34a_100000749019_100000070051 [2,0,0,0,1,0|1,0,0]=4 4749 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [2,0,0,0,1,0|1,0,0]=4 4750 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [2,0,0,0,1,0|1,0,0]=4 4751 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [2,0,0,0,1,0|1,0,0]=4 4752 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [2,0,0,0,1,0|1,0,0]=4 4753 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [2,0,0,0,1,0|1,0,0]=4 4754 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [2,0,0,0,1,0|1,0,0]=4 4755 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [2,0,0,0,1,0|1,0,0]=4 4756 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [2,0,0,0,1,0|1,0,0]=4 4757 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [2,0,0,0,1,0|1,0,0]=4 4758 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [2,0,0,0,1,0|1,0,0]=4 4759 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [2,0,0,0,1,0|1,0,0]=4 4760 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [2,0,0,0,1,0|1,0,0]=4 4761 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [2,0,0,0,1,0|1,0,0]=4 4762 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [2,0,0,0,1,0|1,0,0]=4 4763 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,0,2,0|1,0,0]=4 4764 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,0,2,0|1,0,0]=4 4765 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,0,2,0|1,0,0]=4