0 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.6 C#CCCOC(C)C=C 34a_100000695699_100000688953 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.6 C#CCCSC(C)C=C 62a_100011215867_100000688953 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.6 C#CCNCC(O)C=C 34a_100000212058_100000730141 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.6 C#CCOCC(C)C=C 34a_100011215527_100000184674 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.6 C#CCOCC(C)C=C 7a_100011215527_100000038162 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.6 C#CCOCC(O)C=C 34a_100000210247_100000730141 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.6 C#CCOC[C@@H](N)C=C 34a_100016989147_100000184674 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.6 C#CCSCC(O)C=C 62a_100000038162_100000730141 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,0,0,0,0,0|0,0,4]=4 18 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,0,0,0,0,0|0,0,4]=4 19 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,0,0,0,0,0|1,0,3]=4 20 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,0,0,0,0|0,0,2]=2 21 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.6 C=CC(C)COCC#N 7a_100011215527_100011215382 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,0,0,0,0,0|2,0,0]=2 53 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,0,0,0,0,0|3,0,0]=3 56 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.6 C=CC(C)OCC#CC 34a_100000695699_100000748600 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [0,0,0,0,0,0|2,0,2]=4 61 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,0,0,0,0,0|2,0,0]=2 62 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.6 C=CC(C)SCC#CC 62a_100011215867_100000748600 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.6 C=CC(C)SCCC#N 62a_100011215867_100011215226 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,0,0,0,0,0|2,0,0]=2 71 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,0,0,0,0,0|2,0,0]=2 77 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,0,0,0,0,0|2,0,0]=2 78 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,0,0,0,0,0|2,0,0]=2 79 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,0,0,0,0,0|2,0,0]=2 80 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,0,0,0,0,0|1,0,0]=1 81 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,0,0,0,0,0|2,0,0]=2 82 B8R0.6 C=CC(O)CSCC#N 62a_100000730141_100011215382 [0,0,0,0,0,0|2,0,1]=3 83 B8R0.6 C=CC(O)CSCC#N 62a_100011215382_100000730141 [0,0,0,0,0,0|2,0,1]=3 84 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,0,0,0,0,0|2,0,1]=3 85 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,0,0,0,0,0|2,0,1]=3 86 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,0,0,0,0,0|1,0,0]=1 87 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,0,0,0,0,0|1,0,0]=1 88 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,0,0,0,0,0|2,0,0]=2 89 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,0,0,0,0,0|2,0,0]=2 90 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,0,0,0,0,0|2,0,0]=2 91 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,0,0,0,0,0|2,0,0]=2 92 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,0,0,0,0,0|2,0,0]=2 93 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,0,0,0,0,0|2,0,0]=2 94 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,0,0,0,0,0|2,0,0]=2 95 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,0,0,0,0,0|2,0,0]=2 96 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,0,0,0,0,0|0,0,4]=4 97 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [0,0,0,0,0,0|2,0,2]=4 99 B8R0.6 C=CCNCC(O)C=C 2230a_100020586998_100000730141 [0,0,0,0,0,0|1,0,2]=3 100 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [0,0,0,0,0,0|2,0,2]=4 102 B8R0.6 C=CCOCC(O)C=C 34a_200000210373_100000730141 [0,0,0,0,0,0|1,0,2]=3 103 B8R0.6 C=CCOC[C@@H](N)C=C 34a_100016989147_100015514636 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.6 C=CCSCC(O)C=C 62a_100000210623_100000730141 [0,0,0,0,0,0|1,0,2]=3 105 B8R0.6 C=CCSCC(O)C=C 62a_100000730141_100000210623 [0,0,0,0,0,0|1,0,2]=3 106 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,0,0,0,0,0|2,0,0]=2 108 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,0,0,0,0,0|2,0,2]=4 113 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,0,0,0,0,0|2,0,2]=4 117 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,0,0,0,0,0|2,0,2]=4 123 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,0,0,0,0,0|2,0,2]=4 124 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,0,0,0,0,0|2,0,2]=4 126 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,0,0,0,0,0|2,0,2]=4 127 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,0,0,0,0,0|2,0,2]=4 128 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,0,0,0,0,0|2,0,2]=4 129 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,0,0,0,0,0|2,0,2]=4 130 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,0,0,0,0|0,0,4]=4 131 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,0,0,0,0|0,0,4]=4 132 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,0,0,0,0|1,0,3]=4 133 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,0,0,0,0|1,0,3]=4 134 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,0,0,0,0|1,0,3]=4 135 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,0,0,0,0|1,0,3]=4 136 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,0,0,0,0|1,0,3]=4 137 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,0,0,0,0|1,0,3]=4 138 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,0,0,0,0,0|2,0,1]=3 139 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,0,0,0,0,0|2,0,1]=3 140 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,0,0,0,0,0|2,0,1]=3 141 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,0,0,0,0,0|2,0,1]=3 142 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,0,0,0,0,0|2,0,1]=3 143 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,0,0,0,0,0|2,0,1]=3 144 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,0,0,0,0,0|2,0,1]=3 145 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,0,0,0,0,0|2,0,1]=3 146 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,0,0,0,0,0|2,0,1]=3 147 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,0,0,0,0,0|2,0,1]=3 148 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,0,0,0,0,0|2,0,1]=3 149 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,0,0,0,0,0|2,0,1]=3 150 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,0,0,0,0,0|2,0,1]=3 151 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,0,0,0,0,0|2,0,1]=3 152 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,0,0,0,0,0|2,0,1]=3 153 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [0,0,0,0,0,0|3,0,1]=4 159 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [0,0,0,0,0,0|3,0,1]=4 161 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,0,0,0,0,0|2,0,2]=4 162 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,0,0,0,0,0|2,0,2]=4 163 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,0,0,0,0,0|2,0,2]=4 164 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [0,0,0,0,0,0|3,0,1]=4 168 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,0,0,0,0,0|2,0,2]=4 170 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,0,0,0,0,0|2,0,2]=4 171 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,0,0,0,0,0|2,0,2]=4 172 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,0,0,0,0,0|3,0,1]=4 184 B8R0.6 CCCCSC(F)C#N 62a_100000210211_200000117898 [0,0,0,0,0,0|3,0,1]=4 185 B8R0.6 CCCCSC(F)C#N 62a_200000117898_100000210210 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,0,0,0,0,0|3,0,1]=4 187 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,0,0,0,0,0|3,0,1]=4 188 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,0,0,0,0,0|1,0,2]=3 192 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,0,0,0,0,0|3,0,1]=4 193 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,0,0,0,0,0|3,0,1]=4 194 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,0,0,0,0,0|2,0,1]=3 195 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,0,0,0,0,0|2,0,2]=4 196 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,0,0,0,0,0|3,0,1]=4 198 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,0,0,0,0,0|1,0,2]=3 200 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,0,0,0,0,0|2,0,1]=3 201 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,0,0,0,0,0|2,0,2]=4 202 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,0,0,0,0,0|2,0,2]=4 203 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,0,0,0,0,0|2,0,1]=3 205 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,0,0,0,0,0|2,0,2]=4 208 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,0,0,0,0,0|2,0,2]=4 209 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,0,0,0,0,0|3,0,1]=4 210 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,0,0,0,0,0|1,0,2]=3 211 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,0,0,0,0,0|1,0,2]=3 212 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,0,0,0,0,0|2,0,1]=3 213 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,0,0,0,0,0|2,0,1]=3 214 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,0,0,0,0,0|2,0,2]=4 215 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,0,0,0,0,0|2,0,2]=4 216 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,0,0,0,0,0|3,0,1]=4 218 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,0,0,0,0,0|2,0,1]=3 219 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,0,0,0,0,0|2,0,1]=3 220 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,0,0,0,0,0|2,0,1]=3 221 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,0,0,0,0,0|2,0,1]=3 222 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,0,0,0,0,0|2,0,2]=4 223 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,0,0,0,0,0|2,0,2]=4 226 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,0,0,0,0,0|3,0,1]=4 239 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,0,0,0,0,0|3,0,1]=4 240 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,0,0,0,0,0|3,0,1]=4 241 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,0,0,0,0,0|3,0,1]=4 254 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,0,0,0,0,0|3,0,1]=4 256 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,0,0,0,0,0|3,0,1]=4 257 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,0,0,0,0,0|3,0,1]=4 258 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,0,0,0,0,0|3,0,1]=4 259 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,0,0,0,0,0|3,0,1]=4 260 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,0,0,0,0,0|3,0,1]=4 261 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,0,0,0,0,0|3,0,1]=4 262 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,0,0,0,0,0|3,0,1]=4 263 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,0,0,0,0,0|3,0,1]=4 264 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,0,0,0,0,0|3,0,1]=4 265 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,0,0,0,0,0|3,0,1]=4 266 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,0,0,0,0,0|3,0,1]=4 267 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,0,0,0,0,0|3,0,1]=4 268 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,0,0,0,0,0|3,0,1]=4 269 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,0,0,0,0,0|3,0,1]=4 270 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,0,0,0,0,0|3,0,1]=4 271 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,0,0,0,0,0|3,0,1]=4 273 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,0,0,0,0,0|3,0,1]=4 274 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,0,0,0,0,0|3,0,1]=4 275 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,0,0,0,0,0|3,0,1]=4 276 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,0,0,0,0,0|3,0,1]=4 277 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,0,0,0,0,0|3,0,1]=4 278 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 279 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 280 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 281 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|1,0,2]=4 282 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 283 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 284 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 285 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 286 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,2]=4 287 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 288 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 289 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 290 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 291 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 292 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 293 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 294 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|1,0,2]=4 295 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|1,0,2]=4 296 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 297 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 298 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 299 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|1,0,2]=4 300 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|1,0,2]=4 301 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [1,0,0,0,0,0|1,0,2]=4 302 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [1,0,0,0,0,0|1,0,2]=4 303 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|1,0,2]=4 304 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [1,0,0,0,0,0|1,0,2]=4 305 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [1,0,0,0,0,0|1,0,2]=4 306 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|1,0,2]=4 307 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|1,0,2]=4 308 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [1,0,0,0,0,0|1,0,2]=4 309 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [1,0,0,0,0,0|1,0,2]=4 310 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|1,0,2]=4 311 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|1,0,2]=4 312 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [1,0,0,0,0,0|1,0,2]=4 313 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [1,0,0,0,0,0|1,0,2]=4 314 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|1,0,2]=4 315 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|1,0,2]=4 316 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|1,0,2]=4 317 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [1,0,0,0,0,0|1,0,2]=4 318 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [1,0,0,0,0,0|1,0,2]=4 319 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|1,0,2]=4 320 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|1,0,2]=4 321 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|1,0,2]=4 322 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [1,0,0,0,0,0|1,0,2]=4 323 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|1,0,2]=4 324 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,2]=4 325 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,2]=4 326 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,2]=4 327 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,2]=4 328 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,2]=4 329 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,0]=2 330 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,0]=2 331 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,0]=2 332 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,0]=2 333 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,0]=2 334 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,0]=2 335 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,0]=2 336 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,0]=2 337 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,0]=2 338 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,0]=2 339 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,0]=2 340 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,0]=2 341 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,0]=2 342 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,0]=2 343 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,0]=2 344 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,0]=2 345 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,0]=2 346 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,0]=2 347 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,0]=2 348 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|2,0,0]=3 349 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,0]=2 350 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,0]=2 351 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,0]=2 352 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|2,0,0]=3 353 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|2,0,0]=3 354 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,0]=2 355 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,0]=2 356 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|2,0,0]=3 357 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|2,0,0]=3 358 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [1,0,0,0,0,0|1,0,2]=4 360 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [1,0,0,0,0,0|1,0,2]=4 361 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,0]=2 363 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|2,0,0]=3 364 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|2,0,0]=3 365 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|2,0,0]=3 366 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|2,0,0]=3 367 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|2,0,0]=3 368 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|2,0,0]=3 369 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|2,0,0]=3 370 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [1,0,0,0,0,0|1,0,2]=4 371 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [1,0,0,0,0,0|1,0,2]=4 372 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|2,0,0]=3 374 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,0]=2 375 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,0]=2 376 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|2,0,0]=3 377 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|2,0,0]=3 379 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|2,0,0]=3 380 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [1,0,0,0,0,0|1,0,2]=4 383 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [1,0,0,0,0,0|1,0,2]=4 384 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,0]=2 387 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,0]=2 388 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|2,0,0]=3 389 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|2,0,0]=3 390 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|2,0,0]=3 391 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|2,0,0]=3 392 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|2,0,0]=3 393 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|2,0,0]=3 394 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|2,0,0]=3 395 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|2,0,0]=3 396 B7R0.1 C=CCNCC#CC 2230a_100000685387_100000210623 [1,0,0,0,0,0|1,0,2]=4 397 B7R0.1 C=CCNCC#CC 2230a_100020586998_100000748600 [1,0,0,0,0,0|1,0,2]=4 398 B7R0.1 C=CCNCC#CC 34a_100000685387_100015514636 [1,0,0,0,0,0|1,0,2]=4 399 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [1,0,0,0,0,0|1,0,2]=4 400 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,0]=2 402 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,0]=2 403 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,0]=2 404 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,0,0,0,0,0|2,0,0]=3 405 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,0,0,0,0,0|2,0,0]=3 406 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,0,0,0,0,0|2,0,0]=3 407 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|2,0,0]=3 408 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|2,0,0]=3 409 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|2,0,0]=3 410 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|2,0,0]=3 411 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|2,0,0]=3 412 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [1,0,0,0,0,0|1,0,2]=4 413 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [1,0,0,0,0,0|1,0,2]=4 414 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [1,0,0,0,0,0|1,0,2]=4 415 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [1,0,0,0,0,0|1,0,2]=4 416 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [1,0,0,0,0,0|1,0,2]=4 417 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,0]=2 419 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,0]=2 420 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,0]=2 421 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,0,0,0,0|2,0,0]=3 422 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,0,0,0,0|2,0,0]=3 423 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,0,0,0,0|2,0,0]=3 424 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,0,0,0,0|2,0,0]=3 425 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|2,0,0]=3 426 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|2,0,0]=3 427 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|2,0,0]=3 428 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|2,0,0]=3 429 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|2,0,0]=3 430 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [1,0,0,0,0,0|3,0,0]=4 431 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|2,0,0]=3 432 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|2,0,0]=3 433 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [1,0,0,0,0,0|1,0,2]=4 437 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [1,0,0,0,0,0|1,0,2]=4 438 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [1,0,0,0,0,0|1,0,2]=4 439 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [1,0,0,0,0,0|1,0,2]=4 440 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [1,0,0,0,0,0|1,0,2]=4 441 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [1,0,0,0,0,0|1,0,2]=4 442 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,0]=2 445 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,0]=2 446 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|2,0,0]=3 447 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|2,0,0]=3 449 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|2,0,0]=3 454 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|2,0,0]=3 456 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|2,0,0]=3 457 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|2,0,0]=3 458 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|2,0,0]=3 459 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [1,0,0,0,0,0|3,0,0]=4 464 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|2,0,0]=3 466 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [1,0,0,0,0,0|3,0,0]=4 467 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [1,0,0,0,0,0|3,0,0]=4 468 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,2]=4 469 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,2]=4 470 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,2]=4 471 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,2]=4 472 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,2]=4 473 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,1]=3 475 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 476 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,1]=3 477 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 478 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,1]=3 479 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 480 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,1]=3 481 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 482 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 483 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 484 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 485 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 486 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 487 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 488 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,2]=4 489 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,2]=4 490 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 491 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,2]=4 492 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 493 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,2]=4 496 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,2]=4 497 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|2,0,0]=3 502 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|2,0,0]=3 503 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,2]=4 504 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,2]=4 505 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 513 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 514 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 515 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|2,0,0]=3 517 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 518 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 519 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,2]=4 520 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 521 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 523 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|2,0,1]=4 525 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|2,0,0]=3 537 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|2,0,0]=3 538 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,2]=4 539 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,2]=4 540 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 548 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 549 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 550 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,1]=4 551 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 552 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,1]=4 553 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,1]=4 554 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,1]=4 555 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 564 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 565 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,1]=4 569 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 570 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|3,0,0]=4 571 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 572 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 573 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,1]=4 584 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|2,0,1]=4 585 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,1]=4 587 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,1]=4 591 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|2,0,0]=3 598 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,1]=4 599 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|2,0,1]=4 601 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 602 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,1]=4 603 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,1]=4 610 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 611 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 624 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,1]=4 625 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 628 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 629 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 630 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,1]=4 631 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,1]=4 632 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 633 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,1]=4 634 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,1]=4 635 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|3,0,0]=4 636 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|3,0,0]=4 637 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 638 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 639 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|2,0,0]=3 640 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|2,0,0]=3 641 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,1]=4 642 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 645 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,1]=4 647 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,1]=4 648 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 649 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 650 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 653 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|2,0,0]=3 654 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|2,0,0]=3 655 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 656 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 658 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 659 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 660 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 661 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|2,0,1]=4 662 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 663 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 664 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,1]=4 665 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 666 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 667 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 668 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 669 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,1]=4 671 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 672 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 673 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 674 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,1]=4 676 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,1]=4 677 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,1]=4 678 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 679 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,1]=4 680 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,1]=4 683 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,1]=4 684 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|3,0,0]=4 685 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|3,0,0]=4 686 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|3,0,0]=4 687 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|3,0,0]=4 688 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|2,0,0]=3 691 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|2,0,0]=3 692 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,1]=4 694 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 695 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|2,0,1]=4 696 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 697 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|3,0,0]=4 699 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|3,0,0]=4 700 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|3,0,0]=4 701 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|3,0,0]=4 702 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|3,0,0]=4 703 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,0,0,0,0|3,0,0]=4 704 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,0,0,0,0|3,0,0]=4 705 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,0,0,0,0|3,0,0]=4 706 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,0,0,0,0|3,0,0]=4 707 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,0,0,0,0|3,0,0]=4 708 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,0,0,0,0|3,0,0]=4 709 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,0,0,0,0|3,0,0]=4 710 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,0,0,0,0|3,0,0]=4 711 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,0,0,0,0|3,0,0]=4 712 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,0,0,0,0|3,0,0]=4 713 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|3,0,0]=4 714 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|3,0,0]=4 715 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 716 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 719 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 720 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 721 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 722 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 723 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 724 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 725 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 726 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|2,0,0]=3 727 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|2,0,0]=3 728 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,1]=4 729 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,1]=4 730 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 731 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|2,0,1]=4 732 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|0,0,2]=3 733 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|1,0,2]=4 734 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,2]=4 735 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,0,2]=4 736 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,2]=4 737 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,2]=4 738 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,2]=4 739 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,0,0,0,0|2,0,0]=3 740 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,0,0,0,0|2,0,0]=3 741 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [1,0,0,0,0,0|3,0,0]=4 742 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [1,0,0,0,0,0|3,0,0]=4 743 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,0,0,0,0|2,0,0]=3 744 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [1,0,0,0,0,0|3,0,0]=4 745 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,0,0,0,0,0|3,0,0]=4 746 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [1,0,0,0,0,0|3,0,0]=4 747 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,0,0,0,0|2,0,0]=3 748 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [1,0,0,0,0,0|3,0,0]=4 749 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,0,0,0,0,0|3,0,0]=4 750 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [1,0,0,0,0,0|3,0,0]=4 751 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [1,0,0,0,0,0|3,0,0]=4 752 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,0,0,0,0|1,0,0]=2 753 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,0,0,0,0|1,0,0]=2 754 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,0,0,0,0|1,0,0]=2 755 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,0,0,0,0|1,0,0]=2 756 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [1,0,0,0,0,0|2,0,0]=3 757 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [1,0,0,0,0,0|2,0,0]=3 758 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,0,0,0,0|2,0,0]=3 759 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [1,0,0,0,0,0|3,0,0]=4 760 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 761 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 762 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 763 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 764 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 765 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 766 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 767 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,1]=4 768 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 769 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 770 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 771 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,1]=4 772 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,1]=4 773 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,1]=4 774 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,1]=4 775 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,0,0,0,0|1,0,2]=4 776 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,0,0,0,0|1,0,2]=4 777 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,0,0,0,0|2,0,1]=4 778 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,0,0,0,0,0|2,0,1]=4 779 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,0,0,0,0|1,0,2]=4 782 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,0,0,0,0|2,0,1]=4 783 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,0,0,0,0,0|2,0,1]=4 784 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,0,0,0,0|2,0,1]=4 785 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,0,0,0,0|1,0,2]=4 786 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,0,0,0,0|1,0,2]=4 787 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,0,0,0,0,0|2,0,1]=4 788 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,0,0,0,0,0|2,0,1]=4 789 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,0,0,0,0,0|2,0,1]=4 790 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,0,0,0,0,0|2,0,1]=4 791 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,0,0,0,0,0|2,0,1]=4 792 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,0,0,0,0,0|2,0,1]=4 793 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|2,0,1]=4 794 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,1]=4 795 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,1]=4 796 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,1]=4 797 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,1]=4 798 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,1]=4 799 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,1]=4 800 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,1]=4 801 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,1]=4 802 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,1]=4 803 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|2,0,1]=4 804 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|2,0,1]=4 805 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 811 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,1]=4 812 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,1]=4 813 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,1]=3 814 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,1]=3 815 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,0,0,0,0,0|2,0,1]=4 816 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,0,0,0,0,0|2,0,1]=4 817 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,0,0,0,0|2,0,1]=4 818 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|2,0,1]=4 821 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|2,0,1]=4 823 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,0,0,0,0|2,0,1]=4 827 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,0,0,0,0|2,0,1]=4 828 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,0,0,0,0|2,0,1]=4 829 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,0,0,0,0|2,0,1]=4 830 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,3]=4 831 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,3]=4 832 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,3]=4 833 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 834 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,1]=4 835 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 836 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,1]=4 837 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 838 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 839 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 840 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 841 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 842 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 843 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 844 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 845 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 846 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 847 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 848 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 849 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 850 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,1]=4 851 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 852 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,1]=3 853 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,1]=3 854 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [1,0,0,0,0,0|3,0,0]=4 855 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|2,0,1]=4 856 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,1]=4 857 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,1]=4 858 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|2,0,1]=4 859 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|1,0,1]=3 860 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [1,0,0,0,0,0|3,0,0]=4 861 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [1,0,0,0,0,0|3,0,0]=4 862 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|2,0,1]=4 863 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|2,0,1]=4 864 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|1,0,1]=3 865 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,1]=4 866 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,1]=4 867 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|1,0,1]=3 868 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|1,0,1]=3 869 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [1,0,0,0,0,0|3,0,0]=4 870 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [1,0,0,0,0,0|3,0,0]=4 871 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|1,0,1]=3 872 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|1,0,1]=3 873 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,1]=4 874 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,1]=4 875 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,1]=3 876 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,1]=3 877 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,1]=4 878 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 879 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|2,0,1]=4 880 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 881 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,1]=3 882 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,0,0,0,0,0|3,0,0]=4 883 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 884 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|2,0,1]=4 885 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|2,0,1]=4 886 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,0,1]=3 887 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,0,1]=3 888 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 889 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 890 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,1]=4 891 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 892 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 893 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,1]=3 894 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,1]=3 895 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,1]=3 896 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 897 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,1]=4 898 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 899 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|1,0,1]=3 900 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,0,0,0,0|2,0,1]=4 901 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,0,0,0,0,0|2,0,1]=4 902 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,0,0,0,0,0|2,0,1]=4 903 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,0,0,0,0,0|2,0,1]=4 904 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,0,0,0,0,0|2,0,1]=4 905 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,1]=4 906 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,1]=4 907 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,1]=3 908 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,1]=3 909 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|2,0,1]=4 910 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|2,0,1]=4 911 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,0,0,0,0|2,0,1]=4 912 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,0,0,0,0|2,0,1]=4 913 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,0,0,0,0|2,0,1]=4 914 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,0,0,0,0|2,0,1]=4 915 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,0,0,0,0|2,0,1]=4 916 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|2,0,1]=4 917 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|2,0,1]=4 918 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,0,0,0,0|2,0,1]=4 919 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,0,0,0,0|2,0,1]=4 920 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,0,0,0,0|2,0,1]=4 921 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,0,0,0,0|2,0,1]=4 922 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,0,0,0,0|2,0,1]=4 923 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,0,0,0,0|2,0,1]=4 924 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|0,0,3]=4 925 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,0|0,0,2]=3 926 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|0,0,2]=3 927 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,0|1,0,2]=4 928 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,0|1,0,2]=4 929 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,0|1,0,2]=4 930 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,0|1,0,2]=4 931 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,0|1,0,2]=4 932 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,0|1,0,2]=4 933 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [0,1,0,0,0,0|2,0,1]=4 934 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [0,1,0,0,0,0|2,0,1]=4 935 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [0,1,0,0,0,0|2,0,0]=3 936 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [0,1,0,0,0,0|2,0,0]=3 937 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [0,1,0,0,0,0|2,0,0]=3 938 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [0,1,0,0,0,0|2,0,0]=3 939 B9R0.1 C=CC(C)COCC(F)F 34a_100011215527_100011934356 [0,1,0,0,0,0|3,0,0]=4 940 B9R0.1 C=CC(C)COCC(F)F 7a_100011215527_100011934356 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [0,1,0,0,0,0|2,0,0]=3 942 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [0,1,0,0,0,0|2,0,0]=3 943 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [0,1,0,0,0,0|2,0,1]=4 944 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,1,0,0,0,0|2,0,0]=3 945 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,1,0,0,0,0|2,0,0]=3 946 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [0,1,0,0,0,0|3,0,0]=4 947 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [0,1,0,0,0,0|2,0,0]=3 950 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [0,1,0,0,0,0|2,0,0]=3 951 B9R0.1 C=CC(C)SCCN(C)C 62a_100011215867_100000755713 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [0,1,0,0,0,0|2,0,1]=4 954 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,0,0,0,0|2,0,1]=4 955 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,1,0,0,0,0|1,0,0]=2 956 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,1,0,0,0,0|1,0,0]=2 957 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,1,0,0,0,0|1,0,0]=2 958 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,1,0,0,0,0|1,0,0]=2 959 B9R0.1 C=CC(O)CNCC(F)F 34a_100000765723_100000730141 [0,1,0,0,0,0|2,0,0]=3 960 B9R0.1 C=CC(O)COCC(=C)C 34a_100000210245_100000730141 [0,1,0,0,0,0|1,0,1]=3 961 B9R0.1 C=CC(O)COCC(=C)F 34a_200010262243_100000730141 [0,1,0,0,0,0|1,0,2]=4 962 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,1,0,0,0,0|1,0,1]=3 963 B9R0.1 C=CC(O)COCC(C)Br 34a_100012180447_100000730141 [0,1,0,0,0,0|1,0,0]=2 964 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,1,0,0,0,0|1,0,0]=2 965 B9R0.1 C=CC(O)COCC(C)F 34a_100015925927_100000730141 [0,1,0,0,0,0|1,0,0]=2 966 B9R0.1 C=CC(O)COCC(F)F 34a_100000743014_100000730141 [0,1,0,0,0,0|2,0,0]=3 967 B9R0.1 C=CC(O)COC[C@@H](C)Cl 34a_100016084084_100000730141 [0,1,0,0,0,0|1,0,0]=2 968 B9R0.1 C=CC(O)COC[C@@H](C)N 34a_100000737577_100000730141 [0,1,0,0,0,0|1,0,0]=2 969 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [0,1,0,0,0,0|1,0,1]=3 970 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [0,1,0,0,0,0|1,0,1]=3 971 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000042424_100000730141 [0,1,0,0,0,0|1,0,2]=4 972 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000730141_100000042424 [0,1,0,0,0,0|1,0,2]=4 973 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [0,1,0,0,0,0|2,0,1]=4 974 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [0,1,0,0,0,0|2,0,1]=4 975 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [0,1,0,0,0,0|2,0,1]=4 977 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [0,1,0,0,0,0|1,0,0]=2 981 B9R0.1 C=CC(O)CSCC(F)F 62a_100000730141_100011934356 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.1 C=CC(O)CSCC(F)F 62a_100011934356_100000730141 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [0,1,0,0,0,0|1,0,0]=2 984 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [0,1,0,0,0,0|1,0,0]=2 985 B9R0.1 C=CC(O)CSC[N+](=O)[O-] 62a_100000730141_100000761209 [0,1,0,0,0,0|3,0,0]=4 986 B9R0.1 C=C[C@H](N)COCC(=C)C 34a_100016989147_100000748629 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.1 C=C[C@H](N)COCC(C)C 34a_100016989147_100000210624 [0,1,0,0,0,0|2,0,0]=3 988 B9R0.1 C=C[C@H](N)COCC(C)O 34a_100016989147_100011218427 [0,1,0,0,0,0|2,0,0]=3 989 B9R0.1 C=C[C@H](N)COCC(F)F 34a_100016989147_100011934356 [0,1,0,0,0,0|3,0,0]=4 990 B9R0.1 C=C[C@H](N)COC[C@@H](C)O 34a_100016989147_100009817552 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.1 CC(Br)COC[C@@H](O)CF 34a_100012180447_100015614560 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [0,1,0,0,0,0|2,0,1]=4 994 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,1]=4 995 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 996 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 997 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,1,0,0,0,0|2,0,1]=4 1000 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,0,0,0,0|2,0,1]=4 1008 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,0,0,0,0|2,0,1]=4 1009 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,1,0,0,0,0|2,0,1]=4 1010 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [0,1,0,0,0,0|2,0,1]=4 1014 B9R0.1 CC(F)COC[C@@H](O)CF 34a_100015925927_100015614560 [0,1,0,0,0,0|2,0,1]=4 1015 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,1,0,0,0,0|2,0,1]=4 1017 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,1,0,0,0,0|2,0,1]=4 1023 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,1,0,0,0,0|2,0,1]=4 1027 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,0|1,0,2]=4 1030 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,0|1,0,2]=4 1031 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,0|1,0,2]=4 1032 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,0|1,0,2]=4 1033 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,1,0,0,0,0|1,0,2]=4 1034 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,1,0,0,0,0|1,0,2]=4 1035 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,1,0,0,0,0|1,0,2]=4 1036 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,1,0,0,0,0|1,0,2]=4 1037 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,1,0,0,0,0|1,0,2]=4 1038 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,0|1,0,2]=4 1039 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,1,0,0,0,0|1,0,2]=4 1040 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,1,0,0,0,0|1,0,2]=4 1041 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,1,0,0,0,0|1,0,2]=4 1042 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,0|1,0,2]=4 1044 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,1,0,0,0,0|1,0,2]=4 1045 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,1,0,0,0,0|1,0,2]=4 1046 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,1,0,0,0,0|1,0,2]=4 1047 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,1,0,0,0,0|1,0,2]=4 1048 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CF 34a_100016084084_100015614560 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.1 C[C@@H](N)COC[C@@H](O)CF 34a_100000737577_100015614560 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.5 C/C=C/C(C)OCCCF 34a_200102604097_100011934791 [0,1,0,0,0,0|3,0,0]=4 1067 B9R0.5 C/C=C/C(C)OCCCO 34a_200102604097_100000230001 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.5 C/C=C/C(C)OCCOC 34a_200102604097_100011201679 [0,1,0,0,0,0|3,0,0]=4 1069 B9R0.5 C/C=C/C(C)OCCSC 34a_200102604097_100000212216 [0,1,0,0,0,0|3,0,0]=4 1070 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|0,0,2]=3 1071 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|0,0,2]=3 1072 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,0,0,0,0|1,0,2]=4 1073 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|1,0,2]=4 1074 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|1,0,2]=4 1076 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|1,0,2]=4 1077 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,0,0,0,0|1,0,2]=4 1079 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,0,0,0,0|1,0,2]=4 1080 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|1,0,2]=4 1081 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|1,0,2]=4 1082 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,0,0,0,0|1,0,2]=4 1083 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,0,0,0,0|1,0,2]=4 1084 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1085 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1086 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1087 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1088 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,0,0,0,0|2,0,0]=3 1089 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,0,0,0,0|2,0,0]=3 1090 B9R0.5 C=CCC(C)COCCF 34a_100009832082_100011217306 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.5 C=CCC(C)COCCF 7a_100009832082_100011217306 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.5 C=CCC(C)COCCO 34a_100009832082_100000211926 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.5 C=CCC(C)COCCO 7a_100009832082_100000211926 [0,1,0,0,0,0|3,0,0]=4 1094 B9R0.5 C=CCC(C)COCSC 34a_100009832082_100011218213 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,1,0,0,0,0|2,0,0]=3 1096 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,1,0,0,0,0|2,0,0]=3 1097 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,1,0,0,0,0|2,0,0]=3 1098 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,1,0,0,0,0|2,0,0]=3 1099 B9R0.5 C=CCN(C)CCCCF 2230a_100000225617_100000729493 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.5 C=CCN(C)CCCCF 269982a_100000225617_100000729493 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.5 C=CCN(C)CCCCO 2230a_100000225617_100000210776 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.5 C=CCN(C)CCCCO 2230a_100000717598_100000210623 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.5 C=CCN(C)CCCCO 269982a_100000225617_100000210776 [0,1,0,0,0,0|3,0,0]=4 1104 B9R0.5 C=CCN(C)CCCCO 269982a_100000717598_100000210623 [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.5 C=CCN(C)CCCOC 2230a_100000224831_100000210623 [0,1,0,0,0,0|3,0,0]=4 1106 B9R0.5 C=CCN(C)CCCOC 2230a_100000225617_100000740836 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.5 C=CCN(C)CCCOC 269982a_100000224831_100000210623 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.5 C=CCN(C)CCCOC 269982a_100000225617_100000740836 [0,1,0,0,0,0|3,0,0]=4 1109 B9R0.5 C=CCN(C)CCOCC 2230a_100000225617_100011215890 [0,1,0,0,0,0|3,0,0]=4 1110 B9R0.5 C=CCN(C)CCOCC 269982a_100000225617_100011215890 [0,1,0,0,0,0|3,0,0]=4 1111 B9R0.5 C=CCN(C)CCSCC 2230a_100000225617_100000757381 [0,1,0,0,0,0|3,0,0]=4 1112 B9R0.5 C=CCN(C)CCSCC 269982a_100000225617_100000757381 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,0,0,0,0|2,0,0]=3 1114 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,0,0,0,0|2,0,0]=3 1115 B9R0.5 C=CC[C@@H](C)OCCCF 34a_100000731007_100011934791 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.5 C=CC[C@@H](C)OCCCF 7a_100000731007_100011934791 [0,1,0,0,0,0|3,0,0]=4 1117 B9R0.5 C=CC[C@@H](C)OCCCO 34a_100000731007_100000230001 [0,1,0,0,0,0|3,0,0]=4 1118 B9R0.5 C=CC[C@@H](C)OCCCO 7a_100000731007_100011215043 [0,1,0,0,0,0|3,0,0]=4 1119 B9R0.5 C=CC[C@@H](C)OCCOC 34a_100000731007_100011201679 [0,1,0,0,0,0|3,0,0]=4 1120 B9R0.5 C=CC[C@@H](C)OCCOC 7a_100000731007_100000233755 [0,1,0,0,0,0|3,0,0]=4 1121 B9R0.5 C=CC[C@@H](C)OCCSC 34a_100000731007_100000212216 [0,1,0,0,0,0|3,0,0]=4 1122 B9R0.5 C=CC[C@@H](C)OCCSC 7a_100000731007_100000212216 [0,1,0,0,0,0|3,0,0]=4 1123 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,1,0,0,0,0|2,0,0]=3 1124 B9R0.5 C=CC[C@@H](N)COCCF 34a_100020615467_100011217306 [0,1,0,0,0,0|3,0,0]=4 1125 B9R0.5 C=CC[C@@H](N)COCCO 34a_100020615467_100000211926 [0,1,0,0,0,0|3,0,0]=4 1126 B9R0.5 C=CC[C@@H](N)COCSC 34a_100020615467_100011218213 [0,1,0,0,0,0|3,0,0]=4 1127 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,2]=4 1128 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|1,0,2]=4 1129 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|1,0,2]=4 1130 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|0,0,2]=3 1131 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|1,0,2]=4 1132 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|1,0,2]=4 1133 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|1,0,2]=4 1134 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|1,0,2]=4 1135 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|1,0,2]=4 1136 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|1,0,2]=4 1137 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|1,0,2]=4 1138 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|1,0,2]=4 1139 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|0,0,2]=3 1140 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|0,0,2]=3 1141 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|0,0,2]=3 1142 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|1,0,2]=4 1143 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|1,0,2]=4 1144 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|1,0,2]=4 1145 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|1,0,2]=4 1146 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|1,0,2]=4 1147 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|1,0,2]=4 1148 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 1149 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 1150 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|1,0,2]=4 1151 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|1,0,2]=4 1152 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|2,0,1]=4 1153 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,0,0,0,0|1,0,2]=4 1157 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,0,0,0,0|1,0,2]=4 1158 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,0,0,0,0|1,0,2]=4 1159 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,0,0,0,0|1,0,2]=4 1160 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,0,0,0,0|1,0,2]=4 1161 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,0,0,0,0|1,0,2]=4 1162 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,0,0,0,0|1,0,2]=4 1163 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|1,0,2]=4 1164 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|1,0,2]=4 1165 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,0,0,0,0|1,0,2]=4 1166 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1167 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000001066_100000210303 [0,1,0,0,0,0|1,0,2]=4 1168 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000210303_100000001066 [0,1,0,0,0,0|1,0,2]=4 1169 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,0,0,0,0|1,0,2]=4 1170 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,0,0,0,0|1,0,2]=4 1171 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,0,0,0,0|1,0,2]=4 1172 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,0,0,0,0|1,0,2]=4 1173 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,0,0,0,0|1,0,2]=4 1174 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,0,0,0,0|1,0,2]=4 1175 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,0,0,0,0|1,0,2]=4 1177 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,0,0,0,0|1,0,2]=4 1178 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,0,0,0,0|1,0,2]=4 1179 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,0,0,0,0|1,0,2]=4 1180 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,0,0,0,0|1,0,2]=4 1181 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,0,0,0,0|1,0,2]=4 1182 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,0,0,0,0|1,0,2]=4 1183 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,0,0,0,0|1,0,2]=4 1184 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|0,0,2]=3 1185 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|1,0,2]=4 1186 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|1,0,2]=4 1187 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|1,0,1]=3 1188 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,1,0,0,0,0|2,0,1]=4 1190 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,1,0,0,0,0|2,0,1]=4 1191 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1193 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1194 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1195 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.8 C=CC(C)N(C)CCCC 269982a_100000207549_100011215867 [0,1,0,0,0,0|2,0,0]=3 1197 B9R0.8 C=CC(C)N(C)CCCO 269982a_100000213112_100011215867 [0,1,0,0,0,0|3,0,0]=4 1198 B9R0.8 C=CC(C)N(C)CCOC 269982a_100000743101_100011215867 [0,1,0,0,0,0|3,0,0]=4 1199 B9R0.8 C=CC(C)N(C)CCSC 269982a_100000686725_100011215867 [0,1,0,0,0,0|3,0,0]=4 1200 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 34a_100015455354_100000210303 [0,1,0,0,0,0|2,0,0]=3 1201 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 7a_100015455354_100000210303 [0,1,0,0,0,0|2,0,0]=3 1202 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCF 34a_100015455354_100011217306 [0,1,0,0,0,0|3,0,0]=4 1203 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCF 7a_100015455354_100011217306 [0,1,0,0,0,0|3,0,0]=4 1204 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCO 34a_100015455354_100000211926 [0,1,0,0,0,0|3,0,0]=4 1205 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCO 7a_100015455354_100000211926 [0,1,0,0,0,0|3,0,0]=4 1206 B9R0.8 C=C[C@@H](C)[C@@H](C)OCSC 34a_100015455354_100011218213 [0,1,0,0,0,0|3,0,0]=4 1207 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|0,0,3]=4 1208 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|1,0,2]=4 1209 B9R0.20 C=CC(C)(C)OCCCC 34a_100011215311_100000210210 [0,1,0,0,0,0|2,0,0]=3 1210 B9R0.20 C=CC(C)(C)OCCCC 7a_100011215311_100000210211 [0,1,0,0,0,0|2,0,0]=3 1211 B9R0.20 C=CC(C)(C)OCCCF 34a_100011215311_100011934791 [0,1,0,0,0,0|3,0,0]=4 1212 B9R0.20 C=CC(C)(C)OCCCF 7a_100011215311_100011934791 [0,1,0,0,0,0|3,0,0]=4 1213 B9R0.20 C=CC(C)(C)OCCCO 34a_100011215311_100000230001 [0,1,0,0,0,0|3,0,0]=4 1214 B9R0.20 C=CC(C)(C)OCCCO 7a_100011215311_100011215043 [0,1,0,0,0,0|3,0,0]=4 1215 B9R0.20 C=CC(C)(C)OCCOC 34a_100011215311_100011201679 [0,1,0,0,0,0|3,0,0]=4 1216 B9R0.20 C=CC(C)(C)OCCOC 7a_100011215311_100000233755 [0,1,0,0,0,0|3,0,0]=4 1217 B9R0.20 C=CC(C)(C)OCCSC 34a_100011215311_100000212216 [0,1,0,0,0,0|3,0,0]=4 1218 B9R0.20 C=CC(C)(C)OCCSC 7a_100011215311_100000212216 [0,1,0,0,0,0|3,0,0]=4 1219 B9R0.20 C=CC(F)(F)SCCCC 62a_100000210211_100009814244 [0,1,0,0,0,0|2,0,0]=3 1220 B9R0.20 C=CC(F)(F)SCCCC 62a_100009814244_100000210210 [0,1,0,0,0,0|2,0,0]=3 1221 B9R0.20 C=CC(F)(F)SCCCF 62a_100009814244_100011934791 [0,1,0,0,0,0|3,0,0]=4 1222 B9R0.20 C=CC(F)(F)SCCCF 62a_100011934791_100009814244 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.20 C=CC(F)(F)SCCCO 62a_100009814244_100011215043 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.20 C=CC(F)(F)SCCCO 62a_100011215043_100009814244 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.20 C=CC(F)(F)SCCOC 62a_100000233755_100009814244 [0,1,0,0,0,0|3,0,0]=4 1226 B9R0.20 C=CC(F)(F)SCCOC 62a_100009814244_100000233755 [0,1,0,0,0,0|3,0,0]=4 1227 B9R0.20 C=CC(F)(F)SCCSC 62a_100000212216_100009814244 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.20 C=CC(F)(F)SCCSC 62a_100009814244_100000751147 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.20 C=CC(F)(F)SCOCC 62a_100000739092_100009814244 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.20 C=CC(F)(F)SCOCC 62a_100009814244_100000739092 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.20 C=C[Si](C)(C)CSCCC 62a_100000038793_100000210303 [0,1,0,0,0,0|2,1,0]=4 1232 B9R0.20 C=C[Si](C)(C)CSCCC 62a_100000210303_100000038793 [0,1,0,0,0,0|2,1,0]=4 1233 B9R0.24 C#CC(C)NCC(O)C=C 2230a_100000707721_100000730141 [0,1,0,0,0,0|1,0,2]=4 1234 B9R0.24 C#CC(C)NCC(O)C=C 34a_100000707721_100000730141 [0,1,0,0,0,0|1,0,2]=4 1235 B9R0.24 C#CC(C)SCC(O)C=C 62a_200000035995_100000730141 [0,1,0,0,0,0|1,0,2]=4 1236 B9R0.24 C#C[C@@H](C)OCC(O)C=C 34a_100009815206_100000730141 [0,1,0,0,0,0|1,0,2]=4 1237 B9R0.24 C#C[C@@H](C)OCC(O)C=C 7a_100009815206_100000730141 [0,1,0,0,0,0|1,0,2]=4 1238 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,1,0,0,0,0|1,0,2]=4 1239 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,1,0,0,0,0|1,0,2]=4 1240 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,1,0,0,0,0|1,0,2]=4 1241 B9R0.24 C=CC(C)COC(C)CC 34a_100011215527_100011215416 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.24 C=CC(C)COC(C)CC 7a_100011215527_100000758301 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.24 C=CC(C)COC(C)CO 34a_100011215527_100012180447 [0,1,0,0,0,0|3,0,0]=4 1244 B9R0.24 C=CC(C)COC(C)CO 7a_100011215527_100012180447 [0,1,0,0,0,0|3,0,0]=4 1245 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.24 C=CC(C)OCC(O)CC 34a_100000695699_100011218378 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.24 C=CC(C)OCC(O)CO 34a_100000695699_100011219619 [0,1,0,0,0,0|3,0,0]=4 1248 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [0,1,0,0,0,0|2,0,0]=3 1249 B9R0.24 C=CC(C)OC[C@@H](C)CO 34a_100000695699_100000059175 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.24 C=CC(C)OC[C@@H](O)CF 34a_100000695699_100015614560 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.24 C=CC(C)OC[C@@H](O)CO 34a_100000695699_100009815848 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [0,1,0,0,0,0|2,0,1]=4 1253 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,1,0,0,0,0|2,0,0]=3 1254 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [0,1,0,0,0,0|2,0,0]=3 1255 B9R0.24 C=CC(C)SCC(O)CO 62a_100011215867_100011219619 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,1,0,0,0,0|2,0,0]=3 1257 B9R0.24 C=CC(C)SC[C@@H](C)CO 62a_100011215867_100000059175 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.24 C=CC(C)SC[C@@H](O)CF 62a_100011215867_100015614560 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.24 C=CC(C)SC[C@@H](O)CO 62a_100011215867_100009815848 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.24 C=CC(O)CNC(C)C#N 2230a_100000737613_100000730141 [0,1,0,0,0,0|2,0,1]=4 1261 B9R0.24 C=CC(O)CNC(C)CC 2230a_100000209981_100000730141 [0,1,0,0,0,0|1,0,0]=2 1262 B9R0.24 C=CC(O)CN[C@H](C)CO 2230a_100000737577_100000730141 [0,1,0,0,0,0|2,0,0]=3 1263 B9R0.24 C=CC(O)COC(C)C#N 34a_100011218135_100000730141 [0,1,0,0,0,0|2,0,1]=4 1264 B9R0.24 C=CC(O)COC(C)C=C 34a_100000695699_100000730141 [0,1,0,0,0,0|1,0,2]=4 1265 B9R0.24 C=CC(O)COC(C)CC 7a_100000210228_100000730141 [0,1,0,0,0,0|1,0,0]=2 1266 B9R0.24 C=CC(O)COC(C)CF 34a_100016041109_100000730141 [0,1,0,0,0,0|2,0,0]=3 1267 B9R0.24 C=CC(O)COC(C)CF 7a_100016041109_100000730141 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.24 C=CC(O)COC(C)CN 34a_100000210904_100000730141 [0,1,0,0,0,0|2,0,0]=3 1269 B9R0.24 C=CC(O)CSC(C)C#N 62a_100000703298_100000730141 [0,1,0,0,0,0|2,0,1]=4 1270 B9R0.24 C=CC(O)CSC(C)C#N 62a_100000730141_100000703298 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.24 C=CC(O)CSC(C)C=C 62a_100011215867_100000730141 [0,1,0,0,0,0|1,0,2]=4 1272 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,1,0,0,0,0|1,0,0]=2 1273 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,1,0,0,0,0|1,0,0]=2 1274 B9R0.24 C=CC(O)CSC(C)CO 62a_100012180447_100000730141 [0,1,0,0,0,0|2,0,0]=3 1275 B9R0.24 C=CC(O)CSC(C)OC 62a_100000730141_100009879195 [0,1,0,0,0,0|2,0,0]=3 1276 B9R0.24 C=CC(O)CSC(C)OC 62a_100009879195_100000730141 [0,1,0,0,0,0|2,0,0]=3 1277 B9R0.24 C=CC(O)CSC(F)C#N 62a_100000730141_200000117898 [0,1,0,0,0,0|2,0,1]=4 1278 B9R0.24 C=CC(O)CSC(F)C#N 62a_200000117898_100000730141 [0,1,0,0,0,0|2,0,1]=4 1279 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100000730141_100016084084 [0,1,0,0,0,0|2,0,0]=3 1280 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100016084084_100000730141 [0,1,0,0,0,0|2,0,0]=3 1281 B9R0.24 C=C[C@H](N)COC(C)CC 34a_100016989147_100011215416 [0,1,0,0,0,0|2,0,0]=3 1282 B9R0.24 C=C[C@H](N)COC(C)CO 34a_100016989147_100012180447 [0,1,0,0,0,0|3,0,0]=4 1283 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,0,0,0,0|2,0,1]=4 1284 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,0,0,0,0|2,0,1]=4 1285 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,1,0,0,0,0|2,0,1]=4 1286 B9R0.24 CCC(C)NC[C@@H](O)CF 2230a_100000209981_100015614560 [0,1,0,0,0,0|2,0,1]=4 1287 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,1,0,0,0,0|2,0,1]=4 1288 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,1,0,0,0,0|2,0,1]=4 1289 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,1,0,0,0,0|2,0,1]=4 1290 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [0,1,0,0,0,0|2,0,1]=4 1291 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,1,0,0,0,0|2,0,1]=4 1292 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,1,0,0,0,0|2,0,1]=4 1293 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,1,0,0,0,0|2,0,1]=4 1294 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [0,1,0,0,0,0|2,0,1]=4 1295 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [0,1,0,0,0,0|2,0,1]=4 1296 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,1,0,0,0,0|2,0,1]=4 1297 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,1,0,0,0,0|2,0,1]=4 1298 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,1,0,0,0,0|1,0,2]=4 1299 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,1,0,0,0,0|1,0,2]=4 1300 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,1,0,0,0,0|1,0,2]=4 1301 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,1,0,0,0,0|1,0,2]=4 1302 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,1,0,0,0,0|1,0,2]=4 1303 B9R0.34 C#CCN(C)CC(O)C=C 2230a_100000225692_100000730141 [0,1,0,0,0,0|1,0,2]=4 1304 B9R0.34 C#CCN(C)CC(O)C=C 34a_100000225692_100000730141 [0,1,0,0,0,0|1,0,2]=4 1305 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,0|0,0,3]=4 1306 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,0,0,0,0|0,0,2]=3 1307 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,1,0,0,0,0|1,0,2]=4 1308 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,1,0,0,0,0|1,0,2]=4 1309 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|1,0,1]=3 1310 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,1,0,0,0,0|2,0,1]=4 1311 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,1,0,0,0,0|2,0,1]=4 1312 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1313 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1314 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1315 B9R0.34 C=CC(C)OC(C)CCC 34a_100000695699_100000766640 [0,1,0,0,0,0|2,0,0]=3 1316 B9R0.34 C=CC(C)OC(C)CCO 34a_100000695699_100009893172 [0,1,0,0,0,0|3,0,0]=4 1317 B9R0.34 C=CC(C)OC(C)COC 34a_100000695699_100000765312 [0,1,0,0,0,0|3,0,0]=4 1318 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [0,1,0,0,0,0|2,0,0]=3 1319 B9R0.34 C=CC(C)SC(C)CCO 62a_100011215867_100009893172 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.34 C=CC(C)SC(C)COC 62a_100011215867_100000765312 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.34 C=CC(O)CN(C)CC#N 2230a_100000748184_100000730141 [0,1,0,0,0,0|2,0,1]=4 1322 B9R0.34 C=CC(O)CN(C)CCC 2230a_100000747261_100000730141 [0,1,0,0,0,0|1,0,0]=2 1323 B9R0.34 C=CC(O)CN(C)CCO 2230a_100000210263_100000730141 [0,1,0,0,0,0|2,0,0]=3 1324 B9R0.34 C=CCN(C)CC(O)C=C 2230a_100000225617_100000730141 [0,1,0,0,0,0|1,0,2]=4 1325 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|0,0,3]=4 1326 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|0,0,3]=4 1327 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,1,0,0,0,0|1,0,2]=4 1328 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,1,0,0,0,0|1,0,2]=4 1329 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [0,1,0,0,0,0|2,0,1]=4 1330 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [0,1,0,0,0,0|2,0,1]=4 1331 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.34 CCCN(C)C[C@@H](O)CF 2230a_100000747261_100015614560 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [0,1,0,0,0,0|2,0,1]=4 1336 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [0,1,0,0,0,0|2,0,1]=4 1337 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [0,1,0,0,0,0|2,0,1]=4 1338 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,1,0,0,0,0|1,0,2]=4 1339 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,1,0,0,0,0|1,0,2]=4 1341 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,1,0,0,0,0|1,0,2]=4 1342 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,1,0,0,0,0|0,0,3]=4 1343 B9R0.46 C#CCCCOC(C)C=C 34a_100000695699_100000695029 [0,1,0,0,0,0|1,0,2]=4 1344 B9R0.46 C#CCCCSC(C)C=C 62a_100011215867_100011215417 [0,1,0,0,0,0|1,0,2]=4 1345 B9R0.46 C#CCCNCC(O)C=C 34a_100000755551_100000730141 [0,1,0,0,0,0|0,0,2]=3 1346 B9R0.46 C#CCCOCC(C)C=C 34a_100011215527_100000688953 [0,1,0,0,0,0|1,0,2]=4 1347 B9R0.46 C#CCCOCC(C)C=C 7a_100011215527_100000688953 [0,1,0,0,0,0|1,0,2]=4 1348 B9R0.46 C#CCCOCC(O)C=C 34a_100011215631_100000730141 [0,1,0,0,0,0|0,0,2]=3 1349 B9R0.46 C#CCCOC[C@@H](N)C=C 34a_100016989147_100000688953 [0,1,0,0,0,0|1,0,2]=4 1350 B9R0.46 C#CCCSCC(O)C=C 62a_100000688953_100000730141 [0,1,0,0,0,0|0,0,2]=3 1351 B9R0.46 C#CCCSCC(O)C=C 62a_100000730141_100000688953 [0,1,0,0,0,0|0,0,2]=3 1352 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,1,0,0,0,0|1,0,2]=4 1353 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,1,0,0,0,0|1,0,2]=4 1354 B9R0.46 C=CC(=NNCCCC)C 4a_100025702795_200015361842 [0,1,0,0,0,0|2,0,1]=4 1355 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,1,0,0,0,0|0,0,3]=4 1356 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,1,0,0,0,0|0,0,3]=4 1357 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|0,0,2]=3 1358 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|0,0,2]=3 1359 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|0,0,2]=3 1360 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|0,0,2]=3 1361 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|0,0,2]=3 1362 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|0,0,2]=3 1363 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,0,0,0,0|1,0,2]=4 1364 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|0,0,2]=3 1365 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|0,0,2]=3 1366 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|0,0,2]=3 1367 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,1,0,0,0,0|1,0,2]=4 1368 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|1,0,2]=4 1369 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|1,0,2]=4 1370 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|1,0,2]=4 1371 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|1,0,2]=4 1372 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,1,0,0,0,0|1,0,2]=4 1373 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,0,0,0,0|1,0,2]=4 1374 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,0,0,0,0|1,0,2]=4 1375 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,0,0,0,0|1,0,2]=4 1376 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,0,0,0,0|1,0,2]=4 1377 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,0,0,0,0|1,0,2]=4 1378 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,0,0,0,0|1,0,2]=4 1379 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,0,0,0,0|1,0,2]=4 1380 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,0,0,0,0|1,0,2]=4 1381 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|1,0,2]=4 1382 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|1,0,2]=4 1383 B9R0.46 C=CC(C)COC/C=C/C 34a_100011215527_100102629194 [0,1,0,0,0,0|1,0,2]=4 1384 B9R0.46 C=CC(C)COC/C=C/C 7a_100011215527_100102629194 [0,1,0,0,0,0|1,0,2]=4 1385 B9R0.46 C=CC(C)COCC#CC 34a_100011215527_100000748600 [0,1,0,0,0,0|1,0,2]=4 1386 B9R0.46 C=CC(C)COCC#CC 7a_100011215527_100000748600 [0,1,0,0,0,0|1,0,2]=4 1387 B9R0.46 C=CC(C)COCC=CC 34a_100011215527_100000070051 [0,1,0,0,0,0|1,0,2]=4 1388 B9R0.46 C=CC(C)COCC=CC 7a_100011215527_100000070051 [0,1,0,0,0,0|1,0,2]=4 1389 B9R0.46 C=CC(C)COCCC#N 7a_100011215527_100000184422 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|1,0,0]=2 1391 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|1,0,0]=2 1392 B9R0.46 C=CC(C)COCCCF 34a_100011215527_100011934791 [0,1,0,0,0,0|2,0,0]=3 1393 B9R0.46 C=CC(C)COCCCF 7a_100011215527_100011934791 [0,1,0,0,0,0|2,0,0]=3 1394 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [0,1,0,0,0,0|2,0,0]=3 1395 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [0,1,0,0,0,0|2,0,0]=3 1396 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [0,1,0,0,0,0|2,0,0]=3 1397 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [0,1,0,0,0,0|2,0,0]=3 1398 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [0,1,0,0,0,0|2,0,0]=3 1399 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [0,1,0,0,0,0|2,0,0]=3 1400 B9R0.46 C=CC(C)OC/C=C\CC 34a_100000695699_100103147603 [0,1,0,0,0,0|1,0,2]=4 1401 B9R0.46 C=CC(C)OCC#CCC 34a_100000695699_100009813939 [0,1,0,0,0,0|1,0,2]=4 1402 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|1,0,0]=2 1403 B9R0.46 C=CC(C)OCCCCF 34a_100000695699_100000729493 [0,1,0,0,0,0|2,0,0]=3 1404 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [0,1,0,0,0,0|2,0,0]=3 1405 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [0,1,0,0,0,0|2,0,0]=3 1406 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [0,1,0,0,0,0|2,0,0]=3 1407 B9R0.46 C=CC(C)OCCSCC 34a_100000695699_100000757381 [0,1,0,0,0,0|2,0,0]=3 1408 B9R0.46 C=CC(C)SC/C=C\CC 62a_100011215867_100103147603 [0,1,0,0,0,0|1,0,2]=4 1409 B9R0.46 C=CC(C)SCC#CCC 62a_100011215867_100009813939 [0,1,0,0,0,0|1,0,2]=4 1410 B9R0.46 C=CC(C)SCCCC#N 62a_100011215867_100000687738 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|1,0,0]=2 1413 B9R0.46 C=CC(C)SCCCCF 62a_100011215867_100000729493 [0,1,0,0,0,0|2,0,0]=3 1414 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [0,1,0,0,0,0|2,0,0]=3 1415 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [0,1,0,0,0,0|2,0,0]=3 1416 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [0,1,0,0,0,0|2,0,0]=3 1417 B9R0.46 C=CC(C)SCCSCC 62a_100011215867_100000757381 [0,1,0,0,0,0|2,0,0]=3 1418 B9R0.46 C=CC(O)CNCC#CC 2230a_100000685387_100000730141 [0,1,0,0,0,0|0,0,2]=3 1419 B9R0.46 C=CC(O)CNCC#CC 34a_100000685387_100000730141 [0,1,0,0,0,0|0,0,2]=3 1420 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|0,0,0]=1 1421 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|0,0,0]=1 1422 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,1,0,0,0,0|1,0,0]=2 1423 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,1,0,0,0,0|1,0,0]=2 1424 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,1,0,0,0,0|1,0,0]=2 1425 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,1,0,0,0,0|1,0,0]=2 1426 B9R0.46 C=CC(O)COC/C=C/C 34a_100016270725_100000730141 [0,1,0,0,0,0|0,0,2]=3 1427 B9R0.46 C=CC(O)COCC#CC 34a_100000761923_100000730141 [0,1,0,0,0,0|0,0,2]=3 1428 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,1,0,0,0,0|1,0,0]=2 1429 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|0,0,0]=1 1430 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|0,0,0]=1 1431 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,1,0,0,0,0|1,0,0]=2 1432 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,1,0,0,0,0|1,0,0]=2 1433 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,1,0,0,0,0|1,0,0]=2 1434 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,1,0,0,0,0|1,0,0]=2 1435 B9R0.46 C=CC(O)COCCON 34a_100000700252_100000730141 [0,1,0,0,0,0|2,0,0]=3 1436 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,1,0,0,0,0|1,0,0]=2 1437 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,1,0,0,0,0|1,0,0]=2 1438 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [0,1,0,0,0,0|0,0,2]=3 1439 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [0,1,0,0,0,0|0,0,2]=3 1440 B9R0.46 C=CC(O)CSCC#CC 62a_100000730141_100000748600 [0,1,0,0,0,0|0,0,2]=3 1441 B9R0.46 C=CC(O)CSCC#CC 62a_100000748600_100000730141 [0,1,0,0,0,0|0,0,2]=3 1442 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [0,1,0,0,0,0|0,0,2]=3 1443 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [0,1,0,0,0,0|0,0,2]=3 1444 B9R0.46 C=CC(O)CSCCC#N 62a_100000730141_100011215226 [0,1,0,0,0,0|1,0,1]=3 1445 B9R0.46 C=CC(O)CSCCC#N 62a_100011215226_100000730141 [0,1,0,0,0,0|1,0,1]=3 1446 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|0,0,0]=1 1447 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|0,0,0]=1 1448 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,1,0,0,0,0|1,0,0]=2 1449 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,1,0,0,0,0|1,0,0]=2 1450 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,1,0,0,0,0|1,0,0]=2 1451 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,1,0,0,0,0|1,0,0]=2 1452 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,1,0,0,0,0|1,0,0]=2 1453 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,1,0,0,0,0|1,0,0]=2 1454 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,1,0,0,0,0|1,0,0]=2 1455 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,1,0,0,0,0|1,0,0]=2 1456 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,1,0,0,0,0|1,0,0]=2 1457 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,1,0,0,0,0|1,0,0]=2 1458 B9R0.46 C=CC(O)CSCSC#N 62a_100000211825_100000730141 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.46 C=CC(O)CSCSC#N 62a_100000730141_100000211825 [0,1,0,0,0,0|2,0,1]=4 1460 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|0,0,3]=4 1461 B9R0.46 C=CCCCOC(C)C=C 34a_100000695699_100000757094 [0,1,0,0,0,0|1,0,2]=4 1462 B9R0.46 C=CCCCSC(C)C=C 62a_100011215867_100000757094 [0,1,0,0,0,0|1,0,2]=4 1463 B9R0.46 C=CCCNCC(O)C=C 2230a_100015191253_100000730141 [0,1,0,0,0,0|0,0,2]=3 1464 B9R0.46 C=CCCOCC(C)C=C 34a_100011215527_100000754431 [0,1,0,0,0,0|1,0,2]=4 1465 B9R0.46 C=CCCOCC(C)C=C 7a_100011215527_100000754431 [0,1,0,0,0,0|1,0,2]=4 1466 B9R0.46 C=CCCOCC(O)C=C 34a_100011205117_100000730141 [0,1,0,0,0,0|0,0,2]=3 1467 B9R0.46 C=CCCOC[C@@H](N)C=C 34a_100016989147_100000754431 [0,1,0,0,0,0|1,0,2]=4 1468 B9R0.46 C=CCCSCC(O)C=C 62a_100000730141_100000754431 [0,1,0,0,0,0|0,0,2]=3 1469 B9R0.46 C=CCCSCC(O)C=C 62a_100000754431_100000730141 [0,1,0,0,0,0|0,0,2]=3 1470 B9R0.46 C=C[C@H](N)COC/C=C/C 34a_100016989147_100102629194 [0,1,0,0,0,0|1,0,2]=4 1471 B9R0.46 C=C[C@H](N)COCC#CC 34a_100016989147_100000748600 [0,1,0,0,0,0|1,0,2]=4 1472 B9R0.46 C=C[C@H](N)COCC=CC 34a_100016989147_100000070051 [0,1,0,0,0,0|1,0,2]=4 1473 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|1,0,0]=2 1474 B9R0.46 C=C[C@H](N)COCCCF 34a_100016989147_100011934791 [0,1,0,0,0,0|2,0,0]=3 1475 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [0,1,0,0,0,0|2,0,0]=3 1476 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [0,1,0,0,0,0|2,0,0]=3 1478 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,1,0,0,0,0|1,0,2]=4 1479 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,1,0,0,0,0|1,0,2]=4 1480 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,1,0,0,0,0|1,0,2]=4 1481 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,0,0,0,0|1,0,2]=4 1482 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,0,0,0,0|1,0,2]=4 1483 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,0,0,0,0|1,0,2]=4 1484 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|1,0,2]=4 1485 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|1,0,2]=4 1486 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,0,0,0,0|1,0,2]=4 1487 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,0,0,0,0|1,0,2]=4 1488 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,0,0,0,0|1,0,2]=4 1489 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|1,0,2]=4 1490 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,0,0,0,0|1,0,2]=4 1491 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|1,0,2]=4 1492 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|1,0,2]=4 1493 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,1,0,0,0,0|1,0,2]=4 1494 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,1,0,0,0,0|1,0,2]=4 1495 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,0,0,0,0|1,0,2]=4 1496 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,0,0,0,0|1,0,2]=4 1497 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,0,0,0,0|1,0,2]=4 1498 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,0,0,0,0|1,0,2]=4 1499 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|1,0,2]=4 1500 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|1,0,2]=4 1501 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 1502 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 1503 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|2,0,1]=4 1504 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 1505 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|2,0,1]=4 1506 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 1507 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 1508 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 1509 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 1510 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,1]=4 1511 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 1512 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 1513 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 1514 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|2,0,1]=4 1515 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|2,0,1]=4 1516 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|2,0,1]=4 1517 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|2,0,1]=4 1518 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,1,0,0,0,0|2,0,1]=4 1519 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,1,0,0,0,0|2,0,1]=4 1520 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|1,0,2]=4 1521 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|1,0,2]=4 1522 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|2,0,1]=4 1523 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|2,0,1]=4 1524 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,1,0,0,0,0|2,0,1]=4 1525 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,1,0,0,0,0|2,0,1]=4 1526 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|1,0,2]=4 1527 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|1,0,2]=4 1528 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|1,0,2]=4 1529 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,1]=4 1531 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,1]=4 1532 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|2,0,1]=4 1534 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,1,0,0,0,0|2,0,1]=4 1535 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,1,0,0,0,0|2,0,1]=4 1536 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|1,0,2]=4 1537 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|1,0,2]=4 1538 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|2,0,1]=4 1539 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|2,0,1]=4 1540 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|2,0,1]=4 1541 B9R0.46 CCCCCSC(F)C#N 62a_100000210326_200000117898 [0,1,0,0,0,0|2,0,1]=4 1542 B9R0.46 CCCCCSC(F)C#N 62a_200000117898_100000210326 [0,1,0,0,0,0|2,0,1]=4 1543 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|2,0,1]=4 1544 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|2,0,1]=4 1545 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|1,0,2]=4 1546 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|1,0,2]=4 1547 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|1,0,2]=4 1548 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|1,0,2]=4 1549 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,1]=4 1550 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|0,0,2]=3 1551 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|0,0,2]=3 1552 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|0,0,2]=3 1553 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,1]=3 1554 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,1]=3 1555 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|1,0,2]=4 1556 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|1,0,2]=4 1557 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|2,0,1]=4 1559 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|2,0,1]=4 1560 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 1561 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|1,0,1]=3 1562 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|1,0,1]=3 1563 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,1]=3 1564 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,1]=3 1565 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,1]=3 1566 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|1,0,2]=4 1567 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|1,0,2]=4 1568 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,1]=4 1569 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|2,0,1]=4 1570 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 1571 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 1572 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 1573 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 1574 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|2,0,1]=4 1575 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|0,0,2]=3 1576 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|0,0,2]=3 1577 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,1]=3 1578 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,1]=3 1579 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|1,0,2]=4 1580 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|1,0,2]=4 1581 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|1,0,2]=4 1582 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|2,0,1]=4 1584 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|1,0,1]=3 1585 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|1,0,1]=3 1586 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,1]=3 1587 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,1]=3 1588 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 1589 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|1,0,2]=4 1590 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|1,0,2]=4 1591 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|0,0,2]=3 1592 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|0,0,2]=3 1593 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,1]=3 1594 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,1]=3 1595 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|1,0,2]=4 1596 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|1,0,2]=4 1597 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|2,0,1]=4 1598 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|2,0,1]=4 1599 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|1,0,1]=3 1600 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|1,0,1]=3 1601 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,1]=3 1602 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,1]=3 1603 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|1,0,2]=4 1604 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|1,0,2]=4 1607 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|2,0,1]=4 1608 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|1,0,2]=4 1609 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,1]=4 1610 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,1,0,0,0,0|1,0,2]=4 1611 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,1,0,0,0,0|1,0,2]=4 1612 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,1,0,0,0,0|2,0,1]=4 1643 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [0,1,0,0,0,0|2,0,1]=4 1644 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [0,1,0,0,0,0|2,0,1]=4 1645 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,1,0,0,0,0|2,0,1]=4 1646 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,1,0,0,0,0|2,0,1]=4 1647 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,1,0,0,0,0|2,0,1]=4 1649 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,1,0,0,0,0|2,0,1]=4 1650 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,1,0,0,0,0|2,0,1]=4 1651 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,1,0,0,0,0|2,0,1]=4 1654 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,1,0,0,0,0|2,0,1]=4 1655 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,1,0,0,0,0|2,0,1]=4 1656 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,1,0,0,0,0|2,0,1]=4 1657 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,1,0,0,0,0|2,0,1]=4 1658 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,1,0,0,0,0|2,0,1]=4 1659 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,1,0,0,0,0|2,0,1]=4 1660 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,1,0,0,0,0|2,0,1]=4 1661 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,1,0,0,0,0|2,0,1]=4 1662 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,1,0,0,0,0|2,0,1]=4 1663 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,1,0,0,0,0|2,0,1]=4 1664 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,1,0,0,0,0|2,0,1]=4 1665 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,1,0,0,0,0|2,0,1]=4 1666 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,1,0,0,0,0|2,0,1]=4 1667 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,1,0,0,0,0|2,0,1]=4 1668 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,1,0,0,0,0|2,0,1]=4 1669 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,1,0,0,0,0|2,0,1]=4 1671 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,1,0,0,0,0|2,0,1]=4 1672 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,1,0,0,0,0|2,0,1]=4 1674 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,1,0,0,0,0|2,0,1]=4 1675 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,1,0,0,0,0|2,0,1]=4 1676 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,1,0,0,0,0|2,0,1]=4 1677 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,1,0,0,0,0|2,0,1]=4 1678 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,1,0,0,0,0|2,0,1]=4 1679 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|1,0,2]=4 1680 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|1,0,2]=4 1681 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|0,0,2]=3 1682 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|1,0,2]=4 1683 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|1,0,2]=4 1684 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|1,0,2]=4 1685 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|1,0,2]=4 1686 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|1,0,2]=4 1687 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|1,0,2]=4 1688 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|1,0,2]=4 1689 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,0]=3 1690 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [0,1,0,0,0,0|3,0,0]=4 1691 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,1,0,0,0,0|3,0,0]=4 1692 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [0,1,0,0,0,0|3,0,0]=4 1693 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,1,0,0,0,0|3,0,0]=4 1694 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|1,0,2]=4 1695 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|1,0,2]=4 1696 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|1,0,2]=4 1697 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|1,0,2]=4 1698 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,1]=3 1699 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,1]=3 1700 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,1]=3 1701 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|2,0,1]=4 1709 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|2,0,1]=4 1710 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|3,0,0]=4 1711 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|3,0,0]=4 1712 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|3,0,0]=4 1713 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|3,0,0]=4 1714 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|3,0,0]=4 1715 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|3,0,0]=4 1716 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|3,0,0]=4 1717 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|2,0,1]=4 1718 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|3,0,0]=4 1720 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|3,0,0]=4 1721 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|3,0,0]=4 1722 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|3,0,0]=4 1723 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|3,0,0]=4 1724 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|3,0,0]=4 1725 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|3,0,0]=4 1726 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|3,0,0]=4 1727 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|3,0,0]=4 1731 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|3,0,0]=4 1732 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|3,0,0]=4 1734 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|3,0,0]=4 1735 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|3,0,0]=4 1736 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|3,0,0]=4 1737 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|3,0,0]=4 1738 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|3,0,0]=4 1739 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,0,0,0,0|1,0,2]=4 1740 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,0,0,0,0|1,0,2]=4 1741 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|2,0,1]=4 1742 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|2,0,1]=4 1743 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|3,0,0]=4 1744 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,1,0,0,0,0|0,0,2]=3 1745 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,1,0,0,0,0|0,0,2]=3 1746 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,1,0,0,0,0|0,0,2]=3 1747 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,1,0,0,0,0|0,0,2]=3 1748 B9R0.50 C#CCCN[C@@H](C=C)CO 2230a_100016989147_100000688953 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.50 C#CCCN[C@@H](C=C)CO 34a_100016989147_100000688953 [0,1,0,0,0,0|1,0,2]=4 1750 B9R0.50 C=CC(C=C)OCCCC 34a_100000033096_100000210210 [0,1,0,0,0,0|2,0,0]=3 1751 B9R0.50 C=CC(C=C)OCCCF 34a_100000033096_100011934791 [0,1,0,0,0,0|3,0,0]=4 1752 B9R0.50 C=CC(C=C)OCCCO 34a_100000033096_100000230001 [0,1,0,0,0,0|3,0,0]=4 1753 B9R0.50 C=CC(C=C)OCCOC 34a_100000033096_100011201679 [0,1,0,0,0,0|3,0,0]=4 1754 B9R0.50 C=CC(C=C)OCCSC 34a_100000033096_100000212216 [0,1,0,0,0,0|3,0,0]=4 1755 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,1,0,0,0,0|2,0,0]=3 1756 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,1,0,0,0,0|2,0,0]=3 1757 B9R0.50 C=CC(CC)OCCCF 34a_100000766422_100011934791 [0,1,0,0,0,0|3,0,0]=4 1758 B9R0.50 C=CC(CC)OCCCF 7a_100000766422_100011934791 [0,1,0,0,0,0|3,0,0]=4 1759 B9R0.50 C=CC(CC)OCCCO 34a_100000766422_100000230001 [0,1,0,0,0,0|3,0,0]=4 1760 B9R0.50 C=CC(CC)OCCCO 7a_100000766422_100011215043 [0,1,0,0,0,0|3,0,0]=4 1761 B9R0.50 C=CC(CC)OCCOC 34a_100000766422_100011201679 [0,1,0,0,0,0|3,0,0]=4 1762 B9R0.50 C=CC(CC)OCCOC 7a_100000766422_100000233755 [0,1,0,0,0,0|3,0,0]=4 1763 B9R0.50 C=CC(CC)OCCSC 34a_100000766422_100000212216 [0,1,0,0,0,0|3,0,0]=4 1764 B9R0.50 C=CC(CC)OCCSC 7a_100000766422_100000212216 [0,1,0,0,0,0|3,0,0]=4 1765 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,1,0,0,0,0|0,0,0]=1 1766 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,1,0,0,0,0|0,0,0]=1 1767 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,1,0,0,0,0|0,0,0]=1 1768 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,1,0,0,0,0|0,0,0]=1 1769 B9R0.50 C=CCCN[C@@H](C=C)CO 2230a_100016989147_100000754431 [0,1,0,0,0,0|1,0,2]=4 1770 B9R0.50 C=CCCN[C@@H](C=C)CO 34a_100016989147_100000754431 [0,1,0,0,0,0|1,0,2]=4 1771 B9R0.50 C=C[C@@H](CO)NC/C=C/C 34a_100016989147_100102629194 [0,1,0,0,0,0|1,0,2]=4 1772 B9R0.50 C=C[C@@H](CO)NCC#CC 2230a_100016989147_100000748600 [0,1,0,0,0,0|1,0,2]=4 1773 B9R0.50 C=C[C@@H](CO)NCC#CC 34a_100016989147_100000748600 [0,1,0,0,0,0|1,0,2]=4 1774 B9R0.50 C=C[C@@H](CO)NCC=CC 2230a_100016989147_100000070051 [0,1,0,0,0,0|1,0,2]=4 1775 B9R0.50 C=C[C@@H](CO)NCC=CC 34a_100016989147_100000070051 [0,1,0,0,0,0|1,0,2]=4 1776 B9R0.50 C=C[C@@H](CO)NCCC#N 2230a_100016989147_100011215226 [0,1,0,0,0,0|2,0,1]=4 1777 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [0,1,0,0,0,0|1,0,0]=2 1778 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|1,0,0]=2 1779 B9R0.50 C=C[C@@H](CO)NCCCF 2230a_100016989147_100011934791 [0,1,0,0,0,0|2,0,0]=3 1780 B9R0.50 C=C[C@@H](CO)NCCCF 34a_100016989147_100011934791 [0,1,0,0,0,0|2,0,0]=3 1781 B9R0.50 C=C[C@@H](CO)NCCCO 2230a_100016989147_100000230001 [0,1,0,0,0,0|2,0,0]=3 1782 B9R0.50 C=C[C@@H](CO)NCCCO 34a_100016989147_100000230001 [0,1,0,0,0,0|2,0,0]=3 1783 B9R0.50 C=C[C@@H](CO)NCCOC 2230a_100016989147_100011201679 [0,1,0,0,0,0|2,0,0]=3 1784 B9R0.50 C=C[C@@H](CO)NCCOC 34a_100016989147_100011201679 [0,1,0,0,0,0|2,0,0]=3 1785 B9R0.50 C=C[C@@H](CO)NCCSC 2230a_100016989147_100000751147 [0,1,0,0,0,0|2,0,0]=3 1786 B9R0.50 C=C[C@@H](CO)NCCSC 34a_100016989147_100000212216 [0,1,0,0,0,0|2,0,0]=3 1787 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,1,0,0,0,0|1,0,2]=4 1788 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,1,0,0,0,0|0,0,2]=3 1789 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,1,0,0,0,0|0,0,2]=3 1790 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,1,0,0,0,0|0,0,2]=3 1791 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,1,0,0,0,0|0,0,2]=3 1792 B9R0.50 CCCCNC(C=O)C=O 2230a_100000102301_100000736813 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [0,1,0,0,0,0|1,0,2]=4 1795 B9R0.50 CCCCOC(C=O)C=O 34a_100000210227_100000736813 [0,1,0,0,0,0|2,0,1]=4 1796 B9R0.50 CCCCSC(C=O)C=O 62a_100000210211_100000736813 [0,1,0,0,0,0|2,0,1]=4 1797 B9R0.50 CCCCSC(C=O)C=O 62a_100000736813_100000210210 [0,1,0,0,0,0|2,0,1]=4 1798 B9R0.50 CCCNCC(OC)OC 270004a_100020643023_100000752162 [0,1,0,0,0,0|2,0,1]=4 1799 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,1,0,0,0,0|1,0,2]=4 1800 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,1,0,0,0,0|1,0,2]=4 1801 B9R0.50 CCCOCC(OC)OC 34a_100000210258_100000211822 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.50 CCCOCC(OC)OC 34a_100011216393_100000210303 [0,1,0,0,0,0|2,0,1]=4 1803 B9R0.50 CCCSCC(OC)OC 62a_100000210303_100000751394 [0,1,0,0,0,0|2,0,1]=4 1804 B9R0.50 CCCSCC(OC)OC 62a_100000751394_100000210303 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.50 CCNCCC(OC)OC 2230a_100015525214_100009813347 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.50 CCSCCC(OC)OC 62a_100000139399_100000210202 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.50 CCSCCC(OC)OC 62a_100000210202_100000139399 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.50 CNCCCC(OC)OC 2230a_106832991635_100000069011 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.50 CNCCCC(OC)OC 34a_100102657272_100000069011 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.50 CNCCCC(OC)OC 7a_106832991635_100000069011 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.50 COC(CCCSC)OC 62a_100000069011_200000210301 [0,1,0,0,0,0|2,0,1]=4 1813 B9R0.50 COC(CCCSC)OC 62a_200000210301_100000069011 [0,1,0,0,0,0|2,0,1]=4 1814 B9R0.50 COC(CCCS[13CH3])OC 62a_100000069011_200025704644 [0,1,0,0,0,0|2,0,1]=4 1815 B9R0.50 COC(CCCS[13CH3])OC 62a_200025704644_100000069011 [0,1,0,0,0,0|2,0,1]=4 1816 B9R0.50 COCCCC(OC)OC 34a_100138415774_100000069011 [0,1,0,0,0,0|2,0,1]=4 1817 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,0,0,1,0,0|1,0,2]=4 1818 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,0,0,1,0,0|1,0,2]=4 1819 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,0,0,1,0,0|1,0,2]=4 1820 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 1821 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 1822 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|2,0,1]=4 1823 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 1824 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,0,0,1,0,0|2,0,1]=4 1825 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 1826 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|2,0,1]=4 1827 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 1828 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 1829 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 1830 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 1831 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 1832 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 1833 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,1,0,0|1,0,2]=4 1834 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,1,0,0|1,0,2]=4 1835 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,0,0,1,0,0|1,0,2]=4 1836 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [0,0,0,1,0,0|2,0,1]=4 1837 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,1,0,0|1,0,2]=4 1838 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,1,0,0|1,0,2]=4 1839 B9R1.7 COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200000210301 [0,0,0,1,0,0|2,0,0]=3 1840 B9R1.7 [13CH3]OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200025704644 [0,0,0,1,0,0|2,0,0]=3 1841 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,0,0,1,0,0|0,0,2]=3 1842 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,0,0,1,0,0|1,0,2]=4 1843 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,0,0,1,0,0|1,0,2]=4 1844 B9R1.11 C=CC(C)N1CCCC1 269982a_100000188435_100011215867 [0,0,0,1,0,0|2,0,0]=3 1845 B9R1.11 C=CC(C)N1CCSC1 269982a_100011215254_100011215867 [0,0,0,1,0,0|3,0,0]=4 1846 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [0,0,0,1,0,0|2,0,1]=4 1847 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [0,0,0,1,0,0|2,0,1]=4 1848 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,0,0,1,0,0|2,0,1]=4 1849 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,0,0,1,0,0|2,0,1]=4 1850 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [0,0,0,1,0,0|2,0,1]=4 1851 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [0,0,0,1,0,0|2,0,1]=4 1852 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [0,0,0,1,0,0|2,0,1]=4 1853 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [0,0,0,1,0,0|2,0,1]=4 1854 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,0,0,1,0,0|2,0,1]=4 1855 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,0,0,1,0,0|2,0,1]=4 1856 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 1857 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 1858 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|1,0,2]=4 1859 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|1,0,2]=4 1860 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|1,0,2]=4 1861 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|1,0,2]=4 1862 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,0,0,1,0,0|2,0,1]=4 1863 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,0,1,0,0|1,0,2]=4 1864 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,0,1,0,0|1,0,2]=4 1865 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,0,1,0,0|1,0,2]=4 1866 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,0,1,0,0|1,0,2]=4 1867 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,0,1,0,0|0,0,2]=3 1868 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,0,0,1,0,0|1,0,2]=4 1869 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,0,0,1,0,0|1,0,2]=4 1870 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,0,0,1,0,0|1,0,2]=4 1871 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,0,0,1,0,0|1,0,2]=4 1872 B9R1.79 C=CC(C)OC1CCC1 34a_100000695699_100000749161 [0,0,0,1,0,0|2,0,0]=3 1873 B9R1.79 C=CC(C)OC1COC1 34a_100000695699_100009818527 [0,0,0,1,0,0|3,0,0]=4 1874 B9R1.79 C=CC(C)SC1CCC1 62a_100011215867_100000749161 [0,0,0,1,0,0|2,0,0]=3 1875 B9R1.79 C=CC(C)SC1COC1 62a_100011215867_100009818527 [0,0,0,1,0,0|3,0,0]=4 1876 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,0,0,1,0,0|1,0,2]=4 1877 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,0,0,1,0,0|0,0,2]=3 1878 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,0,0,1,0,0|1,0,2]=4 1879 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,0,0,1,0,0|1,0,2]=4 1880 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,0,0,1,0,0|1,0,2]=4 1881 B9R1.80 C=CC(C)COC1CC1 34a_100011215527_100000211595 [0,0,0,1,0,0|2,0,0]=3 1882 B9R1.80 C=CC(C)OCC1CC1 34a_100000695699_100000742324 [0,0,0,1,0,0|2,0,0]=3 1883 B9R1.80 C=CC(C)OCC1CO1 34a_100000695699_102125554688 [0,0,0,1,0,0|3,0,0]=4 1884 B9R1.80 C=CC(C)SCC1CC1 62a_100011215867_100000742324 [0,0,0,1,0,0|2,0,0]=3 1885 B9R1.80 C=CC(C)SCC1CO1 62a_100011215867_102125554688 [0,0,0,1,0,0|3,0,0]=4 1886 B9R1.80 C=CC(C)SCC1CS1 62a_100011215867_100000031435 [0,0,0,1,0,0|3,0,0]=4 1887 B9R1.80 C=CC(C)SC[C@@H]1CO1 62a_100011215867_100000745022 [0,0,0,1,0,0|3,0,0]=4 1888 B9R1.80 C=CC(O)CNC1CC1 34a_100000212008_100000730141 [0,0,0,1,0,0|1,0,0]=2 1889 B9R1.80 C=CC(O)CSC1CC1 62a_100000730141_100000211595 [0,0,0,1,0,0|1,0,0]=2 1890 B9R1.80 C=C[C@H](N)COC1CC1 34a_100016989147_100000211595 [0,0,0,1,0,0|2,0,0]=3 1891 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [0,0,0,1,0,0|1,0,2]=4 1892 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [0,0,0,1,0,0|1,0,2]=4 1893 B9R1.80 OCC(O)CNC1CC1 34a_100000212008_100011219619 [0,0,0,1,0,0|2,0,1]=4 1894 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,0,0,1,0,0|2,0,1]=4 1895 B9R1.80 OC[C@H](O)CNC1CC1 34a_100000212008_100009815848 [0,0,0,1,0,0|2,0,1]=4 1896 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,0,0,1,0,0|2,0,1]=4 1897 B9R1.80 O[C@@H](CF)CNC1CC1 34a_100000212008_100015614560 [0,0,0,1,0,0|2,0,1]=4 1898 B9R1.80 O[C@@H](CF)CSC1CC1 62a_100015614560_100000211595 [0,0,0,1,0,0|2,0,1]=4 1899 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,0,0,1,0,0|1,0,2]=4 1900 B9R1.81 C=CC(C)N1CCC1C 269982a_100000755817_100011215867 [0,0,0,1,0,0|2,0,0]=3 1901 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|2,0,1]=4 1902 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|2,0,1]=4 1903 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|2,0,1]=4 1904 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|2,0,1]=4 1905 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|2,0,1]=4 1906 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|2,0,1]=4 1907 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|2,0,1]=4 1908 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|2,0,1]=4 1909 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|2,0,1]=4 1910 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|2,0,1]=4 1911 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|2,0,1]=4 1912 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|2,0,1]=4 1913 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|2,0,1]=4 1914 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|2,0,1]=4 1915 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|2,0,1]=4 1916 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [0,0,0,1,0,0|1,0,2]=4 1917 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,0,0,1,0,0|2,0,1]=4 1918 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,0,0,1,0,0|2,0,1]=4 1919 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,0,0,1,0,0|2,0,1]=4 1920 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,0,0,1,0,0|2,0,1]=4 1921 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,0,0,1,0,0|2,0,1]=4 1922 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,0,0,1,0,0|2,0,1]=4 1923 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,0,0,1,0,0|2,0,1]=4 1924 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,0,0,1,0,0|2,0,1]=4 1925 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,0,0,1,0,0|1,0,2]=4 1926 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,0,0,1,0,0|1,0,2]=4 1927 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 1928 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,0]=3 1929 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 1930 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,0]=3 1931 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,0]=3 1932 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 1933 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 1934 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,0]=3 1935 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,0]=3 1936 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,0]=3 1937 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,0]=3 1938 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,0]=3 1939 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,0]=3 1940 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,0]=3 1941 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,0]=3 1942 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,0]=3 1943 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,0]=3 1944 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,0]=3 1945 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,0]=3 1946 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,0]=3 1947 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [2,0,0,0,0,0|2,0,0]=4 1948 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,0]=3 1949 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,0]=3 1950 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [2,0,0,0,0,0|2,0,0]=4 1951 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [2,0,0,0,0,0|2,0,0]=4 1952 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,0]=3 1953 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [2,0,0,0,0,0|2,0,0]=4 1954 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [2,0,0,0,0,0|2,0,0]=4 1955 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [2,0,0,0,0,0|2,0,0]=4 1956 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [2,0,0,0,0,0|2,0,0]=4 1957 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [2,0,0,0,0,0|2,0,0]=4 1958 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [2,0,0,0,0,0|2,0,0]=4 1959 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [2,0,0,0,0,0|2,0,0]=4 1960 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [2,0,0,0,0,0|2,0,0]=4 1961 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,0]=3 1962 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,0]=3 1963 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [2,0,0,0,0,0|2,0,0]=4 1964 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [2,0,0,0,0,0|2,0,0]=4 1965 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [2,0,0,0,0,0|2,0,0]=4 1966 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [2,0,0,0,0,0|2,0,0]=4 1967 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,0]=3 1968 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,0]=3 1969 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [2,0,0,0,0,0|2,0,0]=4 1970 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [2,0,0,0,0,0|2,0,0]=4 1971 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [2,0,0,0,0,0|2,0,0]=4 1972 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [2,0,0,0,0,0|2,0,0]=4 1973 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [2,0,0,0,0,0|2,0,0]=4 1974 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [2,0,0,0,0,0|2,0,0]=4 1975 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [2,0,0,0,0,0|2,0,0]=4 1976 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [2,0,0,0,0,0|2,0,0]=4 1977 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 1978 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|2,0,0]=4 1979 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 1980 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|2,0,0]=4 1981 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|2,0,0]=4 1982 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|2,0,0]=4 1983 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|2,0,0]=4 1984 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|2,0,0]=4 1985 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|2,0,0]=4 1986 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|2,0,0]=4 1987 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 1988 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 1989 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 1990 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 1991 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 1992 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1993 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 1994 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1995 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1996 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1997 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 1998 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 1999 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 2000 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 2001 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2002 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2003 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2004 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 2005 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 2006 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 2007 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 2008 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 2009 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 2010 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 2011 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 2012 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 2013 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 2014 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 2015 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 2016 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 2017 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|2,0,0]=4 2018 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 2019 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,1]=4 2020 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 2021 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 2022 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 2023 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|2,0,0]=4 2024 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|2,0,0]=4 2025 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,1]=4 2026 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 2027 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 2028 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,0]=3 2029 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 2030 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 2031 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 2032 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 2033 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,0]=3 2034 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 2035 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 2036 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 2037 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 2038 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 2039 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,0]=3 2040 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 2041 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 2042 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,0]=3 2043 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,0]=3 2044 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|2,0,0]=4 2045 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|2,0,0]=4 2046 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 2047 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 2048 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 2049 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 2050 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 2051 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 2052 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 2053 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 2054 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 2055 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2056 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2057 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 2058 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 2059 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 2060 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 2061 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 2062 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 2063 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 2064 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 2065 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 2066 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|2,0,0]=4 2067 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|2,0,0]=4 2068 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 2069 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 2070 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 2071 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,0]=3 2072 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|2,0,0]=4 2073 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|2,0,0]=4 2074 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 2075 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|2,0,0]=4 2076 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 2077 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 2078 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 2079 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 2080 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 2081 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 2082 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 2083 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 2084 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 2085 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 2086 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 2087 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 2088 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 2089 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 2090 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 2091 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2092 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2093 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 2094 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 2095 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 2096 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 2097 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|2,0,0]=4 2098 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|2,0,0]=4 2099 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 2100 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 2101 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 2102 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,0]=3 2103 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 2104 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [2,0,0,0,0,0|2,0,0]=4 2105 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [2,0,0,0,0,0|2,0,0]=4 2106 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [2,0,0,0,0,0|2,0,0]=4 2107 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [2,0,0,0,0,0|2,0,0]=4 2108 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [2,0,0,0,0,0|2,0,0]=4 2109 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [2,0,0,0,0,0|2,0,0]=4 2110 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [2,0,0,0,0,0|1,0,0]=3 2111 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [2,0,0,0,0,0|1,0,0]=3 2112 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [2,0,0,0,0,0|1,0,0]=3 2113 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [2,0,0,0,0,0|1,0,0]=3 2114 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [2,0,0,0,0,0|1,0,0]=3 2115 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [2,0,0,0,0,0|1,0,0]=3 2116 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [2,0,0,0,0,0|1,0,0]=3 2117 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [2,0,0,0,0,0|1,0,0]=3 2118 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [2,0,0,0,0,0|2,0,0]=4 2119 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [2,0,0,0,0,0|2,0,0]=4 2120 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|1,0,1]=4 2121 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|1,0,1]=4 2122 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|1,0,1]=4 2123 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|1,0,1]=4 2124 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|1,0,1]=4 2125 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|1,0,1]=4 2126 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|1,0,1]=4 2127 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,1]=4 2128 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,1]=4 2129 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|1,0,1]=4 2130 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|1,0,1]=4 2131 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|1,0,1]=4 2132 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|1,0,1]=4 2133 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|1,0,1]=4 2134 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|1,0,1]=4 2135 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|1,0,1]=4 2136 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|1,0,1]=4 2137 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|1,0,1]=4 2138 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|1,0,1]=4 2139 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|1,0,1]=4 2140 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,1]=3 2141 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,1]=3 2142 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [1,1,0,0,0,0|1,0,1]=4 2143 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,1,0,0,0,0|1,0,1]=4 2144 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [1,1,0,0,0,0|1,0,1]=4 2145 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [1,1,0,0,0,0|1,0,1]=4 2146 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [1,1,0,0,0,0|1,0,1]=4 2147 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [1,1,0,0,0,0|1,0,1]=4 2148 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,1,0,0,0,0|1,0,1]=4 2149 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [1,1,0,0,0,0|1,0,1]=4 2150 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2151 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2152 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2153 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2154 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|1,0,0]=3 2155 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|1,0,0]=3 2156 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [1,1,0,0,0,0|2,0,0]=4 2157 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [1,1,0,0,0,0|2,0,0]=4 2158 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|0,0,1]=3 2159 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|0,0,1]=3 2160 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [1,1,0,0,0,0|1,0,1]=4 2161 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,1,0,0,0,0|1,0,1]=4 2162 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,1,0,0,0,0|1,0,1]=4 2163 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [1,1,0,0,0,0|1,0,1]=4 2164 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [1,1,0,0,0,0|1,0,1]=4 2165 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2166 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2167 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2168 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|1,0,0]=3 2169 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|1,0,0]=3 2170 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|1,0,0]=3 2171 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [1,1,0,0,0,0|2,0,0]=4 2172 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [1,1,0,0,0,0|2,0,0]=4 2173 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [1,1,0,0,0,0|1,0,0]=3 2174 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [1,1,0,0,0,0|1,0,0]=3 2175 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [1,1,0,0,0,0|1,0,0]=3 2176 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [1,1,0,0,0,0|1,0,0]=3 2177 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [1,1,0,0,0,0|2,0,0]=4 2178 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [1,1,0,0,0,0|2,0,0]=4 2179 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [1,1,0,0,0,0|2,0,0]=4 2180 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [1,1,0,0,0,0|2,0,0]=4 2181 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [1,1,0,0,0,0|2,0,0]=4 2182 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [1,1,0,0,0,0|2,0,0]=4 2183 B8R0.1 C=CCCN(C)COC 2230a_100020639649_100000766300 [1,1,0,0,0,0|2,0,0]=4 2184 B8R0.1 C=CCCN(C)COC 269982a_100020639649_100000766300 [1,1,0,0,0,0|2,0,0]=4 2185 B8R0.1 C=CCCN(C)CSC 2230a_100020639649_100011218213 [1,1,0,0,0,0|2,0,0]=4 2186 B8R0.1 C=CCCN(C)CSC 269982a_100020639649_100011218213 [1,1,0,0,0,0|2,0,0]=4 2187 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [1,1,0,0,0,0|1,0,0]=3 2188 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [1,1,0,0,0,0|1,0,0]=3 2189 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [1,1,0,0,0,0|1,0,0]=3 2190 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [1,1,0,0,0,0|1,0,0]=3 2191 B8R0.1 C=CCN(C)CCCF 2230a_100000225617_100011934791 [1,1,0,0,0,0|2,0,0]=4 2192 B8R0.1 C=CCN(C)CCCF 269982a_100000225617_100011934791 [1,1,0,0,0,0|2,0,0]=4 2193 B8R0.1 C=CCN(C)CCCO 2230a_100000213112_100000210623 [1,1,0,0,0,0|2,0,0]=4 2194 B8R0.1 C=CCN(C)CCCO 2230a_100000225617_100000230001 [1,1,0,0,0,0|2,0,0]=4 2195 B8R0.1 C=CCN(C)CCCO 269982a_100000213112_100000210623 [1,1,0,0,0,0|2,0,0]=4 2196 B8R0.1 C=CCN(C)CCCO 269982a_100000225617_100011215043 [1,1,0,0,0,0|2,0,0]=4 2197 B8R0.1 C=CCN(C)CCOC 2230a_100000225617_100011201679 [1,1,0,0,0,0|2,0,0]=4 2198 B8R0.1 C=CCN(C)CCOC 2230a_100000743101_100000210623 [1,1,0,0,0,0|2,0,0]=4 2199 B8R0.1 C=CCN(C)CCOC 269982a_100000225617_100000233755 [1,1,0,0,0,0|2,0,0]=4 2200 B8R0.1 C=CCN(C)CCOC 269982a_100000743101_100000210623 [1,1,0,0,0,0|2,0,0]=4 2201 B8R0.1 C=CCN(C)CCSC 2230a_100000225617_100000751147 [1,1,0,0,0,0|2,0,0]=4 2202 B8R0.1 C=CCN(C)CCSC 2230a_100000686725_100000210623 [1,1,0,0,0,0|2,0,0]=4 2203 B8R0.1 C=CCN(C)CCSC 269982a_100000225617_100000212216 [1,1,0,0,0,0|2,0,0]=4 2204 B8R0.1 C=CCN(C)CCSC 269982a_100000686725_100000210623 [1,1,0,0,0,0|2,0,0]=4 2205 B8R0.1 C=CCN(C)COCC 269982a_100000225617_100000739092 [1,1,0,0,0,0|2,0,0]=4 2206 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2207 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2208 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2209 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [1,1,0,0,0,0|1,0,0]=3 2210 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [1,1,0,0,0,0|1,0,0]=3 2211 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [1,1,0,0,0,0|1,0,0]=3 2212 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [1,1,0,0,0,0|2,0,0]=4 2213 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [1,1,0,0,0,0|2,0,0]=4 2214 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [1,1,0,0,0,0|2,0,0]=4 2215 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [1,1,0,0,0,0|2,0,0]=4 2216 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [1,1,0,0,0,0|2,0,0]=4 2217 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [1,1,0,0,0,0|2,0,0]=4 2218 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [1,1,0,0,0,0|2,0,0]=4 2219 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [1,1,0,0,0,0|2,0,0]=4 2220 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [1,1,0,0,0,0|1,0,0]=3 2221 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [1,1,0,0,0,0|1,0,0]=3 2222 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [1,1,0,0,0,0|1,0,0]=3 2223 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [1,1,0,0,0,0|2,0,0]=4 2224 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [1,1,0,0,0,0|2,0,0]=4 2225 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [1,1,0,0,0,0|2,0,0]=4 2226 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [1,1,0,0,0,0|1,0,0]=3 2227 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [1,1,0,0,0,0|1,0,0]=3 2228 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [1,1,0,0,0,0|2,0,0]=4 2229 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [1,1,0,0,0,0|2,0,0]=4 2230 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [1,1,0,0,0,0|2,0,0]=4 2231 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [1,1,0,0,0,0|2,0,0]=4 2232 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|1,0,0]=3 2233 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|1,0,0]=3 2234 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [1,1,0,0,0,0|2,0,0]=4 2235 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [1,1,0,0,0,0|2,0,0]=4 2236 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [1,1,0,0,0,0|2,0,0]=4 2237 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [1,1,0,0,0,0|2,0,0]=4 2238 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [1,1,0,0,0,0|2,0,0]=4 2239 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|1,0,0]=3 2240 B8R0.1 C=CC[C@@H](N)COCF 34a_100020615467_100015361967 [1,1,0,0,0,0|2,0,0]=4 2241 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 2242 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 2243 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 2244 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 2245 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|2,0,0]=4 2246 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|2,0,0]=4 2247 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|2,0,0]=4 2248 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|2,0,0]=4 2249 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|2,0,0]=4 2250 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2251 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2252 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2253 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2254 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 2255 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 2256 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 2257 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 2258 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,1]=4 2259 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,1]=4 2260 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 2261 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,1,0,0,0,0|0,0,2]=4 2262 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 2263 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 2264 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,1,0,0,0,0|0,0,2]=4 2265 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 2266 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 2267 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 2268 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,1,0,0,0,0|0,0,2]=4 2269 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,1,0,0,0,0|0,0,2]=4 2270 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,1,0,0,0,0|0,0,2]=4 2271 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,1,0,0,0,0|0,0,2]=4 2272 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 2273 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,1,0,0,0,0|0,0,2]=4 2274 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 2275 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 2276 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,1,0,0,0,0|0,0,2]=4 2277 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 2278 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,1,0,0,0,0|0,0,2]=4 2279 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,1,0,0,0,0|0,0,2]=4 2280 B8R0.4 C#CCCCNCC=C 2230a_100020586998_100000731252 [1,1,0,0,0,0|0,0,2]=4 2281 B8R0.4 C#CCCCNCC=C 34a_100000718082_100015514636 [1,1,0,0,0,0|0,0,2]=4 2282 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,1,0,0,0,0|0,0,2]=4 2283 B8R0.4 C#CCCCOCC=C 34a_100000215630_100015514636 [1,1,0,0,0,0|0,0,2]=4 2284 B8R0.4 C#CCCCOCC=C 34a_200000210373_100000695029 [1,1,0,0,0,0|0,0,2]=4 2285 B8R0.4 C#CCCCOCC=C 7a_100000215630_100015514636 [1,1,0,0,0,0|0,0,2]=4 2286 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,1,0,0,0,0|0,0,2]=4 2287 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 2288 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 2289 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [1,1,0,0,0,0|0,0,2]=4 2290 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [1,1,0,0,0,0|0,0,2]=4 2291 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,1,0,0,0,0|0,0,2]=4 2292 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,1,0,0,0,0|0,0,2]=4 2293 B8R0.4 C#CCCNCCC=C 2230a_100015191253_100000688953 [1,1,0,0,0,0|0,0,2]=4 2294 B8R0.4 C#CCCNCCC=C 34a_100000755551_100000754431 [1,1,0,0,0,0|0,0,2]=4 2295 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,1,0,0,0,0|0,0,2]=4 2296 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,1,0,0,0,0|0,0,2]=4 2297 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,1,0,0,0,0|0,0,2]=4 2298 B8R0.4 C#CCCOCCC=C 34a_100011205117_100000688953 [1,1,0,0,0,0|0,0,2]=4 2299 B8R0.4 C#CCCOCCC=C 34a_100011215631_100000754431 [1,1,0,0,0,0|0,0,2]=4 2300 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 2301 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,1,0,0,0,0|0,0,2]=4 2302 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 2303 B8R0.4 C#CCCSCCC=C 62a_100000688953_100000754431 [1,1,0,0,0,0|0,0,2]=4 2304 B8R0.4 C#CCCSCCC=C 62a_100000754431_100000688953 [1,1,0,0,0,0|0,0,2]=4 2305 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,1,0,0,0,0|0,0,2]=4 2306 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,1,0,0,0,0|0,0,2]=4 2307 B8R0.4 C#CCNCCCC=C 2230a_100000700776_100000038162 [1,1,0,0,0,0|0,0,2]=4 2308 B8R0.4 C#CCNCCCC=C 34a_100000212058_100000757094 [1,1,0,0,0,0|0,0,2]=4 2309 B8R0.4 C#CCNCCCC=C 34a_100000700776_100000184674 [1,1,0,0,0,0|0,0,2]=4 2310 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,1,0,0,0,0|0,0,2]=4 2311 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,1,0,0,0,0|0,0,2]=4 2312 B8R0.4 C#CCOCCCC=C 34a_100000210247_100000757094 [1,1,0,0,0,0|0,0,2]=4 2313 B8R0.4 C#CCOCCCC=C 34a_100000758997_100000184674 [1,1,0,0,0,0|0,0,2]=4 2314 B8R0.4 C#CCOCCCC=C 7a_100000758997_100000038162 [1,1,0,0,0,0|0,0,2]=4 2315 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,1,0,0,0,0|0,0,2]=4 2316 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,1,0,0,0,0|0,0,2]=4 2317 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,1,0,0,0,0|0,0,2]=4 2318 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [1,1,0,0,0,0|0,0,2]=4 2319 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,1,0,0,0,0|0,0,2]=4 2320 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|1,0,0]=3 2321 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,1,0,0,0,0|2,0,0]=4 2322 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|2,0,0]=4 2323 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|2,0,0]=4 2324 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|1,0,0]=3 2325 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,1,0,0,0,0|2,0,0]=4 2326 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,1,0,0,0,0|2,0,0]=4 2327 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|1,0,0]=3 2328 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|1,0,0]=3 2329 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|1,0,0]=3 2330 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,1,0,0,0,0|2,0,0]=4 2331 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,1,0,0,0,0|2,0,0]=4 2332 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,1,0,0,0,0|2,0,0]=4 2333 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|2,0,0]=4 2334 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|2,0,0]=4 2335 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|2,0,0]=4 2336 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|2,0,0]=4 2337 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|2,0,0]=4 2338 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|2,0,0]=4 2339 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|2,0,0]=4 2340 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|1,0,0]=3 2341 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|1,0,0]=3 2342 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,1,0,0,0,0|2,0,0]=4 2343 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,1,0,0,0,0|2,0,0]=4 2344 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|2,0,0]=4 2345 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|2,0,0]=4 2346 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|2,0,0]=4 2347 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|2,0,0]=4 2348 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|2,0,0]=4 2349 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|2,0,0]=4 2350 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|2,0,0]=4 2351 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|2,0,0]=4 2352 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [1,1,0,0,0,0|1,0,1]=4 2353 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|0,0,0]=2 2354 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|0,0,0]=2 2355 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|0,0,0]=2 2356 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|0,0,0]=2 2357 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|0,0,0]=2 2358 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|0,0,0]=2 2359 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|0,0,0]=2 2360 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|0,0,0]=2 2361 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|0,0,0]=2 2362 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|0,0,0]=2 2363 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|0,0,0]=2 2364 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|0,0,0]=2 2365 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|0,0,0]=2 2366 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|0,0,0]=2 2367 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|0,0,0]=2 2368 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,1,0,0,0,0|1,0,0]=3 2369 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|0,0,0]=2 2370 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|0,0,0]=2 2371 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|0,0,0]=2 2372 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,1,0,0,0,0|1,0,0]=3 2373 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,1,0,0,0,0|1,0,0]=3 2374 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|0,0,0]=2 2375 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|0,0,0]=2 2376 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,1,0,0,0,0|1,0,0]=3 2377 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,1,0,0,0,0|1,0,0]=3 2378 B8R0.4 C=CCCCNCC#N 2230a_100000700776_100011215382 [1,1,0,0,0,0|1,0,1]=4 2379 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [1,1,0,0,0,0|0,0,2]=4 2380 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [1,1,0,0,0,0|0,0,2]=4 2381 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [1,1,0,0,0,0|0,0,2]=4 2382 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,1,0,0,0,0|1,0,1]=4 2383 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|0,0,0]=2 2385 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|0,0,0]=2 2386 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,1,0,0,0,0|1,0,0]=3 2387 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,1,0,0,0,0|1,0,0]=3 2388 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,1,0,0,0,0|1,0,0]=3 2389 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|1,0,0]=3 2390 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|1,0,0]=3 2391 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|1,0,0]=3 2392 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|1,0,0]=3 2393 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,1,0,0,0,0|1,0,0]=3 2394 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,1,0,0,0,0|1,0,0]=3 2395 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,1,0,0,0,0|1,0,0]=3 2396 B8R0.4 C=CCCCOCC#N 7a_100000758997_100011215382 [1,1,0,0,0,0|1,0,1]=4 2397 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [1,1,0,0,0,0|0,0,2]=4 2398 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [1,1,0,0,0,0|0,0,2]=4 2399 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [1,1,0,0,0,0|0,0,2]=4 2400 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,1,0,0,0,0|1,0,1]=4 2401 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,1,0,0,0,0|1,0,1]=4 2402 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,1,0,0,0,0|1,0,0]=3 2403 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,0]=2 2404 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,0]=2 2405 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,0]=2 2406 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,1,0,0,0,0|1,0,0]=3 2407 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,1,0,0,0,0|1,0,0]=3 2408 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,1,0,0,0,0|1,0,0]=3 2409 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|1,0,0]=3 2410 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|1,0,0]=3 2411 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,1,0,0,0,0|1,0,0]=3 2412 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [1,1,0,0,0,0|1,0,1]=4 2413 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [1,1,0,0,0,0|1,0,1]=4 2414 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [1,1,0,0,0,0|0,0,2]=4 2415 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [1,1,0,0,0,0|0,0,2]=4 2416 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,1,0,0,0,0|1,0,1]=4 2417 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,1,0,0,0,0|1,0,1]=4 2418 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|0,0,0]=2 2419 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|0,0,0]=2 2420 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,1,0,0,0,0|1,0,0]=3 2421 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,1,0,0,0,0|1,0,0]=3 2422 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|1,0,0]=3 2423 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|1,0,0]=3 2424 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,1,0,0,0,0|1,0,0]=3 2425 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,1,0,0,0,0|1,0,0]=3 2426 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,1,0,0,0,0|1,0,0]=3 2427 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,1,0,0,0,0|1,0,0]=3 2428 B8R0.4 C=CCCNCC#CC 2230a_100000685387_100000754431 [1,1,0,0,0,0|0,0,2]=4 2429 B8R0.4 C=CCCNCC#CC 2230a_100015191253_100000748600 [1,1,0,0,0,0|0,0,2]=4 2430 B8R0.4 C=CCCNCC#CC 34a_100000685387_100000754431 [1,1,0,0,0,0|0,0,2]=4 2431 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [1,1,0,0,0,0|0,0,2]=4 2432 B8R0.4 C=CCCNCCC#N 2230a_100015191253_100011215226 [1,1,0,0,0,0|1,0,1]=4 2433 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [1,1,0,0,0,0|0,0,2]=4 2434 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|0,0,0]=2 2435 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|0,0,0]=2 2436 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|0,0,0]=2 2437 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,1,0,0,0,0|1,0,0]=3 2438 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,1,0,0,0,0|1,0,0]=3 2439 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,1,0,0,0,0|1,0,0]=3 2440 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,1,0,0,0,0|1,0,0]=3 2441 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,1,0,0,0,0|1,0,0]=3 2442 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,1,0,0,0,0|1,0,0]=3 2443 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,1,0,0,0,0|1,0,0]=3 2444 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,1,0,0,0,0|1,0,0]=3 2445 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [1,1,0,0,0,0|0,0,2]=4 2446 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [1,1,0,0,0,0|0,0,2]=4 2447 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [1,1,0,0,0,0|0,0,2]=4 2448 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [1,1,0,0,0,0|0,0,2]=4 2449 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [1,1,0,0,0,0|0,0,2]=4 2450 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [1,1,0,0,0,0|0,0,2]=4 2451 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,1,0,0,0,0|1,0,0]=3 2452 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|0,0,0]=2 2453 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|0,0,0]=2 2454 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|0,0,0]=2 2455 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,1,0,0,0,0|1,0,0]=3 2456 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,1,0,0,0,0|1,0,0]=3 2457 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,1,0,0,0,0|1,0,0]=3 2458 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,1,0,0,0,0|1,0,0]=3 2459 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,1,0,0,0,0|1,0,0]=3 2460 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,1,0,0,0,0|1,0,0]=3 2461 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,1,0,0,0,0|1,0,0]=3 2462 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [1,1,0,0,0,0|2,0,0]=4 2463 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,1,0,0,0,0|1,0,0]=3 2464 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,1,0,0,0,0|1,0,0]=3 2465 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,1,0,0,0,0|1,0,0]=3 2466 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [1,1,0,0,0,0|0,0,2]=4 2467 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [1,1,0,0,0,0|0,0,2]=4 2468 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [1,1,0,0,0,0|0,0,2]=4 2469 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [1,1,0,0,0,0|0,0,2]=4 2470 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [1,1,0,0,0,0|0,0,2]=4 2471 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [1,1,0,0,0,0|0,0,2]=4 2472 B8R0.4 C=CCCSCCC#N 62a_100000754431_100011215226 [1,1,0,0,0,0|1,0,1]=4 2473 B8R0.4 C=CCCSCCC#N 62a_100011215226_100000754431 [1,1,0,0,0,0|1,0,1]=4 2474 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [1,1,0,0,0,0|0,0,2]=4 2475 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|0,0,0]=2 2476 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|0,0,0]=2 2477 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,1,0,0,0,0|1,0,0]=3 2478 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,1,0,0,0,0|1,0,0]=3 2479 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,1,0,0,0,0|1,0,0]=3 2480 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,1,0,0,0,0|1,0,0]=3 2481 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,1,0,0,0,0|1,0,0]=3 2482 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,1,0,0,0,0|1,0,0]=3 2483 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,1,0,0,0,0|1,0,0]=3 2484 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,1,0,0,0,0|1,0,0]=3 2485 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,1,0,0,0,0|1,0,0]=3 2486 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,1,0,0,0,0|1,0,0]=3 2487 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,1,0,0,0,0|0,0,2]=4 2488 B8R0.4 C=CCNCC#CCC 2230a_100020586998_100009813939 [1,1,0,0,0,0|0,0,2]=4 2489 B8R0.4 C=CCNCCCC#N 2230a_100020586998_100000687738 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|0,0,0]=2 2492 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|0,0,0]=2 2493 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,1,0,0,0,0|1,0,0]=3 2494 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,1,0,0,0,0|1,0,0]=3 2495 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,1,0,0,0,0|1,0,0]=3 2496 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,1,0,0,0,0|1,0,0]=3 2497 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,1,0,0,0,0|1,0,0]=3 2498 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,1,0,0,0,0|1,0,0]=3 2499 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,1,0,0,0,0|1,0,0]=3 2500 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,1,0,0,0,0|1,0,0]=3 2501 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,1,0,0,0,0|1,0,0]=3 2502 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,1,0,0,0,0|1,0,0]=3 2503 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,1,0,0,0,0|1,0,0]=3 2504 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,1,0,0,0,0|1,0,0]=3 2505 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,1,0,0,0,0|0,0,2]=4 2506 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,1,0,0,0,0|0,0,2]=4 2507 B8R0.4 C=CCOCC#CCC 34a_100000032950_100015514636 [1,1,0,0,0,0|0,0,2]=4 2508 B8R0.4 C=CCOCC#CCC 34a_200000210373_100009813939 [1,1,0,0,0,0|0,0,2]=4 2509 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [1,1,0,0,0,0|0,0,2]=4 2510 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [1,1,0,0,0,0|0,0,2]=4 2511 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,1,0,0,0,0|1,0,0]=3 2512 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|0,0,0]=2 2513 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|0,0,0]=2 2514 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|0,0,0]=2 2515 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,1,0,0,0,0|1,0,0]=3 2516 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,1,0,0,0,0|1,0,0]=3 2517 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,1,0,0,0,0|1,0,0]=3 2518 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,1,0,0,0,0|1,0,0]=3 2519 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,1,0,0,0,0|1,0,0]=3 2520 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,1,0,0,0,0|1,0,0]=3 2521 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,1,0,0,0,0|1,0,0]=3 2522 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,1,0,0,0,0|1,0,0]=3 2523 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,1,0,0,0,0|1,0,0]=3 2524 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,1,0,0,0,0|1,0,0]=3 2525 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,1,0,0,0,0|1,0,0]=3 2526 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,1,0,0,0,0|1,0,0]=3 2527 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,1,0,0,0,0|1,0,0]=3 2528 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,1,0,0,0,0|1,0,0]=3 2529 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,1,0,0,0,0|1,0,0]=3 2530 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,1,0,0,0,0|1,0,0]=3 2531 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,1,0,0,0,0|1,0,0]=3 2532 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,1,0,0,0,0|1,0,0]=3 2533 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [1,1,0,0,0,0|2,0,0]=4 2534 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [1,1,0,0,0,0|2,0,0]=4 2535 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,1,0,0,0,0|1,0,0]=3 2536 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,1,0,0,0,0|1,0,0]=3 2537 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,1,0,0,0,0|1,0,0]=3 2538 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,1,0,0,0,0|0,0,2]=4 2539 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,1,0,0,0,0|0,0,2]=4 2540 B8R0.4 C=CCSCC#CCC 62a_100000210623_100009813939 [1,1,0,0,0,0|0,0,2]=4 2541 B8R0.4 C=CCSCC#CCC 62a_100009813939_100000210623 [1,1,0,0,0,0|0,0,2]=4 2542 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [1,1,0,0,0,0|1,0,1]=4 2543 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [1,1,0,0,0,0|1,0,1]=4 2544 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,1,0,0,0,0|1,0,1]=4 2545 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,1,0,0,0,0|1,0,1]=4 2546 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|0,0,0]=2 2547 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|0,0,0]=2 2548 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,1,0,0,0,0|1,0,0]=3 2549 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,1,0,0,0,0|1,0,0]=3 2550 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,1,0,0,0,0|1,0,0]=3 2551 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,1,0,0,0,0|1,0,0]=3 2552 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,1,0,0,0,0|1,0,0]=3 2553 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,1,0,0,0,0|1,0,0]=3 2554 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,1,0,0,0,0|1,0,0]=3 2555 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,1,0,0,0,0|1,0,0]=3 2556 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,1,0,0,0,0|1,0,0]=3 2557 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,1,0,0,0,0|1,0,0]=3 2558 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,1,0,0,0,0|1,0,0]=3 2559 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,1,0,0,0,0|1,0,0]=3 2560 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,1,0,0,0,0|1,0,0]=3 2561 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,1,0,0,0,0|1,0,0]=3 2562 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,1,0,0,0,0|1,0,0]=3 2563 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,1,0,0,0,0|1,0,0]=3 2564 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [1,1,0,0,0,0|2,0,0]=4 2565 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [1,1,0,0,0,0|2,0,0]=4 2566 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [1,1,0,0,0,0|2,0,0]=4 2567 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [1,1,0,0,0,0|2,0,0]=4 2568 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [1,1,0,0,0,0|2,0,0]=4 2569 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,1,0,0,0,0|1,0,0]=3 2570 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,1,0,0,0,0|1,0,0]=3 2571 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [1,1,0,0,0,0|2,0,0]=4 2573 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [1,1,0,0,0,0|2,0,0]=4 2574 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [1,1,0,0,0,0|2,0,0]=4 2575 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,1,0,0,0,0|1,0,0]=3 2576 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,1,0,0,0,0|1,0,0]=3 2577 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [1,1,0,0,0,0|2,0,0]=4 2578 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [1,1,0,0,0,0|2,0,0]=4 2579 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [1,1,0,0,0,0|2,0,0]=4 2581 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [1,1,0,0,0,0|2,0,0]=4 2584 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [1,1,0,0,0,0|2,0,0]=4 2585 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|1,0,0]=3 2586 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|1,0,0]=3 2588 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|1,0,0]=3 2589 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,1,0,0,0,0|2,0,0]=4 2590 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,1,0,0,0,0|2,0,0]=4 2591 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|2,0,0]=4 2592 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,1,0,0,0,0|2,0,0]=4 2594 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|1,0,0]=3 2595 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|1,0,0]=3 2596 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,1,0,0,0,0|2,0,0]=4 2597 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,1,0,0,0,0|2,0,0]=4 2598 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|2,0,0]=4 2599 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|2,0,0]=4 2600 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|2,0,0]=4 2601 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|2,0,0]=4 2602 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|1,0,0]=3 2603 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|1,0,0]=3 2604 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,1,0,0,0,0|2,0,0]=4 2605 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|2,0,0]=4 2609 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|2,0,0]=4 2610 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|2,0,0]=4 2611 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|2,0,0]=4 2612 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|2,0,0]=4 2613 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,1]=4 2615 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|0,0,2]=4 2616 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|0,0,2]=4 2617 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|0,0,2]=4 2618 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|0,0,2]=4 2619 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|0,0,2]=4 2620 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|0,0,2]=4 2621 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|0,0,2]=4 2622 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|0,0,2]=4 2623 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|0,0,2]=4 2624 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|0,0,2]=4 2625 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|0,0,2]=4 2626 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|0,0,2]=4 2627 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|0,0,2]=4 2628 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|0,0,2]=4 2629 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|0,0,2]=4 2630 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|0,0,2]=4 2631 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|0,0,2]=4 2632 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|0,0,2]=4 2633 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|0,0,2]=4 2634 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 2635 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 2636 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|0,0,2]=4 2637 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|0,0,2]=4 2638 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,1]=4 2639 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,1]=4 2640 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,1,0,0,0,0|1,0,1]=4 2641 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|1,0,0]=3 2642 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|0,0,2]=4 2643 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,1,0,0,0,0|1,0,1]=4 2644 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,1,0,0,0,0|1,0,1]=4 2645 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|1,0,1]=4 2646 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|1,0,1]=4 2647 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|1,0,1]=4 2648 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|1,0,1]=4 2649 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,1]=4 2650 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|1,0,0]=3 2652 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|1,0,0]=3 2653 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,1]=4 2654 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|0,0,2]=4 2655 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|0,0,2]=4 2656 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|0,0,2]=4 2657 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 2659 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,1]=4 2660 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2661 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2662 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,1,0,0,0,0|1,0,1]=4 2664 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|1,0,0]=3 2666 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|1,0,0]=3 2667 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|0,0,2]=4 2668 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|0,0,2]=4 2669 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,1,0,0,0,0|1,0,1]=4 2670 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,1,0,0,0,0|1,0,1]=4 2671 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|1,0,1]=4 2672 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|1,0,1]=4 2673 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|1,0,1]=4 2674 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,1]=4 2676 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,1]=4 2677 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,1,0,0,0,0|1,0,1]=4 2678 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,1,0,0,0,0|1,0,1]=4 2679 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|0,0,2]=4 2680 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|0,0,2]=4 2681 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,1,0,0,0,0|1,0,1]=4 2684 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,1,0,0,0,0|1,0,1]=4 2685 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|1,0,1]=4 2686 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|1,0,1]=4 2687 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,1]=4 2688 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,1]=4 2689 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,1]=4 2690 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,1]=4 2691 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,1]=4 2692 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,1]=4 2693 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,1,0,0,0,0|1,0,1]=4 2694 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,1,0,0,0,0|1,0,1]=4 2695 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|0,0,2]=4 2696 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|0,0,2]=4 2697 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,1,0,0,0,0|1,0,1]=4 2698 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 2699 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,1,0,0,0,0|1,0,1]=4 2700 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 2701 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|1,0,1]=4 2702 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|1,0,1]=4 2703 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|1,0,1]=4 2707 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|1,0,1]=4 2708 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|1,0,1]=4 2709 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|1,0,1]=4 2712 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 2713 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 2715 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 2716 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 2717 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,1]=4 2718 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,1]=4 2719 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,1]=4 2720 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 2721 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,1]=4 2722 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,1]=4 2723 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,1]=4 2724 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,1,0,0,0,0|1,0,1]=4 2725 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,1,0,0,0,0|1,0,1]=4 2726 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|0,0,2]=4 2727 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,1,0,0,0,0|1,0,1]=4 2729 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|1,0,1]=4 2730 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|1,0,1]=4 2731 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|1,0,1]=4 2732 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|1,0,1]=4 2733 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 2734 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|1,0,1]=4 2735 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|1,0,1]=4 2736 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 2737 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 2738 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 2739 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,1]=4 2740 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,1]=4 2741 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 2742 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,1,0,0,0,0|1,0,1]=4 2746 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2747 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2748 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,1,0,0,0,0|1,0,1]=4 2749 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 2753 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|1,0,1]=4 2754 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 2755 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 2756 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 2757 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 2758 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|1,0,1]=4 2761 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|1,0,1]=4 2762 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|1,0,1]=4 2763 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,1,0,0,0,0|1,0,1]=4 2764 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,1,0,0,0,0|1,0,1]=4 2765 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|1,0,0]=3 2766 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|1,0,0]=3 2767 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,1,0,0,0,0|1,0,1]=4 2768 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,1,0,0,0,0|1,0,1]=4 2769 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|1,0,1]=4 2770 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2771 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|1,0,1]=4 2772 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|1,0,1]=4 2773 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,1,0,0,0,0|1,0,1]=4 2774 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|1,0,0]=3 2775 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,1,0,0,0,0|1,0,1]=4 2776 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 2777 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|1,0,1]=4 2778 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 2779 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|1,0,1]=4 2780 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 2781 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 2782 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 2783 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 2784 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,1]=4 2785 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 2786 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 2787 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 2788 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|1,0,1]=4 2789 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|1,0,1]=4 2790 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|1,0,1]=4 2791 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|1,0,1]=4 2792 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|1,0,1]=4 2793 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,1,0,0,0,0|2,0,0]=4 2794 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,1,0,0,0,0|2,0,0]=4 2795 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|2,0,0]=4 2797 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,1,0,0,0,0|1,0,1]=4 2800 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,1,0,0,0,0|1,0,1]=4 2801 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|1,0,0]=3 2802 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|1,0,0]=3 2803 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,1,0,0,0,0|1,0,1]=4 2804 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,1,0,0,0,0|1,0,1]=4 2805 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|1,0,1]=4 2806 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 2807 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|1,0,1]=4 2808 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|1,0,1]=4 2809 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,1,0,0,0,0|2,0,0]=4 2812 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,1,0,0,0,0|2,0,0]=4 2813 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,1,0,0,0,0|2,0,0]=4 2814 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 2815 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 2816 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|1,0,0]=3 2817 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|1,0,0]=3 2818 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 2819 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,1]=4 2820 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 2821 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 2822 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|1,0,1]=4 2823 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 2824 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|1,0,1]=4 2825 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|1,0,1]=4 2826 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2827 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 2828 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2829 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 2830 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 2832 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 2833 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 2834 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 2835 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 2836 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,1]=4 2837 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 2838 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 2839 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|1,0,1]=4 2840 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2841 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2842 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,1,0,0,0,0|2,0,0]=4 2843 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,1,0,0,0,0|2,0,0]=4 2844 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,1,0,0,0,0|2,0,0]=4 2845 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,1,0,0,0,0|2,0,0]=4 2846 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,1,0,0,0,0|2,0,0]=4 2847 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,1,0,0,0,0|1,0,1]=4 2849 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,1,0,0,0,0|1,0,1]=4 2850 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|1,0,0]=3 2851 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|1,0,0]=3 2852 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,1]=4 2853 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,1]=4 2854 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 2855 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,1]=4 2856 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,1,0,0,0,0|2,0,0]=4 2857 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|2,0,0]=4 2858 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|2,0,0]=4 2859 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,1,0,0,0,0|2,0,0]=4 2860 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,1,0,0,0,0|2,0,0]=4 2861 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,1,0,0,0,0|2,0,0]=4 2862 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,1,0,0,0,0|2,0,0]=4 2863 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,1,0,0,0,0|2,0,0]=4 2864 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,1,0,0,0,0|2,0,0]=4 2865 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,1,0,0,0,0|2,0,0]=4 2866 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,1,0,0,0,0|2,0,0]=4 2867 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,1,0,0,0,0|2,0,0]=4 2868 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,1,0,0,0,0|2,0,0]=4 2869 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,1,0,0,0,0|2,0,0]=4 2870 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,1,0,0,0,0|2,0,0]=4 2871 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,1,0,0,0,0|2,0,0]=4 2872 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,1,0,0,0,0|2,0,0]=4 2873 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,1,0,0,0,0|2,0,0]=4 2874 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,1,0,0,0,0|2,0,0]=4 2875 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,1,0,0,0,0|2,0,0]=4 2876 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,1,0,0,0,0|2,0,0]=4 2877 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,1,0,0,0,0|2,0,0]=4 2878 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,1,0,0,0,0|2,0,0]=4 2879 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,1,0,0,0,0|2,0,0]=4 2880 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,1,0,0,0,0|2,0,0]=4 2881 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 2882 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 2883 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 2884 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 2885 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 2886 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 2887 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 2888 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 2889 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 2890 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,1,0,0,0,0|1,0,1]=4 2891 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,1,0,0,0,0|1,0,1]=4 2892 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|1,0,0]=3 2893 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|1,0,0]=3 2894 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,1]=4 2895 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,1]=4 2896 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 2897 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,1]=4 2898 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|1,0,0]=3 2899 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [1,1,0,0,0,0|2,0,0]=4 2900 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [1,1,0,0,0,0|2,0,0]=4 2901 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [1,1,0,0,0,0|2,0,0]=4 2902 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [1,1,0,0,0,0|2,0,0]=4 2903 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,1,0,0,0,0|2,0,0]=4 2904 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,1,0,0,0,0|2,0,0]=4 2905 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [1,1,0,0,0,0|2,0,0]=4 2906 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,0]=3 2907 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,0]=3 2908 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [1,1,0,0,0,0|2,0,0]=4 2909 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,1,0,0,0,0|2,0,0]=4 2910 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,1,0,0,0,0|2,0,0]=4 2911 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [1,1,0,0,0,0|2,0,0]=4 2912 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,0,0]=3 2913 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,0,0]=3 2914 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [1,1,0,0,0,0|2,0,0]=4 2915 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [1,1,0,0,0,0|2,0,0]=4 2916 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,1,0,0,0,0|2,0,0]=4 2917 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,1,0,0,0,0|2,0,0]=4 2918 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [1,1,0,0,0,0|2,0,0]=4 2919 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [1,1,0,0,0,0|2,0,0]=4 2920 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [1,1,0,0,0,0|2,0,0]=4 2921 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [1,1,0,0,0,0|2,0,0]=4 2922 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,0]=3 2923 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,0]=3 2924 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [1,1,0,0,0,0|2,0,0]=4 2925 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [1,1,0,0,0,0|2,0,0]=4 2926 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [1,1,0,0,0,0|2,0,0]=4 2927 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [1,1,0,0,0,0|2,0,0]=4 2928 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [1,1,0,0,0,0|2,0,0]=4 2929 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,0]=3 2930 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,0]=3 2931 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,0]=3 2932 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [1,1,0,0,0,0|2,0,0]=4 2933 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [1,1,0,0,0,0|2,0,0]=4 2934 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [1,1,0,0,0,0|2,0,0]=4 2935 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [1,1,0,0,0,0|2,0,0]=4 2936 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,1,0,0,0,0|2,0,0]=4 2937 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [1,1,0,0,0,0|2,0,0]=4 2938 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [1,1,0,0,0,0|2,0,0]=4 2939 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [1,1,0,0,0,0|2,0,0]=4 2940 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [1,1,0,0,0,0|2,0,0]=4 2941 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [1,1,0,0,0,0|2,0,0]=4 2942 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,0]=3 2943 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,0]=3 2944 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [1,1,0,0,0,0|2,0,0]=4 2945 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [1,1,0,0,0,0|2,0,0]=4 2946 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,1,0,0,0,0|2,0,0]=4 2947 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,1,0,0,0,0|2,0,0]=4 2948 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [1,1,0,0,0,0|2,0,0]=4 2949 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [1,1,0,0,0,0|2,0,0]=4 2950 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [1,1,0,0,0,0|2,0,0]=4 2951 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [1,1,0,0,0,0|2,0,0]=4 2952 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [1,1,0,0,0,0|2,0,0]=4 2953 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [1,1,0,0,0,0|2,0,0]=4 2954 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|1,0,0]=3 2955 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|1,0,0]=3 2956 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [1,1,0,0,0,0|2,0,0]=4 2957 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [1,1,0,0,0,0|2,0,0]=4 2958 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [1,1,0,0,0,0|2,0,0]=4 2959 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [1,1,0,0,0,0|2,0,0]=4 2960 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [1,1,0,0,0,0|2,0,0]=4 2961 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|1,0,0]=3 2962 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|1,0,0]=3 2963 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|1,0,0]=3 2964 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [1,1,0,0,0,0|2,0,0]=4 2965 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [1,1,0,0,0,0|2,0,0]=4 2966 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [1,1,0,0,0,0|2,0,0]=4 2967 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [1,1,0,0,0,0|2,0,0]=4 2968 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [1,1,0,0,0,0|2,0,0]=4 2969 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [1,1,0,0,0,0|2,0,0]=4 2970 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [1,1,0,0,0,0|2,0,0]=4 2971 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [1,1,0,0,0,0|2,0,0]=4 2972 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [1,1,0,0,0,0|2,0,0]=4 2973 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [1,1,0,0,0,0|2,0,0]=4 2974 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|1,0,0]=3 2975 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|1,0,0]=3 2976 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [1,1,0,0,0,0|2,0,0]=4 2977 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [1,1,0,0,0,0|2,0,0]=4 2978 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [1,1,0,0,0,0|2,0,0]=4 2979 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [1,1,0,0,0,0|2,0,0]=4 2980 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [1,1,0,0,0,0|2,0,0]=4 2981 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [1,1,0,0,0,0|2,0,0]=4 2982 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [1,1,0,0,0,0|2,0,0]=4 2983 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [1,1,0,0,0,0|2,0,0]=4 2984 B8R0.7 C=C(F)CSCOCC 62a_100000042424_100000739092 [1,1,0,0,0,0|2,0,0]=4 2985 B8R0.7 C=C(F)CSCOCC 62a_100000739092_100000042424 [1,1,0,0,0,0|2,0,0]=4 2986 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|0,0,1]=3 2987 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|0,0,1]=3 2988 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|0,0,1]=3 2989 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,1,0,0,0,0|1,0,0]=3 2990 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,1,0,0,0,0|1,0,0]=3 2991 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,1,0,0,0,0|1,0,0]=3 2992 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,1,0,0,0,0|1,0,0]=3 2993 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,1,0,0,0,0|1,0,0]=3 2994 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,1,0,0,0,0|1,0,0]=3 2995 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 2996 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 2997 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 2998 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,1,0,0,0,0|1,0,1]=4 2999 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|1,0,0]=3 3000 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|1,0,0]=3 3001 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|1,0,0]=3 3002 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|1,0,0]=3 3003 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|1,0,0]=3 3004 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|1,0,0]=3 3005 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|1,0,0]=3 3006 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|1,0,0]=3 3007 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|1,0,0]=3 3008 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [1,1,0,0,0,0|1,0,1]=4 3009 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,1,0,0,0,0|1,0,0]=3 3010 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,1,0,0,0,0|1,0,0]=3 3011 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,1,0,0,0,0|1,0,0]=3 3012 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,1,0,0,0,0|1,0,0]=3 3013 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|1,0,0]=3 3014 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|1,0,0]=3 3015 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|1,0,0]=3 3016 B8R0.7 C=CCCNCC(F)F 2230a_100015191253_100011934356 [1,1,0,0,0,0|2,0,0]=4 3017 B8R0.7 C=CCCNCC(F)F 34a_100000765723_100000754431 [1,1,0,0,0,0|2,0,0]=4 3018 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|1,0,0]=3 3019 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [1,1,0,0,0,0|1,0,1]=4 3020 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [1,1,0,0,0,0|1,0,1]=4 3021 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,1,0,0,0,0|1,0,1]=4 3022 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,1,0,0,0,0|1,0,0]=3 3023 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|1,0,0]=3 3024 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|1,0,0]=3 3025 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,1,0,0,0,0|1,0,0]=3 3026 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|1,0,0]=3 3027 B8R0.7 C=CCCOCC(F)F 34a_100000743014_100000754431 [1,1,0,0,0,0|2,0,0]=4 3028 B8R0.7 C=CCCOCC(F)F 34a_100011205117_100011934356 [1,1,0,0,0,0|2,0,0]=4 3029 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,1,0,0,0,0|1,0,0]=3 3030 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,1,0,0,0,0|1,0,0]=3 3031 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|1,0,0]=3 3032 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [1,1,0,0,0,0|1,0,1]=4 3033 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [1,1,0,0,0,0|1,0,1]=4 3034 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,1,0,0,0,0|1,0,0]=3 3035 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,1,0,0,0,0|1,0,0]=3 3036 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|1,0,0]=3 3037 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|1,0,0]=3 3038 B8R0.7 C=CCCSCC(F)F 62a_100000754431_100011934356 [1,1,0,0,0,0|2,0,0]=4 3039 B8R0.7 C=CCCSCC(F)F 62a_100011934356_100000754431 [1,1,0,0,0,0|2,0,0]=4 3040 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|1,0,0]=3 3041 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|1,0,0]=3 3042 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [1,1,0,0,0,0|1,0,1]=4 3043 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [1,1,0,0,0,0|1,0,0]=3 3044 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,1,0,0,0,0|1,0,0]=3 3045 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,1,0,0,0,0|1,0,0]=3 3046 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [1,1,0,0,0,0|2,0,0]=4 3047 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [1,1,0,0,0,0|1,0,1]=4 3048 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [1,1,0,0,0,0|1,0,1]=4 3049 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,1,0,0,0,0|1,0,1]=4 3050 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,1,0,0,0,0|1,0,1]=4 3051 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,1,0,0,0,0|1,0,1]=4 3052 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,1,0,0,0,0|1,0,1]=4 3053 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [1,1,0,0,0,0|1,0,0]=3 3054 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,1,0,0,0,0|1,0,0]=3 3055 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,1,0,0,0,0|1,0,0]=3 3056 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,1,0,0,0,0|1,0,0]=3 3057 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|1,0,0]=3 3058 B8R0.7 C=CCOCCC(F)F 34a_100103093639_100015514636 [1,1,0,0,0,0|2,0,0]=4 3059 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [1,1,0,0,0,0|1,0,0]=3 3060 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [1,1,0,0,0,0|2,0,0]=4 3061 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [1,1,0,0,0,0|1,0,1]=4 3062 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [1,1,0,0,0,0|1,0,1]=4 3063 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,1,0,0,0,0|1,0,1]=4 3064 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,1,0,0,0,0|1,0,1]=4 3065 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,1,0,0,0,0|1,0,0]=3 3066 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,1,0,0,0,0|1,0,0]=3 3067 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,1,0,0,0,0|1,0,0]=3 3068 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,1,0,0,0,0|1,0,0]=3 3069 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [1,1,0,0,0,0|2,0,0]=4 3070 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [1,1,0,0,0,0|2,0,0]=4 3071 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [1,1,0,0,0,0|2,0,0]=4 3072 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 3073 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 3074 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,1,0,0,0,0|2,0,0]=4 3075 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,1,0,0,0,0|2,0,0]=4 3076 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [1,1,0,0,0,0|2,0,0]=4 3077 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [1,1,0,0,0,0|2,0,0]=4 3078 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,1]=4 3079 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,1]=4 3080 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,1]=4 3081 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 3082 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 3083 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [1,1,0,0,0,0|2,0,0]=4 3084 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3085 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3086 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 3087 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 3088 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,1,0,0,0,0|2,0,0]=4 3089 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,1,0,0,0,0|2,0,0]=4 3090 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,1,0,0,0,0|2,0,0]=4 3091 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,1,0,0,0,0|2,0,0]=4 3092 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,1,0,0,0,0|2,0,0]=4 3093 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,1,0,0,0,0|2,0,0]=4 3094 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,1,0,0,0,0|2,0,0]=4 3095 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,0,0,0,0|2,0,0]=4 3096 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,1,0,0,0,0|2,0,0]=4 3097 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,1,0,0,0,0|2,0,0]=4 3098 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,1]=3 3099 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,1]=3 3100 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,1]=3 3101 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 3102 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 3103 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 3104 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 3105 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 3106 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 3107 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3108 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3109 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3110 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 3111 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|2,0,0]=4 3112 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|2,0,0]=4 3113 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|2,0,0]=4 3114 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|2,0,0]=4 3115 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 3116 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 3117 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 3118 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|2,0,0]=4 3119 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|2,0,0]=4 3120 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 3121 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|2,0,0]=4 3122 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 3123 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|2,0,0]=4 3124 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|2,0,0]=4 3125 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 3126 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|2,0,0]=4 3127 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|2,0,0]=4 3128 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,1]=4 3129 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 3130 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 3131 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|2,0,0]=4 3132 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3133 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3134 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,1]=4 3135 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|2,0,0]=4 3137 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|2,0,0]=4 3138 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3139 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,1]=4 3140 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3141 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,1]=4 3142 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3143 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|2,0,0]=4 3144 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,1]=4 3145 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,1]=4 3146 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|2,0,0]=4 3147 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|2,0,0]=4 3148 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,1,0,0,0,0|2,0,0]=4 3149 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,1,0,0,0,0|2,0,0]=4 3150 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 3151 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 3152 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|2,0,0]=4 3153 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3154 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 3155 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3156 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,1]=4 3157 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,1]=4 3158 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|2,0,0]=4 3159 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|2,0,0]=4 3160 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3161 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,1]=4 3162 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3163 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 3164 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 3165 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 3166 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 3167 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|2,0,0]=4 3168 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,1]=4 3169 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|2,0,0]=4 3170 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|2,0,0]=4 3171 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|2,0,0]=4 3172 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|0,0,2]=4 3173 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,1,0,0,0,0|1,0,1]=4 3174 B8R0.3 C=CC(C)N(C)CCC 269982a_100000747261_100011215867 [1,1,0,0,0,0|2,0,0]=4 3175 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [1,1,0,0,0,0|2,0,0]=4 3176 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [1,1,0,0,0,0|2,0,0]=4 3177 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|0,0,2]=4 3178 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [1,1,0,0,0,0|2,0,0]=4 3179 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,1]=4 3180 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,1]=4 3181 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,1]=4 3182 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|0,0,1]=3 3183 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|0,0,1]=3 3184 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|1,0,1]=4 3185 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|1,0,1]=4 3186 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|0,0,2]=4 3187 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|0,0,2]=4 3188 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [1,1,0,0,0,0|2,0,0]=4 3189 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [1,1,0,0,0,0|2,0,0]=4 3190 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [1,1,0,0,0,0|2,0,0]=4 3191 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [1,1,0,0,0,0|2,0,0]=4 3192 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [1,1,0,0,0,0|2,0,0]=4 3193 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [1,1,0,0,0,0|2,0,0]=4 3194 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [1,1,0,0,0,0|2,0,0]=4 3195 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [1,1,0,0,0,0|2,0,0]=4 3196 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [1,1,0,0,0,0|1,0,0]=3 3197 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [1,1,0,0,0,0|1,0,0]=3 3198 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [1,1,0,0,0,0|1,0,0]=3 3199 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [1,1,0,0,0,0|1,0,0]=3 3200 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [1,1,0,0,0,0|1,0,0]=3 3201 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [1,1,0,0,0,0|2,0,0]=4 3202 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [1,1,0,0,0,0|0,0,2]=4 3203 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [1,1,0,0,0,0|0,0,2]=4 3204 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [1,1,0,0,0,0|0,0,2]=4 3205 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [1,1,0,0,0,0|0,0,2]=4 3206 B8R0.11 C=CC(C=C)OCCC 34a_100000033096_100000210303 [1,1,0,0,0,0|2,0,0]=4 3207 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [1,1,0,0,0,0|2,0,0]=4 3208 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [1,1,0,0,0,0|2,0,0]=4 3209 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|0,0,0]=2 3210 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|0,0,0]=2 3211 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|0,0,0]=2 3212 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|0,0,0]=2 3213 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [1,1,0,0,0,0|1,0,0]=3 3214 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|1,0,0]=3 3215 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [1,1,0,0,0,0|2,0,0]=4 3216 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [1,1,0,0,0,0|2,0,0]=4 3217 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [1,1,0,0,0,0|2,0,0]=4 3218 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [1,1,0,0,0,0|2,0,0]=4 3219 B8R0.11 C=C[C@@H](CO)NCOC 2230a_100016989147_100000766300 [1,1,0,0,0,0|2,0,0]=4 3220 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [1,1,0,0,0,0|2,0,0]=4 3221 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [1,1,0,0,0,0|2,0,0]=4 3222 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|0,0,2]=4 3223 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|0,0,2]=4 3224 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|0,0,2]=4 3225 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|0,0,2]=4 3226 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|0,0,2]=4 3227 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 3228 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 3230 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 3231 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|0,0,2]=4 3232 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|0,0,2]=4 3233 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|0,0,2]=4 3234 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|1,0,1]=4 3235 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [1,1,0,0,0,0|2,0,0]=4 3236 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [1,1,0,0,0,0|2,0,0]=4 3237 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [1,1,0,0,0,0|1,0,0]=3 3238 B8R0.25 C=CC(C)(C)OCCC 34a_100011215311_100000210303 [1,1,0,0,0,0|2,0,0]=4 3239 B8R0.25 C=CC(C)(C)OCCC 7a_100011215311_100000210303 [1,1,0,0,0,0|2,0,0]=4 3240 B8R0.25 C=CC(F)(F)SCCC 62a_100000210303_100009814244 [1,1,0,0,0,0|2,0,0]=4 3241 B8R0.25 C=CC(F)(F)SCCC 62a_100009814244_100000210303 [1,1,0,0,0,0|2,0,0]=4 3242 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|0,0,2]=4 3243 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|0,0,2]=4 3244 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,1,0,0,0,0|1,0,1]=4 3245 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,1,0,0,0,0|1,0,1]=4 3246 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,1,0,0,0,0|1,0,1]=4 3247 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,1,0,0,0,0|1,0,1]=4 3248 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,1,0,0,0,0|1,0,1]=4 3249 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,1,0,0,0,0|1,0,1]=4 3250 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|1,0,1]=4 3251 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|1,0,1]=4 3252 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [1,1,0,0,0,0|1,0,1]=4 3253 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [1,1,0,0,0,0|1,0,1]=4 3254 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [1,1,0,0,0,0|1,0,1]=4 3255 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [1,1,0,0,0,0|1,0,1]=4 3256 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,1]=4 3257 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|1,0,1]=4 3258 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|1,0,1]=4 3259 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|1,0,1]=4 3260 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [1,1,0,0,0,0|1,0,1]=4 3261 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [1,1,0,0,0,0|1,0,1]=4 3262 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [1,1,0,0,0,0|1,0,1]=4 3263 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [1,1,0,0,0,0|1,0,1]=4 3264 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|1,0,1]=4 3265 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|1,0,1]=4 3266 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,2]=4 3267 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [1,1,0,0,0,0|1,0,1]=4 3268 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,1,0,0,0,0|1,0,1]=4 3269 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,1,0,0,0,0|1,0,1]=4 3270 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,1,0,0,0,0|1,0,1]=4 3271 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,1,0,0,0,0|1,0,1]=4 3272 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,1,0,0,0,0|1,0,1]=4 3273 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,1,0,0,0,0|1,0,1]=4 3274 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,1,0,0,0,0|1,0,1]=4 3275 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,1,0,0,0,0|1,0,1]=4 3276 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,1,0,0,0,0|1,0,1]=4 3277 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,1,0,0,0,0|1,0,1]=4 3278 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,1,0,0,0,0|1,0,1]=4 3279 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,1,0,0,0,0|1,0,1]=4 3280 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,1,0,0,0,0|1,0,1]=4 3281 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [1,1,0,0,0,0|1,0,1]=4 3282 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,1,0,0,0,0|1,0,1]=4 3283 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,1,0,0,0,0|1,0,1]=4 3284 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,1,0,0,0,0|1,0,1]=4 3285 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,1,0,0,0,0|1,0,1]=4 3286 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,1,0,0,0,0|1,0,1]=4 3287 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,1,0,0,0,0|1,0,1]=4 3288 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,1,0,0,0,0|1,0,1]=4 3289 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,1,0,0,0,0|1,0,1]=4 3290 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [1,1,0,0,0,0|1,0,1]=4 3291 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [1,1,0,0,0,0|1,0,1]=4 3292 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [1,1,0,0,0,0|1,0,1]=4 3293 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [1,1,0,0,0,0|1,0,1]=4 3294 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [1,1,0,0,0,0|1,0,1]=4 3295 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [1,1,0,0,0,0|1,0,1]=4 3296 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [1,1,0,0,0,0|1,0,1]=4 3297 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [1,1,0,0,0,0|1,0,1]=4 3298 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [1,1,0,0,0,0|1,0,1]=4 3299 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [1,1,0,0,0,0|1,0,1]=4 3300 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [1,1,0,0,0,0|1,0,1]=4 3301 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [1,1,0,0,0,0|1,0,1]=4 3302 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [1,1,0,0,0,0|1,0,1]=4 3303 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [1,1,0,0,0,0|1,0,1]=4 3304 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [0,2,0,0,0,0|2,0,0]=4 3305 B10R0.3 C/C=C/C(C)OCCC(C)O 34a_200102604097_100012276601 [0,2,0,0,0,0|2,0,0]=4 3306 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|0,0,2]=4 3307 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|0,0,2]=4 3308 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|0,0,2]=4 3309 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [0,2,0,0,0,0|2,0,0]=4 3310 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [0,2,0,0,0,0|2,0,0]=4 3311 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [0,2,0,0,0,0|2,0,0]=4 3312 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [0,2,0,0,0,0|2,0,0]=4 3313 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [0,2,0,0,0,0|2,0,0]=4 3314 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [0,2,0,0,0,0|2,0,0]=4 3315 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [0,2,0,0,0,0|2,0,0]=4 3316 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [0,2,0,0,0,0|2,0,0]=4 3317 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,2,0,0,0,0|2,0,0]=4 3318 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,2,0,0,0,0|2,0,0]=4 3319 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,2,0,0,0,0|2,0,0]=4 3320 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,2,0,0,0,0|2,0,0]=4 3321 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [0,2,0,0,0,0|2,0,0]=4 3322 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [0,2,0,0,0,0|2,0,0]=4 3323 B10R0.3 C=CC[C@@H](N)COCC(C)C 34a_100020615467_100000210624 [0,2,0,0,0,0|2,0,0]=4 3324 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [0,2,0,0,0,0|2,0,0]=4 3325 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [0,2,0,0,0,0|2,0,0]=4 3326 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|0,0,2]=4 3327 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|0,0,2]=4 3328 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|0,0,2]=4 3329 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,2,0,0,0,0|0,0,2]=4 3330 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,2,0,0,0,0|0,0,2]=4 3331 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,2,0,0,0,0|0,0,2]=4 3332 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|0,0,2]=4 3333 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|0,0,2]=4 3334 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,2,0,0,0,0|1,0,1]=4 3335 B10R0.44 C=CC(C)CC(=O)CC(C)O 1458a_100011934298_100011218427 [0,2,0,0,0,0|1,0,1]=4 3336 B10R0.44 C=CC(C)OC(C)CC(C)C 34a_100000695699_100000731052 [0,2,0,0,0,0|2,0,0]=4 3337 B10R0.44 C=CC(C)SC(C)CC(C)C 62a_100011215867_100000731052 [0,2,0,0,0,0|2,0,0]=4 3338 B10R0.44 C=CC(O)CN(C)CC(=C)C 2230a_100000225649_100000730141 [0,2,0,0,0,0|1,0,1]=4 3339 B10R0.44 C=CC(O)CN(C)CC(C)C 2230a_100000747067_100000730141 [0,2,0,0,0,0|1,0,0]=3 3340 B10R0.44 C=CC(O)CN(C)CC(C)O 2230a_100000227577_100000730141 [0,2,0,0,0,0|1,0,0]=3 3341 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|0,0,2]=4 3342 B10R0.57 C=CC(C)C(=O)CCC(C)C 1458a_100011216780_100000210312 [0,2,0,0,0,0|1,0,1]=4 3343 B10R0.57 C=CC(C)C(=O)CCC(C)O 1458a_100011216780_100012276601 [0,2,0,0,0,0|1,0,1]=4 3344 B10R0.57 C=CC(C)N(C)CCC(C)C 269982a_100000742789_100011215867 [0,2,0,0,0,0|2,0,0]=4 3345 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)C 34a_100015455354_100000210624 [0,2,0,0,0,0|2,0,0]=4 3346 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)C 7a_100015455354_100000210760 [0,2,0,0,0,0|2,0,0]=4 3347 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)O 34a_100015455354_100011218427 [0,2,0,0,0,0|2,0,0]=4 3348 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)O 7a_100015455354_100011218427 [0,2,0,0,0,0|2,0,0]=4 3349 B10R0.57 C=C[C@@H](C)[C@@H](C)OC[C@@H](C)O 34a_100015455354_100009817552 [0,2,0,0,0,0|2,0,0]=4 3350 B10R0.57 C=C[C@@H](C)[C@@H](C)OC[C@@H](C)O 7a_100015455354_100009817552 [0,2,0,0,0,0|2,0,0]=4 3351 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,2,0,0,0,0|0,0,2]=4 3352 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|0,0,2]=4 3353 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|0,0,2]=4 3354 B10R0.59 C=CC(C)COCC(=O)CC 7a_100011215527_100000747405 [0,2,0,0,0,0|1,0,1]=4 3355 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [0,2,0,0,0,0|1,0,0]=3 3356 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [0,2,0,0,0,0|1,0,0]=3 3357 B10R0.59 C=CC(C)COCC(O)C=C 34a_100011215527_100000730141 [0,2,0,0,0,0|1,0,0]=3 3358 B10R0.59 C=CC(C)COCC(O)C=C 7a_100011215527_100000730141 [0,2,0,0,0,0|1,0,0]=3 3359 B10R0.59 C=CC(C)COCC(O)CC 34a_100011215527_100011218378 [0,2,0,0,0,0|1,0,0]=3 3360 B10R0.59 C=CC(C)COCC(O)CC 7a_100011215527_100011218378 [0,2,0,0,0,0|1,0,0]=3 3361 B10R0.59 C=CC(C)COCC(O)CO 34a_100011215527_100011219619 [0,2,0,0,0,0|2,0,0]=4 3362 B10R0.59 C=CC(C)COCC(O)CO 7a_100011215527_100011219619 [0,2,0,0,0,0|2,0,0]=4 3363 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [0,2,0,0,0,0|1,0,0]=3 3364 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [0,2,0,0,0,0|1,0,0]=3 3365 B10R0.59 C=CC(C)COC[C@@H](C)CO 34a_100011215527_100000059175 [0,2,0,0,0,0|2,0,0]=4 3366 B10R0.59 C=CC(C)COC[C@@H](C)CO 7a_100011215527_100000059175 [0,2,0,0,0,0|2,0,0]=4 3367 B10R0.59 C=CC(C)COC[C@@H](O)CF 34a_100011215527_100015614560 [0,2,0,0,0,0|2,0,0]=4 3368 B10R0.59 C=CC(C)COC[C@@H](O)CF 7a_100011215527_100015614560 [0,2,0,0,0,0|2,0,0]=4 3369 B10R0.59 C=CC(C)COC[C@@H](O)CO 34a_100011215527_100009815848 [0,2,0,0,0,0|2,0,0]=4 3370 B10R0.59 C=CC(C)COC[C@@H](O)CO 7a_100011215527_100009815848 [0,2,0,0,0,0|2,0,0]=4 3371 B10R0.59 C=CC(O)CNCC(=O)NC 2230a_100000693194_100000730141 [0,2,0,0,0,0|1,0,1]=4 3372 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [0,2,0,0,0,0|0,0,0]=2 3373 B10R0.59 C=CC(O)CNCC(C)CO 34a_100000744482_100000730141 [0,2,0,0,0,0|1,0,0]=3 3374 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [0,2,0,0,0,0|0,0,0]=2 3375 B10R0.59 C=CC(O)CNC[C@@H](C)OC 2230a_100020591295_100000730141 [0,2,0,0,0,0|1,0,0]=3 3376 B10R0.59 C=CC(O)CNC[C@@H](F)CO 34a_100015665980_100000730141 [0,2,0,0,0,0|1,0,0]=3 3377 B10R0.59 C=CC(O)CNC[C@H](O)CO 2230a_100020644852_100000730141 [0,2,0,0,0,0|1,0,0]=3 3378 B10R0.59 C=CC(O)COCC(=O)CC 34a_100000725409_100000730141 [0,2,0,0,0,0|0,0,1]=3 3379 B10R0.59 C=CC(O)COCC(=O)NC 34a_100000750040_100000730141 [0,2,0,0,0,0|1,0,1]=4 3380 B10R0.59 C=CC(O)COCC(C)CN 34a_100000744482_100000730141 [0,2,0,0,0,0|1,0,0]=3 3381 B10R0.59 C=CC(O)COCC(C)OC 34a_100000690652_100000730141 [0,2,0,0,0,0|1,0,0]=3 3382 B10R0.59 C=CC(O)COCC(Cl)CCl 34a_100000033668_100000730141 [0,2,0,0,0,0|1,0,0]=3 3383 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [0,2,0,0,0,0|0,0,0]=2 3384 B10R0.59 C=CC(O)COC[C@@H](N)C=C 34a_100016989147_100000730141 [0,2,0,0,0,0|0,0,2]=4 3385 B10R0.59 C=CC(O)COC[C@H](F)CN 34a_100015665980_100000730141 [0,2,0,0,0,0|1,0,0]=3 3386 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000730141_100000747405 [0,2,0,0,0,0|0,0,1]=3 3387 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000747405_100000730141 [0,2,0,0,0,0|0,0,1]=3 3388 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000183359_100000730141 [0,2,0,0,0,0|1,0,1]=4 3389 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000730141_100000183359 [0,2,0,0,0,0|1,0,1]=4 3390 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000730141_100000747449 [0,2,0,0,0,0|1,0,1]=4 3391 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000747449_100000730141 [0,2,0,0,0,0|1,0,1]=4 3392 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [0,2,0,0,0,0|0,0,0]=2 3393 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [0,2,0,0,0,0|0,0,0]=2 3394 B10R0.59 C=CC(O)CSCC(O)C=C 62a_100000730141_100000730141 [0,2,0,0,0,0|0,0,2]=4 3395 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [0,2,0,0,0,0|0,0,0]=2 3396 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [0,2,0,0,0,0|0,0,0]=2 3397 B10R0.59 C=CC(O)CSCC(O)CO 62a_100000730141_100011219619 [0,2,0,0,0,0|1,0,0]=3 3398 B10R0.59 C=CC(O)CSCC(O)CO 62a_100011219619_100000730141 [0,2,0,0,0,0|1,0,0]=3 3399 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [0,2,0,0,0,0|0,0,0]=2 3400 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [0,2,0,0,0,0|0,0,0]=2 3401 B10R0.59 C=CC(O)CSC[C@@H](C)CO 62a_100000059175_100000730141 [0,2,0,0,0,0|1,0,0]=3 3402 B10R0.59 C=CC(O)CSC[C@@H](C)CO 62a_100000730141_100000059175 [0,2,0,0,0,0|1,0,0]=3 3403 B10R0.59 C=CC(O)CSC[C@@H](O)CF 62a_100000730141_100015614560 [0,2,0,0,0,0|1,0,0]=3 3404 B10R0.59 C=CC(O)CSC[C@@H](O)CF 62a_100015614560_100000730141 [0,2,0,0,0,0|1,0,0]=3 3405 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100000730141_100009815848 [0,2,0,0,0,0|1,0,0]=3 3406 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100009815848_100000730141 [0,2,0,0,0,0|1,0,0]=3 3407 B10R0.59 C=C[C@H](N)COCC(C)CC 34a_100016989147_100000748023 [0,2,0,0,0,0|1,0,0]=3 3408 B10R0.59 C=C[C@H](N)COCC(O)CC 34a_100016989147_100011218378 [0,2,0,0,0,0|1,0,0]=3 3409 B10R0.59 C=C[C@H](N)COCC(O)CO 34a_100016989147_100011219619 [0,2,0,0,0,0|2,0,0]=4 3410 B10R0.59 C=C[C@H](N)COC[C@@H](C)CC 34a_100016989147_100009816398 [0,2,0,0,0,0|1,0,0]=3 3411 B10R0.59 C=C[C@H](N)COC[C@@H](C)CO 34a_100016989147_100000059175 [0,2,0,0,0,0|2,0,0]=4 3412 B10R0.59 C=C[C@H](N)COC[C@@H](O)CF 34a_100016989147_100015614560 [0,2,0,0,0,0|2,0,0]=4 3413 B10R0.59 C=C[C@H](N)COC[C@@H](O)CO 34a_100016989147_100009815848 [0,2,0,0,0,0|2,0,0]=4 3414 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,2,0,0,0,0|0,0,2]=4 3415 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,2,0,0,0,0|0,0,2]=4 3416 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,2,0,0,0,0|0,0,2]=4 3417 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [0,2,0,0,0,0|1,0,1]=4 3418 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [0,2,0,0,0,0|1,0,1]=4 3419 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [0,2,0,0,0,0|1,0,1]=4 3420 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [0,2,0,0,0,0|1,0,1]=4 3421 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [0,2,0,0,0,0|0,0,2]=4 3422 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [0,2,0,0,0,0|0,0,2]=4 3423 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [0,2,0,0,0,0|1,0,1]=4 3424 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [0,2,0,0,0,0|1,0,1]=4 3425 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100000748023_100015614560 [0,2,0,0,0,0|1,0,1]=4 3426 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100015614560_100000748023 [0,2,0,0,0,0|1,0,1]=4 3427 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [0,2,0,0,0,0|1,0,1]=4 3428 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [0,2,0,0,0,0|1,0,1]=4 3429 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,2,0,0,0,0|0,0,2]=4 3430 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,2,0,0,0,0|1,0,1]=4 3431 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,2,0,0,0,0|0,0,2]=4 3432 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [0,2,0,0,0,0|1,0,1]=4 3433 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,2,0,0,0,0|1,0,1]=4 3434 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,2,0,0,0,0|1,0,1]=4 3435 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,2,0,0,0,0|0,0,2]=4 3436 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,2,0,0,0,0|0,0,2]=4 3437 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,2,0,0,0,0|1,0,1]=4 3438 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,2,0,0,0,0|1,0,1]=4 3439 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [0,2,0,0,0,0|0,0,2]=4 3440 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [0,2,0,0,0,0|0,0,2]=4 3441 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100011218378_100015614560 [0,2,0,0,0,0|1,0,1]=4 3442 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100015614560_100011218378 [0,2,0,0,0,0|1,0,1]=4 3443 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,2,0,0,0,0|1,0,1]=4 3444 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,2,0,0,0,0|1,0,1]=4 3445 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [0,2,0,0,0,0|1,0,1]=4 3446 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,2,0,0,0,0|1,0,1]=4 3447 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [0,2,0,0,0,0|1,0,1]=4 3448 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,2,0,0,0,0|1,0,1]=4 3449 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [0,2,0,0,0,0|1,0,1]=4 3450 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [0,2,0,0,0,0|1,0,1]=4 3451 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100009816398_100015614560 [0,2,0,0,0,0|1,0,1]=4 3452 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100015614560_100009816398 [0,2,0,0,0,0|1,0,1]=4 3453 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [0,2,0,0,0,0|1,0,1]=4 3454 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [0,2,0,0,0,0|1,0,1]=4 3455 B10R0.60 C=CC(C)COCC(C)(C)C 34a_100011215527_100011219605 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.60 C=CC(C)COCC(C)(C)F 34a_100011215527_100011997219 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.60 C=CC(C)COCC(C)(C)O 34a_100011215527_100000764493 [0,2,0,0,0,0|2,0,0]=4 3458 B10R0.60 C=CC(C)COCC(C)(C)O 7a_100011215527_100000764493 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.60 C=CC(C)OCCC(C)(C)C 34a_100000695699_100000755188 [0,2,0,0,0,0|2,0,0]=4 3460 B10R0.60 C=CC(C)OCCC(C)(C)O 34a_100000695699_100000702414 [0,2,0,0,0,0|2,0,0]=4 3461 B10R0.60 C=CC(C)SCCC(C)(C)C 62a_100011215867_100000755188 [0,2,0,0,0,0|2,0,0]=4 3462 B10R0.60 C=CC(C)SCCC(C)(C)O 62a_100011215867_100000702414 [0,2,0,0,0,0|2,0,0]=4 3463 B10R0.60 C=CC(O)CNCC(C)(C)C 2230a_100000743828_100000730141 [0,2,0,0,0,0|1,0,0]=3 3464 B10R0.60 C=CC(O)CNCC(C)(C)F 2230a_100020643315_100000730141 [0,2,0,0,0,0|1,0,0]=3 3465 B10R0.60 C=CC(O)CNCC(C)(C)O 2230a_100000751335_100000730141 [0,2,0,0,0,0|1,0,0]=3 3466 B10R0.60 C=CC(O)CNCC(F)(F)F 34a_100000717047_100000730141 [0,2,0,0,0,0|2,0,0]=4 3467 B10R0.60 C=CC(O)COCC(C)(C)F 34a_100000716592_100000730141 [0,2,0,0,0,0|1,0,0]=3 3468 B10R0.60 C=CC(O)COCC(C)(F)F 34a_100000068830_100000730141 [0,2,0,0,0,0|1,0,0]=3 3469 B10R0.60 C=CC(O)COCC(F)(F)Br 34a_100011217949_100000730141 [0,2,0,0,0,0|2,0,0]=4 3470 B10R0.60 C=CC(O)COCC(F)(F)Cl 34a_100000734434_100000730141 [0,2,0,0,0,0|2,0,0]=4 3471 B10R0.60 C=CC(O)COCC(F)(F)F 34a_100000210435_100000730141 [0,2,0,0,0,0|2,0,0]=4 3472 B10R0.60 C=CC(O)CSCC(C)(C)C 62a_100000730141_100011219605 [0,2,0,0,0,0|1,0,0]=3 3473 B10R0.60 C=CC(O)CSCC(C)(C)C 62a_100011219605_100000730141 [0,2,0,0,0,0|1,0,0]=3 3474 B10R0.60 C=CC(O)CSCC(C)(C)F 62a_100000730141_100011997219 [0,2,0,0,0,0|1,0,0]=3 3475 B10R0.60 C=CC(O)CSCC(C)(C)F 62a_100011997219_100000730141 [0,2,0,0,0,0|1,0,0]=3 3476 B10R0.60 C=CC(O)CSCC(C)(C)O 62a_100000730141_100000764493 [0,2,0,0,0,0|1,0,0]=3 3477 B10R0.60 C=CC(O)CSCC(C)(C)O 62a_100000764493_100000730141 [0,2,0,0,0,0|1,0,0]=3 3478 B10R0.60 C=CC(O)CSCC(F)(F)F 62a_100000730141_100000763148 [0,2,0,0,0,0|2,0,0]=4 3479 B10R0.60 C=CC(O)CSCC(F)(F)F 62a_100000763148_100000730141 [0,2,0,0,0,0|2,0,0]=4 3480 B10R0.60 C=CC(O)CSC[N+](C)(C)C 62a_100000730141_200000036245 [0,2,0,0,0,0|2,0,0]=4 3481 B10R0.60 C=CC(O)CSC[N+](C)(C)C 62a_200000036245_100000730141 [0,2,0,0,0,0|2,0,0]=4 3482 B10R0.60 C=CC(O)CSC[Si](C)(C)C 62a_100000037933_100000730141 [0,2,0,0,0,0|1,1,0]=4 3483 B10R0.60 C=CC(O)CSC[Si](C)(C)C 62a_100000730141_100000037933 [0,2,0,0,0,0|1,1,0]=4 3484 B10R0.60 C=C[C@H](N)COCC(C)(C)C 34a_100016989147_100011219605 [0,2,0,0,0,0|2,0,0]=4 3485 B10R0.60 C=C[C@H](N)COCC(C)(C)F 34a_100016989147_100011997219 [0,2,0,0,0,0|2,0,0]=4 3486 B10R0.60 C=C[C@H](N)COCC(C)(C)O 34a_100016989147_100000764493 [0,2,0,0,0,0|2,0,0]=4 3487 B10R0.65 C=CC(C)(C)OCCC(C)C 34a_100011215311_100000210312 [0,2,0,0,0,0|2,0,0]=4 3488 B10R0.65 C=CC(C)(C)OCCC(C)C 7a_100011215311_100000210626 [0,2,0,0,0,0|2,0,0]=4 3489 B10R0.65 C=CC(C)(C)OCCC(C)O 34a_100011215311_100012276601 [0,2,0,0,0,0|2,0,0]=4 3490 B10R0.65 C=CC(C)(C)OCCC(C)O 7a_100011215311_100012276601 [0,2,0,0,0,0|2,0,0]=4 3491 B10R0.65 C=CC(F)(F)SCCC(C)C 62a_100000210312_100009814244 [0,2,0,0,0,0|2,0,0]=4 3492 B10R0.65 C=CC(F)(F)SCCC(C)C 62a_100009814244_100000210312 [0,2,0,0,0,0|2,0,0]=4 3493 B10R0.65 C=CC(F)(F)SCCC(C)O 62a_100009814244_100012276601 [0,2,0,0,0,0|2,0,0]=4 3494 B10R0.65 C=CC(F)(F)SCCC(C)O 62a_100012276601_100009814244 [0,2,0,0,0,0|2,0,0]=4 3495 B10R0.77 C=CC(C=C)OCCC(C)C 34a_100000033096_100000210312 [0,2,0,0,0,0|2,0,0]=4 3496 B10R0.77 C=CC(C=C)OCCC(C)O 34a_100000033096_100012276601 [0,2,0,0,0,0|2,0,0]=4 3497 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [0,2,0,0,0,0|2,0,0]=4 3498 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [0,2,0,0,0,0|2,0,0]=4 3499 B10R0.77 C=CC(CC)OCCC(C)O 34a_100000766422_100012276601 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.77 C=CC(CC)OCCC(C)O 7a_100000766422_100012276601 [0,2,0,0,0,0|2,0,0]=4 3501 B10R0.77 C=C[C@@H](CO)NCCC(=C)C 2230a_100016989147_100000730704 [0,2,0,0,0,0|1,0,1]=4 3502 B10R0.77 C=C[C@@H](CO)NCCC(=C)C 34a_100016989147_100000730704 [0,2,0,0,0,0|1,0,1]=4 3503 B10R0.77 C=C[C@@H](CO)NCCC(C)C 2230a_100016989147_100000210312 [0,2,0,0,0,0|1,0,0]=3 3504 B10R0.77 C=C[C@@H](CO)NCCC(C)C 269862a_100016989147_100000185833 [0,2,0,0,0,0|1,0,0]=3 3505 B10R0.77 C=C[C@@H](CO)NCCC(C)C 34a_100016989147_100000210312 [0,2,0,0,0,0|1,0,0]=3 3506 B10R0.77 C=C[C@@H](CO)NCCC(C)O 2230a_100016989147_100012276601 [0,2,0,0,0,0|1,0,0]=3 3507 B10R0.77 C=C[C@@H](CO)NCCC(C)O 34a_100016989147_100012276601 [0,2,0,0,0,0|1,0,0]=3 3508 B10R0.77 C=C[C@@H](CO)NCOC(C)C 2230a_100016989147_100000709892 [0,2,0,0,0,0|2,0,0]=4 3509 B10R0.77 C=C[C@@H](CO)NCOC(C)C 34a_100016989147_100000709892 [0,2,0,0,0,0|2,0,0]=4 3510 B10R0.82 C=C(C)C(C)NCC(C)CC 269862a_100020588543_100011216138 [0,2,0,0,0,0|2,0,0]=4 3511 B10R0.82 C=C(C)C(C)NCC(O)CC 269862a_100011218483_100011216138 [0,2,0,0,0,0|2,0,0]=4 3512 B10R0.82 C=CC(O)CNC(C)C(C)C 2230a_100000211541_100000730141 [0,2,0,0,0,0|1,0,0]=3 3513 B10R0.82 C=CC(O)COC(C)C(=O)C 34a_100000212229_100000730141 [0,2,0,0,0,0|1,0,1]=4 3514 B10R0.82 C=CC(O)COC(C)C(C)C 7a_100000748068_100000730141 [0,2,0,0,0,0|1,0,0]=3 3515 B10R0.82 C=CC(O)CSC(C)C(=O)C 62a_100000730141_100009814033 [0,2,0,0,0,0|1,0,1]=4 3516 B10R0.82 C=CC(O)CSC(C)C(=O)C 62a_100009814033_100000730141 [0,2,0,0,0,0|1,0,1]=4 3517 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|0,0,2]=4 3518 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|0,0,2]=4 3519 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [0,2,0,0,0,0|2,0,0]=4 3520 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,2,0,0,0,0|1,0,0]=3 3522 B10R0.1 C/C=C/C(C)OCCCCF 34a_200102604097_100000729493 [0,2,0,0,0,0|2,0,0]=4 3523 B10R0.1 C/C=C/C(C)OCCCCO 34a_200102604097_100011216708 [0,2,0,0,0,0|2,0,0]=4 3524 B10R0.1 C/C=C/C(C)OCCCOC 34a_200102604097_100000740836 [0,2,0,0,0,0|2,0,0]=4 3525 B10R0.1 C/C=C/C(C)OCCOCC 34a_200102604097_100000210147 [0,2,0,0,0,0|2,0,0]=4 3526 B10R0.1 C/C=C/C(C)OCCSCC 34a_200102604097_100000757381 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|0,0,2]=4 3528 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|0,0,2]=4 3529 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|0,0,2]=4 3530 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|0,0,2]=4 3531 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|0,0,2]=4 3532 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|0,0,2]=4 3533 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|0,0,2]=4 3534 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|0,0,2]=4 3535 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|0,0,2]=4 3536 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|0,0,2]=4 3537 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|0,0,2]=4 3538 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 3539 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 3540 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 3541 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 3542 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,2,0,0,0,0|1,0,0]=3 3543 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,2,0,0,0,0|1,0,0]=3 3544 B10R0.1 C=CCC(C)COCCCF 34a_100009832082_100011934791 [0,2,0,0,0,0|2,0,0]=4 3545 B10R0.1 C=CCC(C)COCCCF 7a_100009832082_100011934791 [0,2,0,0,0,0|2,0,0]=4 3546 B10R0.1 C=CCC(C)COCCCO 34a_100009832082_100000230001 [0,2,0,0,0,0|2,0,0]=4 3547 B10R0.1 C=CCC(C)COCCCO 7a_100009832082_100011215043 [0,2,0,0,0,0|2,0,0]=4 3548 B10R0.1 C=CCC(C)COCCOC 34a_100009832082_100011201679 [0,2,0,0,0,0|2,0,0]=4 3549 B10R0.1 C=CCC(C)COCCOC 7a_100009832082_100000233755 [0,2,0,0,0,0|2,0,0]=4 3550 B10R0.1 C=CCC(C)COCCSC 34a_100009832082_100000212216 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.1 C=CCC(C)COCCSC 7a_100009832082_100000212216 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 3554 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 3556 B10R0.1 C=CCN(C)CCCCCF 2230a_100000225617_100000729378 [0,2,0,0,0,0|2,0,0]=4 3557 B10R0.1 C=CCN(C)CCCCCF 269982a_100000225617_100000729378 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [0,2,0,0,0,0|2,0,0]=4 3559 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [0,2,0,0,0,0|2,0,0]=4 3560 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [0,2,0,0,0,0|2,0,0]=4 3561 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [0,2,0,0,0,0|2,0,0]=4 3562 B10R0.1 C=CCN(C)CCCCOC 2230a_100000225617_100000730899 [0,2,0,0,0,0|2,0,0]=4 3563 B10R0.1 C=CCN(C)CCCCOC 269982a_100000225617_100000730899 [0,2,0,0,0,0|2,0,0]=4 3564 B10R0.1 C=CCN(C)CCCOCC 2230a_100000225617_100012232248 [0,2,0,0,0,0|2,0,0]=4 3565 B10R0.1 C=CCN(C)CCCOCC 269982a_100000225617_100012232248 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.1 C=CCN(C)CCOCCC 2230a_100000225617_100011215938 [0,2,0,0,0,0|2,0,0]=4 3567 B10R0.1 C=CCN(C)CCOCCC 269982a_100000225617_100011215938 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [0,2,0,0,0,0|2,0,0]=4 3570 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,2,0,0,0,0|1,0,0]=3 3571 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,2,0,0,0,0|1,0,0]=3 3572 B10R0.1 C=CC[C@@H](C)OCCCCF 34a_100000731007_100000729493 [0,2,0,0,0,0|2,0,0]=4 3573 B10R0.1 C=CC[C@@H](C)OCCCCF 7a_100000731007_100000729493 [0,2,0,0,0,0|2,0,0]=4 3574 B10R0.1 C=CC[C@@H](C)OCCCCO 34a_100000731007_100011216708 [0,2,0,0,0,0|2,0,0]=4 3575 B10R0.1 C=CC[C@@H](C)OCCCCO 7a_100000731007_100000210776 [0,2,0,0,0,0|2,0,0]=4 3576 B10R0.1 C=CC[C@@H](C)OCCCOC 34a_100000731007_100000740836 [0,2,0,0,0,0|2,0,0]=4 3577 B10R0.1 C=CC[C@@H](C)OCCCOC 7a_100000731007_100000740836 [0,2,0,0,0,0|2,0,0]=4 3578 B10R0.1 C=CC[C@@H](C)OCCOCC 34a_100000731007_100000210147 [0,2,0,0,0,0|2,0,0]=4 3579 B10R0.1 C=CC[C@@H](C)OCCOCC 7a_100000731007_100011215890 [0,2,0,0,0,0|2,0,0]=4 3580 B10R0.1 C=CC[C@@H](C)OCCSCC 34a_100000731007_100000757381 [0,2,0,0,0,0|2,0,0]=4 3581 B10R0.1 C=CC[C@@H](C)OCCSCC 7a_100000731007_100000757381 [0,2,0,0,0,0|2,0,0]=4 3582 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,2,0,0,0,0|1,0,0]=3 3583 B10R0.1 C=CC[C@@H](N)COCCCF 34a_100020615467_100011934791 [0,2,0,0,0,0|2,0,0]=4 3584 B10R0.1 C=CC[C@@H](N)COCCCO 34a_100020615467_100000230001 [0,2,0,0,0,0|2,0,0]=4 3585 B10R0.1 C=CC[C@@H](N)COCCOC 34a_100020615467_100011201679 [0,2,0,0,0,0|2,0,0]=4 3586 B10R0.1 C=CC[C@@H](N)COCCSC 34a_100020615467_100000212216 [0,2,0,0,0,0|2,0,0]=4 3587 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|0,0,2]=4 3588 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|0,0,2]=4 3589 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|0,0,2]=4 3590 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|0,0,2]=4 3591 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|0,0,2]=4 3592 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|0,0,2]=4 3593 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|0,0,2]=4 3594 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|0,0,2]=4 3595 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|0,0,2]=4 3596 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|0,0,2]=4 3597 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|0,0,2]=4 3598 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|0,0,2]=4 3599 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|0,0,2]=4 3600 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|0,0,2]=4 3601 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|0,0,2]=4 3602 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|0,0,2]=4 3603 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|0,0,2]=4 3604 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|0,0,2]=4 3605 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|0,0,2]=4 3606 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|0,0,2]=4 3607 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|0,0,2]=4 3608 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|0,0,2]=4 3609 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|0,0,2]=4 3610 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|0,0,2]=4 3611 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|0,0,2]=4 3612 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|0,0,2]=4 3613 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,2,0,0,0,0|0,0,2]=4 3614 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,2,0,0,0,0|0,0,2]=4 3615 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|0,0,2]=4 3616 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|0,0,2]=4 3617 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|0,0,2]=4 3618 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|0,0,2]=4 3619 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|0,0,2]=4 3620 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,2,0,0,0,0|0,0,2]=4 3621 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|0,0,2]=4 3622 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|0,0,2]=4 3623 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,2,0,0,0,0|0,0,2]=4 3624 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,2,0,0,0,0|0,0,2]=4 3625 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|0,0,2]=4 3626 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|0,0,2]=4 3627 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|0,0,2]=4 3628 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|0,0,2]=4 3629 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|0,0,2]=4 3630 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|0,0,2]=4 3631 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|0,0,2]=4 3632 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|0,0,2]=4 3633 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|0,0,2]=4 3634 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|0,0,2]=4 3635 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|0,0,2]=4 3636 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|0,0,2]=4 3637 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|0,0,2]=4 3638 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|0,0,2]=4 3639 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|0,0,2]=4 3640 B10R0.2 C/C=C/C(C)OC(C)CCC 34a_200102604097_100000766640 [0,2,0,0,0,0|2,0,0]=4 3641 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,2,0,0,0,0|0,0,2]=4 3642 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,2,0,0,0,0|0,0,2]=4 3643 B10R0.2 C=CCN(C)CC(C)CCC 2230a_100000225617_100011216630 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.2 C=CCN(C)CC(C)CCC 269982a_100000225617_100011216630 [0,2,0,0,0,0|2,0,0]=4 3645 B10R0.2 C=CCN(C)CC(C)CCC 270004a_100000225617_100000243154 [0,2,0,0,0,0|2,0,0]=4 3646 B10R0.2 C=CC[C@@H](C)OC(C)CCC 34a_100000731007_100000766640 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.2 C=CC[C@@H](C)OC(C)CCC 7a_100000731007_100000766640 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|0,0,2]=4 3649 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,2,0,0,0,0|0,0,2]=4 3650 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,2,0,0,0,0|0,0,2]=4 3651 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,2,0,0,0,0|0,0,2]=4 3652 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|0,0,2]=4 3653 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 3654 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|2,0,0]=4 3655 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 3656 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|2,0,0]=4 3657 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|0,0,2]=4 3658 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 3659 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 3660 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|0,0,2]=4 3661 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|0,0,2]=4 3662 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|0,0,2]=4 3663 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,2,0,0,0,0|0,0,2]=4 3664 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|1,0,1]=4 3665 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|1,0,1]=4 3666 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|1,0,1]=4 3667 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|1,0,1]=4 3668 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,2,0,0,0,0|2,0,0]=4 3669 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|1,0,1]=4 3670 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|0,0,2]=4 3671 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|0,0,2]=4 3672 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|0,0,2]=4 3673 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|1,0,1]=4 3674 B10R0.19 C=CCN(C)C(C)CCCC 2230a_100000225617_200011215066 [0,2,0,0,0,0|2,0,0]=4 3675 B10R0.19 C=CCN(C)C(C)CCCC 269982a_100000225617_200011215066 [0,2,0,0,0,0|2,0,0]=4 3676 B10R0.19 C=CCN(C)C(C)CCCC 270004a_100000225617_100000210087 [0,2,0,0,0,0|2,0,0]=4 3677 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|0,0,2]=4 3678 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|0,0,2]=4 3679 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|0,0,2]=4 3680 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|0,0,2]=4 3681 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [0,2,0,0,0,0|0,0,2]=4 3682 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [0,2,0,0,0,0|0,0,2]=4 3683 B10R0.24 C#CC(CCCCC)OCF 34a_100011216489_100015361967 [0,2,0,0,0,0|0,0,2]=4 3684 B10R0.24 C#CC(CCCCC)OCF 7a_100011216489_100015361967 [0,2,0,0,0,0|0,0,2]=4 3685 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [0,2,0,0,0,0|2,0,0]=4 3686 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [0,2,0,0,0,0|2,0,0]=4 3687 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,2,0,0,0,0|0,0,0]=2 3688 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,2,0,0,0,0|0,0,0]=2 3689 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [0,2,0,0,0,0|0,0,0]=2 3690 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [0,2,0,0,0,0|0,0,0]=2 3691 B10R0.24 C=CCC(C=C)OCCCC 34a_100000038011_100000210210 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.24 C=CCC(C=C)OCCCC 7a_100000038011_100000210211 [0,2,0,0,0,0|2,0,0]=4 3693 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,2,0,0,0,0|0,0,0]=2 3694 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,2,0,0,0,0|0,0,0]=2 3695 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,2,0,0,0,0|0,0,0]=2 3696 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,2,0,0,0,0|0,0,0]=2 3697 B10R0.24 C=CC[C@H](CO)NCCCC 2230a_100020615467_100000210211 [0,2,0,0,0,0|1,0,0]=3 3698 B10R0.24 C=CC[C@H](CO)NCCCF 2230a_100020615467_100011934791 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.24 C=CC[C@H](CO)NCCCO 2230a_100020615467_100000230001 [0,2,0,0,0,0|2,0,0]=4 3700 B10R0.24 C=CC[C@H](CO)NCCOC 2230a_100020615467_100011201679 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.24 C=CC[C@H](CO)NCCSC 2230a_100020615467_100000751147 [0,2,0,0,0,0|2,0,0]=4 3702 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,2,0,0,0,0|0,0,2]=4 3703 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,2,0,0,0,0|0,0,2]=4 3704 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,2,0,0,0,0|0,0,2]=4 3705 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,2,0,0,0,0|0,0,2]=4 3706 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,2,0,0,0,0|0,0,2]=4 3707 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,2,0,0,0,0|0,0,2]=4 3708 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,2,0,0,0,0|0,0,2]=4 3709 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,2,0,0,0,0|0,0,2]=4 3710 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|1,0,1]=4 3711 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|0,0,2]=4 3712 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,2,0,0,0,0|2,0,0]=4 3713 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|1,0,0]=3 3714 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,2,0,0,0,0|0,0,2]=4 3715 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,2,0,0,0,0|0,0,2]=4 3716 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|1,0,0]=3 3717 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,2,0,0,0,0|1,0,1]=4 3718 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|1,0,1]=4 3719 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|1,0,1]=4 3720 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|1,0,1]=4 3721 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,2,0,0,0,0|1,0,1]=4 3722 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 3723 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 3724 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 3725 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 3726 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [0,2,0,0,0,0|1,0,0]=3 3727 B10R0.83 C=CC(C)N(C)CCCCO 269982a_100000717598_100011215867 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.83 C=CC(C)N(C)CCCOC 269982a_100000224831_100011215867 [0,2,0,0,0,0|2,0,0]=4 3729 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 34a_100015455354_100000210210 [0,2,0,0,0,0|1,0,0]=3 3730 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7a_100015455354_100000210211 [0,2,0,0,0,0|1,0,0]=3 3731 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCF 34a_100015455354_100011934791 [0,2,0,0,0,0|2,0,0]=4 3732 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCF 7a_100015455354_100011934791 [0,2,0,0,0,0|2,0,0]=4 3733 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCO 34a_100015455354_100000230001 [0,2,0,0,0,0|2,0,0]=4 3734 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCO 7a_100015455354_100011215043 [0,2,0,0,0,0|2,0,0]=4 3735 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCOC 34a_100015455354_100011201679 [0,2,0,0,0,0|2,0,0]=4 3736 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCOC 7a_100015455354_100000233755 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCSC 34a_100015455354_100000212216 [0,2,0,0,0,0|2,0,0]=4 3738 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCSC 7a_100015455354_100000212216 [0,2,0,0,0,0|2,0,0]=4 3739 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|0,0,2]=4 3740 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|1,0,1]=4 3741 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,1]=4 3742 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,1]=4 3743 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,1]=4 3744 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|1,0,1]=4 3745 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,1]=4 3746 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 3747 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 3748 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 3749 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|0,0,2]=4 3750 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,2,0,0,0,0|2,0,0]=4 3751 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,2,0,0,0,0|0,0,2]=4 3752 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|0,0,2]=4 3753 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|0,0,2]=4 3754 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,2,0,0,0,0|2,0,0]=4 3756 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 3758 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,2,0,0,0,0|2,0,0]=4 3759 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,2,0,0,0,0|2,0,0]=4 3761 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|0,0,2]=4 3762 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|0,0,2]=4 3763 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|0,0,2]=4 3764 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,2,0,0,0,0|1,0,0]=3 3765 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,2,0,0,0,0|1,0,0]=3 3766 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,2,0,0,0,0|1,0,0]=3 3767 B10R0.91 C=CCNC(C)CCCSC 270004a_100020586998_100011399439 [0,2,0,0,0,0|2,0,0]=4 3768 B10R0.91 C=CCNC(C)CCOCC 270004a_100020586998_200011216536 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.91 C=CCNC(C)CSCCC 270004a_100020586998_100011343953 [0,2,0,0,0,0|2,0,0]=4 3770 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,0,0,0,0|1,0,0]=3 3771 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,0,0,0,0|1,0,0]=3 3772 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,0,0,0,0|1,0,0]=3 3773 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,2,0,0,0,0|1,0,0]=3 3776 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,2,0,0,0,0|1,0,0]=3 3777 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|0,0,2]=4 3778 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|0,0,2]=4 3779 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,2,0,0,0,0|2,0,0]=4 3780 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|0,0,2]=4 3781 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|0,0,2]=4 3782 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,2,0,0,0,0|1,0,1]=4 3783 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,2,0,0,0,0|1,0,1]=4 3784 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,2,0,0,0,0|1,0,1]=4 3785 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,2,0,0,0,0|1,0,1]=4 3786 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,2,0,0,0,0|1,0,1]=4 3787 B10R0.108 C#CCC(C)OCC(O)C=C 34a_100000685586_100000730141 [0,2,0,0,0,0|0,0,2]=4 3788 B10R0.108 C#CCC(C)OCC(O)C=C 7a_100000685586_100000730141 [0,2,0,0,0,0|0,0,2]=4 3789 B10R0.108 C/C=C/C(C)OCC(C)CC 34a_200102604097_100000748023 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.108 C/C=C/C(C)OCC(O)CC 34a_200102604097_100011218378 [0,2,0,0,0,0|2,0,0]=4 3791 B10R0.108 C/C=C/C(C)OC[C@@H](C)CC 34a_200102604097_100009816398 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.108 C=CC(C)COC(C)CCC 34a_100011215527_100000766640 [0,2,0,0,0,0|1,0,0]=3 3793 B10R0.108 C=CC(C)COC(C)CCC 7a_100011215527_100000766640 [0,2,0,0,0,0|1,0,0]=3 3794 B10R0.108 C=CC(C)COC(C)CCO 34a_100011215527_100009893172 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.108 C=CC(C)COC(C)CCO 7a_100011215527_100009893172 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.108 C=CC(C)COC(C)COC 34a_100011215527_100000765312 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.108 C=CC(C)COC(C)COC 7a_100011215527_100000765312 [0,2,0,0,0,0|2,0,0]=4 3798 B10R0.108 C=CC(C)OCC(C)CCC 34a_100000695699_100011216630 [0,2,0,0,0,0|1,0,0]=3 3799 B10R0.108 C=CC(C)OCC(O)COC 34a_100000695699_100011215053 [0,2,0,0,0,0|2,0,0]=4 3800 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,2,0,0,0,0|1,0,1]=4 3801 B10R0.108 C=CC(C)SCC(C)CCC 62a_100011215867_100011216630 [0,2,0,0,0,0|1,0,0]=3 3802 B10R0.108 C=CC(C)SCC(O)COC 62a_100011215867_100011215053 [0,2,0,0,0,0|2,0,0]=4 3803 B10R0.108 C=CC(O)CNC(C)CCC 2230a_100000741246_100000730141 [0,2,0,0,0,0|0,0,0]=2 3804 B10R0.108 C=CC(O)CN[C@@H](C)CC#N 2230a_100016994482_100000730141 [0,2,0,0,0,0|1,0,1]=4 3805 B10R0.108 C=CC(O)CN[C@H](C)CCO 2230a_100000706166_100000730141 [0,2,0,0,0,0|1,0,0]=3 3806 B10R0.108 C=CC(O)CN[C@H](C)CCO 34a_100000706166_100000730141 [0,2,0,0,0,0|1,0,0]=3 3807 B10R0.108 C=CC(O)CN[C@H](C)COC 2230a_100000764878_100000730141 [0,2,0,0,0,0|1,0,0]=3 3808 B10R0.108 C=CC(O)COC(C)/C=C/C 34a_200102604097_100000730141 [0,2,0,0,0,0|0,0,2]=4 3809 B10R0.108 C=CC(O)COC(C)C#CC 34a_100011216543_100000730141 [0,2,0,0,0,0|0,0,2]=4 3810 B10R0.108 C=CC(O)COC(C)CCBr 34a_100012276601_100000730141 [0,2,0,0,0,0|1,0,0]=3 3811 B10R0.108 C=CC(O)COC(C)CCC 34a_100000764384_100000730141 [0,2,0,0,0,0|0,0,0]=2 3812 B10R0.108 C=CC(O)COC(C)CCC 7a_100000764384_100000730141 [0,2,0,0,0,0|0,0,0]=2 3813 B10R0.108 C=CC(O)CO[C@H](C)COC 34a_100011934205_100000730141 [0,2,0,0,0,0|1,0,0]=3 3814 B10R0.108 C=CC(O)CSC(C)CC#N 62a_100000730141_100009813641 [0,2,0,0,0,0|1,0,1]=4 3815 B10R0.108 C=CC(O)CSC(C)CC#N 62a_100009813641_100000730141 [0,2,0,0,0,0|1,0,1]=4 3816 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000730141_100000766640 [0,2,0,0,0,0|0,0,0]=2 3817 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000766640_100000730141 [0,2,0,0,0,0|0,0,0]=2 3818 B10R0.108 C=CC(O)CSC(C)CCO 62a_100000730141_100009893172 [0,2,0,0,0,0|1,0,0]=3 3819 B10R0.108 C=CC(O)CSC(C)CCO 62a_100009893172_100000730141 [0,2,0,0,0,0|1,0,0]=3 3820 B10R0.108 C=CC(O)CSC(C)COC 62a_100000730141_100000765312 [0,2,0,0,0,0|1,0,0]=3 3821 B10R0.108 C=CC(O)CSC(C)COC 62a_100000765312_100000730141 [0,2,0,0,0,0|1,0,0]=3 3822 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,2,0,0,0,0|0,0,2]=4 3823 B10R0.108 C=CCC(C)COC(C)CC 34a_100009832082_100011215416 [0,2,0,0,0,0|2,0,0]=4 3824 B10R0.108 C=CCC(C)COC(C)CC 7a_100009832082_100000758301 [0,2,0,0,0,0|2,0,0]=4 3825 B10R0.108 C=CC[C@@H](C)OCC(C)CC 34a_100000731007_100000748023 [0,2,0,0,0,0|2,0,0]=4 3826 B10R0.108 C=CC[C@@H](C)OCC(C)CC 7a_100000731007_100000748023 [0,2,0,0,0,0|2,0,0]=4 3827 B10R0.108 C=CC[C@@H](C)OCC(O)C=C 34a_100000731007_100000730141 [0,2,0,0,0,0|0,0,2]=4 3828 B10R0.108 C=CC[C@@H](C)OCC(O)C=C 7a_100000731007_100000730141 [0,2,0,0,0,0|0,0,2]=4 3829 B10R0.108 C=CC[C@@H](C)OCC(O)CC 34a_100000731007_100011218378 [0,2,0,0,0,0|2,0,0]=4 3830 B10R0.108 C=CC[C@@H](C)OCC(O)CC 7a_100000731007_100011218378 [0,2,0,0,0,0|2,0,0]=4 3831 B10R0.108 C=CC[C@@H](C)OC[C@@H](C)CC 34a_100000731007_100009816398 [0,2,0,0,0,0|2,0,0]=4 3832 B10R0.108 C=CC[C@@H](C)OC[C@@H](C)CC 7a_100000731007_100009816398 [0,2,0,0,0,0|2,0,0]=4 3833 B10R0.108 C=CC[C@@H](N)COC(C)CC 34a_100020615467_100011215416 [0,2,0,0,0,0|2,0,0]=4 3834 B10R0.108 C=C[C@H](N)COC(C)CCC 34a_100016989147_100000766640 [0,2,0,0,0,0|1,0,0]=3 3835 B10R0.108 C=C[C@H](N)COC(C)CCO 34a_100016989147_100009893172 [0,2,0,0,0,0|2,0,0]=4 3836 B10R0.108 C=C[C@H](N)COC(C)COC 34a_100016989147_100000765312 [0,2,0,0,0,0|2,0,0]=4 3837 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,2,0,0,0,0|0,0,2]=4 3838 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,2,0,0,0,0|0,0,2]=4 3839 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,2,0,0,0,0|0,0,2]=4 3840 B10R0.108 CCCC(C)NCC(O)CO 2230a_100000741246_100011219619 [0,2,0,0,0,0|1,0,1]=4 3841 B10R0.108 CCCC(C)NC[C@@H](O)CF 2230a_100000741246_100015614560 [0,2,0,0,0,0|1,0,1]=4 3842 B10R0.108 CCCC(C)NC[C@@H](O)CO 2230a_100000741246_100009815848 [0,2,0,0,0,0|1,0,1]=4 3843 B10R0.108 CCCC(C)NC[C@H](O)CO 2230a_100020644852_100000766640 [0,2,0,0,0,0|1,0,1]=4 3844 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,2,0,0,0,0|0,0,2]=4 3845 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,2,0,0,0,0|0,0,2]=4 3846 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,2,0,0,0,0|1,0,1]=4 3847 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,2,0,0,0,0|1,0,1]=4 3848 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [0,2,0,0,0,0|1,0,1]=4 3849 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [0,2,0,0,0,0|1,0,1]=4 3850 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,2,0,0,0,0|1,0,1]=4 3851 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,2,0,0,0,0|1,0,1]=4 3852 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [0,2,0,0,0,0|0,0,2]=4 3853 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [0,2,0,0,0,0|0,0,2]=4 3854 B10R0.108 CCCC(C)SCC(O)CO 62a_100000766640_100011219619 [0,2,0,0,0,0|1,0,1]=4 3855 B10R0.108 CCCC(C)SCC(O)CO 62a_100011219619_100000766640 [0,2,0,0,0,0|1,0,1]=4 3856 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100000766640_100015614560 [0,2,0,0,0,0|1,0,1]=4 3857 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100015614560_100000766640 [0,2,0,0,0,0|1,0,1]=4 3858 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100000766640_100009815848 [0,2,0,0,0,0|1,0,1]=4 3859 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100009815848_100000766640 [0,2,0,0,0,0|1,0,1]=4 3860 B10R0.156 C=CCC(C)(C)OCCCC 7a_100011995686_100000210211 [0,2,0,0,0,0|2,0,0]=4 3861 B10R0.35 C=CC(C)C(=O)C(C)CCC 1458a_100011216780_100000766640 [0,2,0,0,0,0|1,0,1]=4 3862 B10R0.40 C=CC(C)(C)C(=O)CCCC 1458a_100012027013_100000210211 [0,2,0,0,0,0|1,0,1]=4 3863 B10R0.40 C=CC(F)(F)N(C)CCCC 269982a_100000207549_100009814244 [0,2,0,0,0,0|2,0,0]=4 3864 B10R0.46 C=CC(C)C(=O)CC(C)CC 1458a_100011216780_100000748023 [0,2,0,0,0,0|1,0,1]=4 3865 B10R0.46 C=CC(C)C(=O)CC(O)CC 1458a_100011216780_100011218378 [0,2,0,0,0,0|1,0,1]=4 3866 B10R0.46 C=CC(C)C(=O)C[C@@H](C)CC 1458a_100011216780_100009816398 [0,2,0,0,0,0|1,0,1]=4 3867 B10R0.46 C=CC(C)CC(=O)C(C)CC 1458a_100011934298_100000758301 [0,2,0,0,0,0|1,0,1]=4 3868 B10R0.46 C=CC(C)N(C)CC(C)CC 269982a_100000753921_100011215867 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.46 C=CC(O)CN(C)C(C)CC 2230a_100000741768_100000730141 [0,2,0,0,0,0|1,0,0]=3 3870 B10R0.46 C=CC(O)CN(C)C(C)CO 2230a_100000693034_100000730141 [0,2,0,0,0,0|2,0,0]=4 3871 B10R0.46 C=C[C@@H](C)[C@@H](C)OC(C)CC 34a_100015455354_100011215416 [0,2,0,0,0,0|2,0,0]=4 3872 B10R0.46 C=C[C@@H](C)[C@@H](C)OC(C)CC 7a_100015455354_100000758301 [0,2,0,0,0,0|2,0,0]=4 3873 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|0,0,2]=4 3874 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,2,0,0,0,0|0,0,2]=4 3875 B10R0.85 C=CC(C)N(CC)CCCC 269982a_100000207695_100011215867 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.7 C=CC(C)(C)OC(C)CCC 34a_100011215311_100000766640 [0,2,0,0,0,0|2,0,0]=4 3877 B10R0.7 C=CC(C)(C)OC(C)CCC 7a_100011215311_100000766640 [0,2,0,0,0,0|2,0,0]=4 3878 B10R0.7 C=CC(F)(F)SC(C)CCC 62a_100000766640_100009814244 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.7 C=CC(F)(F)SC(C)CCC 62a_100009814244_100000766640 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.62 C=CC(C)(C)OCCCCC 34a_100011215311_100000718602 [0,2,0,0,0,0|1,0,0]=3 3881 B10R0.62 C=CC(C)(C)OCCCCC 7a_100011215311_100000210326 [0,2,0,0,0,0|1,0,0]=3 3882 B10R0.62 C=CC(C)(C)OCCCCF 34a_100011215311_100000729493 [0,2,0,0,0,0|2,0,0]=4 3883 B10R0.62 C=CC(C)(C)OCCCCF 7a_100011215311_100000729493 [0,2,0,0,0,0|2,0,0]=4 3884 B10R0.62 C=CC(C)(C)OCCCCO 34a_100011215311_100011216708 [0,2,0,0,0,0|2,0,0]=4 3885 B10R0.62 C=CC(C)(C)OCCCCO 7a_100011215311_100000210776 [0,2,0,0,0,0|2,0,0]=4 3886 B10R0.62 C=CC(C)(C)OCCCOC 34a_100011215311_100000740836 [0,2,0,0,0,0|2,0,0]=4 3887 B10R0.62 C=CC(C)(C)OCCCOC 7a_100011215311_100000740836 [0,2,0,0,0,0|2,0,0]=4 3888 B10R0.62 C=CC(C)(C)OCCOCC 34a_100011215311_100000210147 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.62 C=CC(C)(C)OCCOCC 7a_100011215311_100011215890 [0,2,0,0,0,0|2,0,0]=4 3890 B10R0.62 C=CC(C)(C)OCCSCC 34a_100011215311_100000757381 [0,2,0,0,0,0|2,0,0]=4 3891 B10R0.62 C=CC(C)(C)OCCSCC 7a_100011215311_100000757381 [0,2,0,0,0,0|2,0,0]=4 3892 B10R0.62 C=CC(F)(F)SCCCCC 62a_100000210326_100009814244 [0,2,0,0,0,0|1,0,0]=3 3893 B10R0.62 C=CC(F)(F)SCCCCC 62a_100009814244_100000210326 [0,2,0,0,0,0|1,0,0]=3 3894 B10R0.62 C=CC(F)(F)SCCCCF 62a_100000729493_100009814244 [0,2,0,0,0,0|2,0,0]=4 3895 B10R0.62 C=CC(F)(F)SCCCCF 62a_100009814244_100000729493 [0,2,0,0,0,0|2,0,0]=4 3896 B10R0.62 C=CC(F)(F)SCCCCO 62a_100000210776_100009814244 [0,2,0,0,0,0|2,0,0]=4 3897 B10R0.62 C=CC(F)(F)SCCCCO 62a_100009814244_100000210776 [0,2,0,0,0,0|2,0,0]=4 3898 B10R0.62 C=CC(F)(F)SCCCOC 62a_100000709357_100009814244 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.62 C=CC(F)(F)SCCCOC 62a_100009814244_100000709357 [0,2,0,0,0,0|2,0,0]=4 3900 B10R0.62 C=CC(F)(F)SCCOCC 62a_100000210147_100009814244 [0,2,0,0,0,0|2,0,0]=4 3901 B10R0.62 C=CC(F)(F)SCCOCC 62a_100009814244_100011215890 [0,2,0,0,0,0|2,0,0]=4 3902 B10R0.62 C=CC(F)(F)SCCSCC 62a_100000757381_100009814244 [0,2,0,0,0,0|2,0,0]=4 3903 B10R0.62 C=CC(F)(F)SCCSCC 62a_100009814244_100000757381 [0,2,0,0,0,0|2,0,0]=4 3904 B10R0.62 C=C[Si](C)(C)CNCCCC 2230a_100000102301_100000038793 [0,2,0,0,0,0|1,1,0]=4 3905 B10R0.62 C=C[Si](C)(C)CSCCCC 62a_100000038793_100000210210 [0,2,0,0,0,0|1,1,0]=4 3906 B10R0.62 C=C[Si](C)(C)CSCCCC 62a_100000210211_100000038793 [0,2,0,0,0,0|1,1,0]=4 3907 B10R0.115 C=CC(C)(C)OCC(C)CC 34a_100011215311_100000748023 [0,2,0,0,0,0|2,0,0]=4 3908 B10R0.115 C=CC(C)(C)OCC(C)CC 7a_100011215311_100000748023 [0,2,0,0,0,0|2,0,0]=4 3909 B10R0.115 C=CC(C)(C)OCC(O)CC 34a_100011215311_100011218378 [0,2,0,0,0,0|2,0,0]=4 3910 B10R0.115 C=CC(C)(C)OCC(O)CC 7a_100011215311_100011218378 [0,2,0,0,0,0|2,0,0]=4 3911 B10R0.115 C=CC(C)(C)OC[C@@H](C)CC 34a_100011215311_100009816398 [0,2,0,0,0,0|2,0,0]=4 3912 B10R0.115 C=CC(C)(C)OC[C@@H](C)CC 7a_100011215311_100009816398 [0,2,0,0,0,0|2,0,0]=4 3913 B10R0.115 C=CC(C)COC(C)(C)CC 7a_100011215527_100000210677 [0,2,0,0,0,0|2,0,0]=4 3914 B10R0.115 C=CC(F)(F)SCC(C)CC 62a_100000748023_100009814244 [0,2,0,0,0,0|2,0,0]=4 3915 B10R0.115 C=CC(F)(F)SCC(C)CC 62a_100009814244_100000748023 [0,2,0,0,0,0|2,0,0]=4 3916 B10R0.115 C=CC(F)(F)SCC(O)CC 62a_100009814244_100011218378 [0,2,0,0,0,0|2,0,0]=4 3917 B10R0.115 C=CC(F)(F)SCC(O)CC 62a_100011218378_100009814244 [0,2,0,0,0,0|2,0,0]=4 3918 B10R0.115 C=CC(F)(F)SC[C@@H](C)CC 62a_100009814244_100009816398 [0,2,0,0,0,0|2,0,0]=4 3919 B10R0.115 C=CC(F)(F)SC[C@@H](C)CC 62a_100009816398_100009814244 [0,2,0,0,0,0|2,0,0]=4 3920 B10R0.115 C=CC(O)CNC(C)(C)CC 2230a_100000211385_100000730141 [0,2,0,0,0,0|1,0,0]=3 3921 B10R0.115 C=CC(O)CNC(C)(C)CO 2230a_100000210608_100000730141 [0,2,0,0,0,0|2,0,0]=4 3922 B10R0.115 C=CC(O)COC(C)(C)CC 7a_100000210230_100000730141 [0,2,0,0,0,0|1,0,0]=3 3923 B10R0.115 C=CC(O)COC(C)(C)CCl 7a_100000764493_100000730141 [0,2,0,0,0,0|2,0,0]=4 3924 B10R0.115 C=CC(O)CSC(C)(C)CC 62a_100000032637_100000730141 [0,2,0,0,0,0|1,0,0]=3 3925 B10R0.115 C=CC(O)CSC(C)(C)CC 62a_100000730141_100000032637 [0,2,0,0,0,0|1,0,0]=3 3926 B10R0.115 C=CC(O)CSC(F)(F)CO 62a_100000730141_100011217949 [0,2,0,0,0,0|2,0,0]=4 3927 B10R0.115 C=CC(O)CSC(F)(F)CO 62a_100011217949_100000730141 [0,2,0,0,0,0|2,0,0]=4 3928 B10R0.157 C#CC(C)(C=C)OCCCC 34a_100000033310_100000210210 [0,2,0,0,0,0|2,0,0]=4 3929 B10R0.157 C#CC(C)(C=C)OCCCC 7a_100000033310_100000210211 [0,2,0,0,0,0|2,0,0]=4 3930 B10R0.45 C#CC(CC)OCC(O)C=C 34a_100000758843_100000730141 [0,2,0,0,0,0|1,0,0]=3 3931 B10R0.45 C#CC(CC)OCC(O)C=C 7a_100000758843_100000730141 [0,2,0,0,0,0|1,0,0]=3 3932 B10R0.45 C=CC(C)COC(CC)CC 7a_100011215527_100000210505 [0,2,0,0,0,0|2,0,0]=4 3933 B10R0.45 C=CC(C)OCC(CC)CC 34a_100000695699_100011215472 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.45 C=CC(C)SCC(CC)CC 62a_100011215867_100011215472 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.45 C=CC(C=C)OCC(C)CC 34a_100000033096_100000748023 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.45 C=CC(C=C)OCC(O)CC 34a_100000033096_100011218378 [0,2,0,0,0,0|2,0,0]=4 3937 B10R0.45 C=CC(C=C)OC[C@@H](C)CC 34a_100000033096_100009816398 [0,2,0,0,0,0|2,0,0]=4 3938 B10R0.45 C=CC(CC)OCC(C)CC 34a_100000766422_100000748023 [0,2,0,0,0,0|2,0,0]=4 3939 B10R0.45 C=CC(CC)OCC(C)CC 7a_100000766422_100000748023 [0,2,0,0,0,0|2,0,0]=4 3940 B10R0.45 C=CC(CC)OCC(O)CC 34a_100000766422_100011218378 [0,2,0,0,0,0|2,0,0]=4 3941 B10R0.45 C=CC(CC)OCC(O)CC 7a_100000766422_100011218378 [0,2,0,0,0,0|2,0,0]=4 3942 B10R0.45 C=CC(CC)OC[C@@H](C)CC 34a_100000766422_100009816398 [0,2,0,0,0,0|2,0,0]=4 3943 B10R0.45 C=CC(CC)OC[C@@H](C)CC 7a_100000766422_100009816398 [0,2,0,0,0,0|2,0,0]=4 3944 B10R0.45 C=CC(O)CNC(CC)CC 2230a_100000199018_100000730141 [0,2,0,0,0,0|1,0,0]=3 3945 B10R0.45 C=CC(O)CNC(CO)CO 2230a_100000759517_100000730141 [0,2,0,0,0,0|2,0,0]=4 3946 B10R0.45 C=CC(O)CN[C@@H](C=C)CO 2230a_100016989147_100000730141 [0,2,0,0,0,0|2,0,0]=4 3947 B10R0.45 C=CC(O)CN[C@@H](C=C)CO 34a_100016989147_100000730141 [0,2,0,0,0,0|2,0,0]=4 3948 B10R0.45 C=CC(O)CN[C@@H](CC)CO 2230a_100000709445_100000730141 [0,2,0,0,0,0|1,0,0]=3 3949 B10R0.45 C=CC(O)COC(C=C)CC 34a_100000766422_100000730141 [0,2,0,0,0,0|1,0,0]=3 3950 B10R0.45 C=CC(O)COC(C=C)CC 7a_100000766422_100000730141 [0,2,0,0,0,0|1,0,0]=3 3951 B10R0.45 C=CC(O)COC(CC)CC 7a_100000688536_100000730141 [0,2,0,0,0,0|1,0,0]=3 3952 B10R0.45 C=CC(O)COC(CCl)CCl 7a_100000737055_100000730141 [0,2,0,0,0,0|2,0,0]=4 3953 B10R0.45 C=CC(O)COC(CF)CF 34a_100000032261_100000730141 [0,2,0,0,0,0|2,0,0]=4 3954 B10R0.45 C=CC(O)COC(CF)CF 7a_100000032261_100000730141 [0,2,0,0,0,0|2,0,0]=4 3955 B10R0.45 C=CC(O)COC(CN)CN 34a_100000031598_100000730141 [0,2,0,0,0,0|2,0,0]=4 3956 B10R0.45 C=CC(O)CO[C@@H](CF)CCl 34a_100015614560_100000730141 [0,2,0,0,0,0|2,0,0]=4 3957 B10R0.45 C=CC(O)CO[C@@H](CF)CCl 7a_100015614560_100000730141 [0,2,0,0,0,0|2,0,0]=4 3958 B10R0.45 C=CC(O)CSC(CC)CC 62a_100000210505_100000730141 [0,2,0,0,0,0|1,0,0]=3 3959 B10R0.45 C=CC(O)CSC(CC)CC 62a_100000730141_100000210505 [0,2,0,0,0,0|1,0,0]=3 3960 B10R0.45 C=C[C@@H](CO)NCC(C)CC 2230a_100016989147_100000748023 [0,2,0,0,0,0|1,0,0]=3 3961 B10R0.45 C=C[C@@H](CO)NCC(C)CC 270004a_100016989147_100000243153 [0,2,0,0,0,0|1,0,0]=3 3962 B10R0.45 C=C[C@@H](CO)NCC(C)CC 34a_100016989147_100000748023 [0,2,0,0,0,0|1,0,0]=3 3963 B10R0.45 C=C[C@@H](CO)NCC(O)CC 2230a_100016989147_100011218378 [0,2,0,0,0,0|1,0,0]=3 3964 B10R0.45 C=C[C@@H](CO)NCC(O)CC 34a_100016989147_100011218378 [0,2,0,0,0,0|1,0,0]=3 3965 B10R0.45 C=C[C@@H](CO)NCC(O)CO 2230a_100016989147_100011219619 [0,2,0,0,0,0|2,0,0]=4 3966 B10R0.45 C=C[C@@H](CO)NCC(O)CO 34a_100016989147_100011219619 [0,2,0,0,0,0|2,0,0]=4 3967 B10R0.45 C=C[C@@H](CO)NC[C@@H](C)CC 2230a_100016989147_100009816398 [0,2,0,0,0,0|1,0,0]=3 3968 B10R0.45 C=C[C@@H](CO)NC[C@@H](C)CC 34a_100016989147_100009816398 [0,2,0,0,0,0|1,0,0]=3 3969 B10R0.45 C=C[C@@H](CO)NC[C@@H](C)CO 2230a_100016989147_100000059175 [0,2,0,0,0,0|2,0,0]=4 3970 B10R0.45 C=C[C@@H](CO)NC[C@@H](C)CO 34a_100016989147_100000059175 [0,2,0,0,0,0|2,0,0]=4 3971 B10R0.45 C=C[C@@H](CO)NC[C@@H](O)CF 2230a_100016989147_100015614560 [0,2,0,0,0,0|2,0,0]=4 3972 B10R0.45 C=C[C@@H](CO)NC[C@@H](O)CF 34a_100016989147_100015614560 [0,2,0,0,0,0|2,0,0]=4 3973 B10R0.45 C=C[C@@H](CO)NC[C@@H](O)CO 2230a_100016989147_100009815848 [0,2,0,0,0,0|2,0,0]=4 3974 B10R0.45 C=C[C@@H](CO)NC[C@@H](O)CO 34a_100016989147_100009815848 [0,2,0,0,0,0|2,0,0]=4 3975 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,2,0,0,0,0|0,0,2]=4 3976 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,2,0,0,0,0|0,0,2]=4 3977 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|1,0,0]=3 3978 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [0,2,0,0,0,0|1,0,1]=4 3979 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,2,0,0,0,0|1,0,1]=4 3980 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,2,0,0,0,0|1,0,1]=4 3981 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,2,0,0,0,0|1,0,1]=4 3982 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 3983 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 3984 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 3985 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 3986 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [0,2,0,0,0,0|1,0,0]=3 3987 B10R0.18 C=CC(C)SC(C)CCCC 62a_100011215867_200011215066 [0,2,0,0,0,0|1,0,0]=3 3988 B10R0.18 C=CC(O)CN(C)CCC#N 2230a_100000184479_100000730141 [0,2,0,0,0,0|1,0,1]=4 3989 B10R0.18 C=CC(O)CN(C)CCCC 2230a_100000207549_100000730141 [0,2,0,0,0,0|0,0,0]=2 3990 B10R0.18 C=CC(O)CN(C)CCCO 2230a_100000213112_100000730141 [0,2,0,0,0,0|1,0,0]=3 3991 B10R0.18 C=CC(O)CN(C)CCOC 2230a_100000743101_100000730141 [0,2,0,0,0,0|1,0,0]=3 3992 B10R0.18 C=CC(O)CN(C)CCSC 2230a_100000686725_100000730141 [0,2,0,0,0,0|1,0,0]=3 3993 B10R0.18 C=CCCN(C)CC(O)C=C 2230a_100020639649_100000730141 [0,2,0,0,0,0|0,0,2]=4 3994 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|0,0,2]=4 3995 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|0,0,2]=4 3996 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,2,0,0,0,0|0,0,2]=4 3997 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,2,0,0,0,0|0,0,2]=4 3998 B10R0.18 CCCCN(C)CC(O)CO 2230a_100000207549_100011219619 [0,2,0,0,0,0|1,0,1]=4 3999 B10R0.18 CCCCN(C)CC(O)CO 2230a_100011216503_100000210211 [0,2,0,0,0,0|1,0,1]=4 4000 B10R0.18 CCCCN(C)CC(O)CO 269982a_100011216503_100000210211 [0,2,0,0,0,0|1,0,1]=4 4001 B10R0.18 CCCCN(C)C[C@@H](O)CF 2230a_100000207549_100015614560 [0,2,0,0,0,0|1,0,1]=4 4002 B10R0.18 CCCCN(C)C[C@@H](O)CO 2230a_100000207549_100009815848 [0,2,0,0,0,0|1,0,1]=4 4003 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|0,0,2]=4 4004 B10R0.26 C=C(C)C(C)NC(C)CCC 269862a_100000741246_100011216138 [0,2,0,0,0,0|2,0,0]=4 4005 B10R0.29 C=CC(C)SC(CC)CCC 62a_100011215867_100011219200 [0,2,0,0,0,0|2,0,0]=4 4006 B10R0.29 C=CC(O)CN(CC)CCC 2230a_100000226822_100000730141 [0,2,0,0,0,0|1,0,0]=3 4007 B10R0.29 C=CC(O)CN(CC)CCO 2230a_100000210973_100000730141 [0,2,0,0,0,0|2,0,0]=4 4008 B10R0.34 C=CC(C=C)OC(C)CCC 34a_100000033096_100000766640 [0,2,0,0,0,0|2,0,0]=4 4009 B10R0.34 C=CC(CC)OC(C)CCC 34a_100000766422_100000766640 [0,2,0,0,0,0|2,0,0]=4 4010 B10R0.34 C=CC(CC)OC(C)CCC 7a_100000766422_100000766640 [0,2,0,0,0,0|2,0,0]=4 4011 B10R0.34 C=C[C@@H](CO)NC(=O)CCC 240690a_100016989147_100000211992 [0,2,0,0,0,0|1,0,1]=4 4012 B10R0.34 C=C[C@@H](CO)NC(=O)CCC 527a_100016989147_100000211992 [0,2,0,0,0,0|1,0,1]=4 4013 B10R0.34 C=C[C@@H](CO)NC(C)CCC 2230a_100016989147_100000766640 [0,2,0,0,0,0|1,0,0]=3 4014 B10R0.34 C=C[C@@H](CO)NC(C)CCC 270004a_100016989147_100000211909 [0,2,0,0,0,0|1,0,0]=3 4015 B10R0.34 C=C[C@@H](CO)NC(C)CCC 34a_100016989147_100000766640 [0,2,0,0,0,0|1,0,0]=3 4016 B10R0.34 C=C[C@@H](CO)NC(C)CCO 2230a_100016989147_100009893172 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.34 C=C[C@@H](CO)NC(C)CCO 34a_100016989147_100009893172 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.34 C=C[C@@H](CO)NC(C)COC 2230a_100016989147_100000765312 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.34 C=C[C@@H](CO)NC(C)COC 270004a_100016989147_100000749346 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.34 C=C[C@@H](CO)NC(C)COC 34a_100016989147_100000765312 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.34 C=C[C@@H](CO)NC(C)CSC 270004a_100016989147_100011216314 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.41 C#CC(CCCCCBr)OC 34a_200010408556_200000210301 [0,2,0,0,0,0|0,0,2]=4 4023 B10R0.41 C#CC(CCCCCBr)OC 7a_200010408556_200000210301 [0,2,0,0,0,0|0,0,2]=4 4024 B10R0.41 C#CC(CCCCCBr)O[13CH3] 34a_200010408556_200025704644 [0,2,0,0,0,0|0,0,2]=4 4025 B10R0.41 C#CC(CCCCCBr)O[13CH3] 7a_200010408556_200025704644 [0,2,0,0,0,0|0,0,2]=4 4026 B10R0.41 C#CCCCN[C@@H](C=C)CO 2230a_100016989147_100000731252 [0,2,0,0,0,0|0,0,2]=4 4027 B10R0.41 C#CCCCN[C@@H](C=C)CO 34a_100016989147_100000695029 [0,2,0,0,0,0|0,0,2]=4 4028 B10R0.41 C=CC(C=C)OCCCCC 34a_100000033096_100000718602 [0,2,0,0,0,0|1,0,0]=3 4029 B10R0.41 C=CC(C=C)OCCCCF 34a_100000033096_100000729493 [0,2,0,0,0,0|2,0,0]=4 4030 B10R0.41 C=CC(C=C)OCCCCO 34a_100000033096_100011216708 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.41 C=CC(C=C)OCCCOC 34a_100000033096_100000740836 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.41 C=CC(C=C)OCCOCC 34a_100000033096_100000210147 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.41 C=CC(C=C)OCCSCC 34a_100000033096_100000757381 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,2,0,0,0,0|1,0,0]=3 4035 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,2,0,0,0,0|1,0,0]=3 4036 B10R0.41 C=CC(CC)OCCCCF 34a_100000766422_100000729493 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.41 C=CC(CC)OCCCCF 7a_100000766422_100000729493 [0,2,0,0,0,0|2,0,0]=4 4038 B10R0.41 C=CC(CC)OCCCCO 34a_100000766422_100011216708 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.41 C=CC(CC)OCCCCO 7a_100000766422_100000210776 [0,2,0,0,0,0|2,0,0]=4 4040 B10R0.41 C=CC(CC)OCCCOC 34a_100000766422_100000740836 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.41 C=CC(CC)OCCCOC 7a_100000766422_100000740836 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.41 C=CC(CC)OCCOCC 34a_100000766422_100000210147 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.41 C=CC(CC)OCCOCC 7a_100000766422_100011215890 [0,2,0,0,0,0|2,0,0]=4 4044 B10R0.41 C=CC(CC)OCCSCC 34a_100000766422_100000757381 [0,2,0,0,0,0|2,0,0]=4 4045 B10R0.41 C=CC(CC)OCCSCC 7a_100000766422_100000757381 [0,2,0,0,0,0|2,0,0]=4 4046 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|0,0,0]=2 4047 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|0,0,0]=2 4048 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|0,0,0]=2 4049 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|0,0,0]=2 4050 B10R0.41 C=CCCCN[C@@H](C=C)CO 2230a_100016989147_100011713584 [0,2,0,0,0,0|0,0,2]=4 4051 B10R0.41 C=CCCCN[C@@H](C=C)CO 34a_100016989147_100000757094 [0,2,0,0,0,0|0,0,2]=4 4052 B10R0.41 C=C[C@@H](CO)NC/C=C\CC 2230a_100016989147_100103147603 [0,2,0,0,0,0|0,0,2]=4 4053 B10R0.41 C=C[C@@H](CO)NC/C=C\CC 34a_100016989147_100103147603 [0,2,0,0,0,0|0,0,2]=4 4054 B10R0.41 C=C[C@@H](CO)NCC#CCC 2230a_100016989147_100009813939 [0,2,0,0,0,0|0,0,2]=4 4055 B10R0.41 C=C[C@@H](CO)NCC#CCC 34a_100016989147_100009813939 [0,2,0,0,0,0|0,0,2]=4 4056 B10R0.41 C=C[C@@H](CO)NCCCC#N 2230a_100016989147_100000687738 [0,2,0,0,0,0|1,0,1]=4 4057 B10R0.41 C=C[C@@H](CO)NCCCC=O 2230a_100016989147_200011292268 [0,2,0,0,0,0|1,0,1]=4 4058 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,2,0,0,0,0|0,0,0]=2 4059 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|0,0,0]=2 4060 B10R0.41 C=C[C@@H](CO)NCCCCF 2230a_100016989147_100000729493 [0,2,0,0,0,0|1,0,0]=3 4061 B10R0.41 C=C[C@@H](CO)NCCCCF 34a_100016989147_100000729493 [0,2,0,0,0,0|1,0,0]=3 4062 B10R0.41 C=C[C@@H](CO)NCCCCO 2230a_100016989147_100000210776 [0,2,0,0,0,0|1,0,0]=3 4063 B10R0.41 C=C[C@@H](CO)NCCCCO 34a_100016989147_100011216708 [0,2,0,0,0,0|1,0,0]=3 4064 B10R0.41 C=C[C@@H](CO)NCCCOC 2230a_100016989147_100000740836 [0,2,0,0,0,0|1,0,0]=3 4065 B10R0.41 C=C[C@@H](CO)NCCCOC 34a_100016989147_100000740836 [0,2,0,0,0,0|1,0,0]=3 4066 B10R0.41 C=C[C@@H](CO)NCCOCC 2230a_100016989147_100011215890 [0,2,0,0,0,0|1,0,0]=3 4067 B10R0.41 C=C[C@@H](CO)NCCOCC 34a_100016989147_100000210147 [0,2,0,0,0,0|1,0,0]=3 4068 B10R0.41 C=C[C@@H](CO)NCCSCC 2230a_100016989147_100000757381 [0,2,0,0,0,0|1,0,0]=3 4069 B10R0.41 C=C[C@@H](CO)NCCSCC 34a_100016989147_100000757381 [0,2,0,0,0,0|1,0,0]=3 4070 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|0,0,2]=4 4071 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|0,0,2]=4 4072 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|0,0,2]=4 4073 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|0,0,2]=4 4074 B10R0.41 CCCCCNC(C=O)C=O 2230a_100000209983_100000736813 [0,2,0,0,0,0|1,0,1]=4 4075 B10R0.41 CCCCCNC(CO)CO 2230a_100000759517_100000210326 [0,2,0,0,0,0|1,0,1]=4 4076 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,2,0,0,0,0|0,0,2]=4 4077 B10R0.41 CCCCCOC(C=O)C=O 34a_100000210253_100000736813 [0,2,0,0,0,0|1,0,1]=4 4078 B10R0.41 CCCCCSC(C=O)C=O 62a_100000210326_100000736813 [0,2,0,0,0,0|1,0,1]=4 4079 B10R0.41 CCCCCSC(C=O)C=O 62a_100000736813_100000210326 [0,2,0,0,0,0|1,0,1]=4 4080 B10R0.41 CCCCNCC(OC)OC 2230a_100000102301_100000751394 [0,2,0,0,0,0|1,0,1]=4 4081 B10R0.41 CCCCNCC(OC)OC 270004a_100000102301_100000752162 [0,2,0,0,0,0|1,0,1]=4 4082 B10R0.41 CCCCNCC(OC)OC 7a_106832991798_100000751394 [0,2,0,0,0,0|1,0,1]=4 4083 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,2,0,0,0,0|0,0,2]=4 4084 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,2,0,0,0,0|0,0,2]=4 4085 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [0,2,0,0,0,0|1,0,1]=4 4086 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [0,2,0,0,0,0|1,0,1]=4 4087 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [0,2,0,0,0,0|1,0,1]=4 4088 B10R0.41 CCCCSCC(OC)OC 62a_100000210211_100000751394 [0,2,0,0,0,0|1,0,1]=4 4089 B10R0.41 CCCCSCC(OC)OC 62a_100000751394_100000210210 [0,2,0,0,0,0|1,0,1]=4 4090 B10R0.41 CCCOCCC(OC)OC 34a_100000210258_100000139399 [0,2,0,0,0,0|1,0,1]=4 4091 B10R0.41 CCCSCCC(OC)OC 62a_100000139399_100000210303 [0,2,0,0,0,0|1,0,1]=4 4092 B10R0.41 CCCSCCC(OC)OC 62a_100000210303_100000139399 [0,2,0,0,0,0|1,0,1]=4 4093 B10R0.41 CCNCCCC(OC)OC 2230a_100015525214_100000069011 [0,2,0,0,0,0|1,0,1]=4 4094 B10R0.41 CCOCCCC(OC)OC 34a_100121572206_100000069011 [0,2,0,0,0,0|1,0,1]=4 4095 B10R0.41 CCSCCCC(OC)OC 62a_100000069011_100000210202 [0,2,0,0,0,0|1,0,1]=4 4096 B10R0.41 CCSCCCC(OC)OC 62a_100000210202_100000069011 [0,2,0,0,0,0|1,0,1]=4 4097 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,2,0,0,0,0|0,0,2]=4 4098 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|0,0,2]=4 4099 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,2,0,0,0,0|0,0,2]=4 4100 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,2,0,0,0,0|0,0,2]=4 4101 B10R0.55 C=CC(C)COCCC(=C)C 34a_100011215527_100000730704 [0,2,0,0,0,0|1,0,1]=4 4102 B10R0.55 C=CC(C)COCCC(=C)C 7a_100011215527_100000730704 [0,2,0,0,0,0|1,0,1]=4 4103 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,2,0,0,0,0|1,0,1]=4 4104 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [0,2,0,0,0,0|1,0,0]=3 4105 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [0,2,0,0,0,0|1,0,0]=3 4106 B10R0.55 C=CC(C)COCCC(C)O 34a_100011215527_100012276601 [0,2,0,0,0,0|1,0,0]=3 4107 B10R0.55 C=CC(C)COCCC(C)O 7a_100011215527_100012276601 [0,2,0,0,0,0|1,0,0]=3 4108 B10R0.55 C=CC(C)COCCN(C)C 7a_100011215527_100000755713 [0,2,0,0,0,0|2,0,0]=4 4109 B10R0.55 C=CC(C)COCOC(C)C 34a_100011215527_100000709892 [0,2,0,0,0,0|2,0,0]=4 4110 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,2,0,0,0,0|1,0,1]=4 4111 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [0,2,0,0,0,0|1,0,0]=3 4112 B10R0.55 C=CC(C)OCCCC(C)O 34a_100000695699_200000718107 [0,2,0,0,0,0|1,0,0]=3 4113 B10R0.55 C=CC(C)OCCOC(C)C 34a_100000695699_100000211751 [0,2,0,0,0,0|2,0,0]=4 4114 B10R0.55 C=CC(C)OCCSC(C)C 34a_100000695699_100000730970 [0,2,0,0,0,0|2,0,0]=4 4115 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,2,0,0,0,0|1,0,1]=4 4116 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [0,2,0,0,0,0|1,0,0]=3 4117 B10R0.55 C=CC(C)SCCCC(C)O 62a_100011215867_200000718107 [0,2,0,0,0,0|1,0,0]=3 4118 B10R0.55 C=CC(C)SCCCN(C)C 62a_100011215867_100000757444 [0,2,0,0,0,0|2,0,0]=4 4119 B10R0.55 C=CC(C)SCCOC(C)C 62a_100011215867_100000211751 [0,2,0,0,0,0|2,0,0]=4 4120 B10R0.55 C=CC(C)SCCSC(C)C 62a_100011215867_100000730970 [0,2,0,0,0,0|2,0,0]=4 4121 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [0,2,0,0,0,0|0,0,2]=4 4122 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,2,0,0,0,0|0,0,0]=2 4123 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [0,2,0,0,0,0|0,0,2]=4 4124 B10R0.55 C=CC(O)COCCC(=C)Br 34a_100009813270_100000730141 [0,2,0,0,0,0|0,0,2]=4 4125 B10R0.55 C=CC(O)COCCC(=C)C 34a_100000764851_100000730141 [0,2,0,0,0,0|0,0,1]=3 4126 B10R0.55 C=CC(O)COCCC(=O)C 34a_100000759926_100000730141 [0,2,0,0,0,0|0,0,1]=3 4127 B10R0.55 C=CC(O)COCCC(=O)C 7a_100000759926_100000730141 [0,2,0,0,0,0|0,0,1]=3 4128 B10R0.55 C=CC(O)COCCC(=O)N 34a_100000757172_100000730141 [0,2,0,0,0,0|1,0,1]=4 4129 B10R0.55 C=CC(O)COCCC(=O)N 7a_100000757172_100000730141 [0,2,0,0,0,0|1,0,1]=4 4130 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [0,2,0,0,0,0|0,0,0]=2 4131 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,2,0,0,0,0|0,0,0]=2 4132 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,2,0,0,0,0|0,0,0]=2 4133 B10R0.55 C=CC(O)COCCC(F)F 34a_100103093639_100000730141 [0,2,0,0,0,0|1,0,0]=3 4134 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [0,2,0,0,0,0|0,0,0]=2 4135 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [0,2,0,0,0,0|0,0,2]=4 4136 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [0,2,0,0,0,0|0,0,2]=4 4137 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730141_100000730704 [0,2,0,0,0,0|0,0,1]=3 4138 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730704_100000730141 [0,2,0,0,0,0|0,0,1]=3 4139 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000053229_100000730141 [0,2,0,0,0,0|0,0,1]=3 4140 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000730141_100000053229 [0,2,0,0,0,0|0,0,1]=3 4141 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000730141_100000744528 [0,2,0,0,0,0|1,0,1]=4 4142 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000744528_100000730141 [0,2,0,0,0,0|1,0,1]=4 4143 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,2,0,0,0,0|0,0,0]=2 4144 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,2,0,0,0,0|0,0,0]=2 4145 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,2,0,0,0,0|0,0,0]=2 4146 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,2,0,0,0,0|0,0,0]=2 4147 B10R0.55 C=CC(O)CSCCN(C)C 62a_100000730141_100000755713 [0,2,0,0,0,0|1,0,0]=3 4148 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000076356_100000730141 [0,2,0,0,0,0|1,0,1]=4 4149 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000730141_100000076356 [0,2,0,0,0,0|1,0,1]=4 4150 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000709892_100000730141 [0,2,0,0,0,0|1,0,0]=3 4151 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000730141_100000709892 [0,2,0,0,0,0|1,0,0]=3 4152 B10R0.55 C=C[C@H](N)COCCC(=C)C 34a_100016989147_100000730704 [0,2,0,0,0,0|1,0,1]=4 4153 B10R0.55 C=C[C@H](N)COCCC(C)C 34a_100016989147_100000210312 [0,2,0,0,0,0|1,0,0]=3 4154 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [0,2,0,0,0,0|1,0,0]=3 4155 B10R0.55 C=C[C@H](N)COCOC(C)C 34a_100016989147_100000709892 [0,2,0,0,0,0|2,0,0]=4 4156 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [0,2,0,0,0,0|1,0,1]=4 4157 B10R0.55 CC(Br)CCOC[C@@H](O)CF 34a_100009893172_100015614560 [0,2,0,0,0,0|1,0,1]=4 4158 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [0,2,0,0,0,0|1,0,1]=4 4159 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,2,0,0,0,0|1,0,1]=4 4160 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,2,0,0,0,0|1,0,1]=4 4161 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,2,0,0,0,0|1,0,1]=4 4162 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,2,0,0,0,0|1,0,1]=4 4163 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,2,0,0,0,0|1,0,1]=4 4164 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,2,0,0,0,0|1,0,1]=4 4165 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,2,0,0,0,0|1,0,1]=4 4166 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,2,0,0,0,0|1,0,1]=4 4167 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,2,0,0,0,0|1,0,1]=4 4168 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,2,0,0,0,0|1,0,1]=4 4169 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,2,0,0,0,0|1,0,1]=4 4170 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,2,0,0,0,0|1,0,1]=4 4171 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,2,0,0,0,0|1,0,1]=4 4172 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,2,0,0,0,0|1,0,1]=4 4173 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [0,2,0,0,0,0|1,0,1]=4 4174 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [0,2,0,0,0,0|1,0,1]=4 4175 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [0,2,0,0,0,0|1,0,1]=4 4176 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [0,2,0,0,0,0|1,0,1]=4 4177 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [0,2,0,0,0,0|1,0,1]=4 4178 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [0,2,0,0,0,0|1,0,1]=4 4179 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [0,2,0,0,0,0|1,0,1]=4 4180 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [0,2,0,0,0,0|1,0,1]=4 4181 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [0,2,0,0,0,0|1,0,1]=4 4182 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [0,2,0,0,0,0|1,0,1]=4 4183 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,2,0,0,0,0|0,0,2]=4 4184 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,2,0,0,0,0|0,0,2]=4 4185 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,2,0,0,0,0|0,0,2]=4 4186 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,2,0,0,0,0|0,0,2]=4 4187 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,2,0,0,0,0|0,0,2]=4 4188 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,2,0,0,0,0|0,0,2]=4 4189 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,2,0,0,0,0|0,0,2]=4 4190 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,2,0,0,0,0|0,0,2]=4 4191 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,2,0,0,0,0|0,0,2]=4 4192 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,2,0,0,0,0|0,0,2]=4 4193 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,2,0,0,0,0|0,0,2]=4 4194 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,2,0,0,0,0|0,0,2]=4 4195 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [0,2,0,0,0,0|1,0,1]=4 4196 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CF 34a_100000706166_100015614560 [0,2,0,0,0,0|1,0,1]=4 4197 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [0,2,0,0,0,0|1,0,1]=4 4198 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,2,0,0,0,0|0,0,2]=4 4199 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,2,0,0,0,0|0,0,2]=4 4200 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,2,0,0,0,0|0,0,2]=4 4201 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,2,0,0,0,0|0,0,2]=4 4202 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,2,0,0,0,0|0,0,2]=4 4203 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,2,0,0,0,0|0,0,2]=4 4204 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,2,0,0,0,0|0,0,2]=4 4205 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,2,0,0,0,0|0,0,2]=4 4206 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|0,0,2]=4 4207 B10R0.74 C#CCCCCOC(C)C=C 34a_100000695699_100010269958 [0,2,0,0,0,0|1,0,1]=4 4208 B10R0.74 C#CCCCCSC(C)C=C 62a_100011215867_100010269958 [0,2,0,0,0,0|1,0,1]=4 4209 B10R0.74 C#CCCCNCC(O)C=C 34a_100000718082_100000730141 [0,2,0,0,0,0|0,0,1]=3 4210 B10R0.74 C#CCCCOCC(C)C=C 34a_100011215527_100000695029 [0,2,0,0,0,0|1,0,1]=4 4211 B10R0.74 C#CCCCOCC(C)C=C 7a_100011215527_100011215417 [0,2,0,0,0,0|1,0,1]=4 4212 B10R0.74 C#CCCCOCC(O)C=C 34a_100000215630_100000730141 [0,2,0,0,0,0|0,0,1]=3 4213 B10R0.74 C#CCCCOCC(O)C=C 7a_100000215630_100000730141 [0,2,0,0,0,0|0,0,1]=3 4214 B10R0.74 C#CCCCOC[C@@H](N)C=C 34a_100016989147_100000695029 [0,2,0,0,0,0|1,0,1]=4 4215 B10R0.74 C#CCCCSCC(O)C=C 62a_100000730141_100011215417 [0,2,0,0,0,0|0,0,1]=3 4216 B10R0.74 C#CCCCSCC(O)C=C 62a_100011215417_100000730141 [0,2,0,0,0,0|0,0,1]=3 4217 B10R0.74 C=CC(=NNCCCCC)C 4a_100000694160_200015361842 [0,2,0,0,0,0|1,0,1]=4 4218 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|0,0,2]=4 4219 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|0,0,2]=4 4220 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|0,0,2]=4 4221 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|0,0,2]=4 4222 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|0,0,2]=4 4223 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|0,0,2]=4 4224 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|0,0,2]=4 4225 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|0,0,2]=4 4226 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|0,0,2]=4 4227 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|0,0,2]=4 4228 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|0,0,2]=4 4229 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|0,0,2]=4 4230 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|0,0,2]=4 4231 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|0,0,2]=4 4232 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|0,0,2]=4 4233 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|0,0,2]=4 4234 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|0,0,2]=4 4235 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|0,0,2]=4 4236 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|0,0,2]=4 4237 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|0,0,2]=4 4238 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|0,0,2]=4 4239 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|0,0,2]=4 4240 B10R0.74 C=CC(C)COC/C=C\CC 34a_100011215527_100103147603 [0,2,0,0,0,0|1,0,1]=4 4241 B10R0.74 C=CC(C)COC/C=C\CC 7a_100011215527_100103147603 [0,2,0,0,0,0|1,0,1]=4 4242 B10R0.74 C=CC(C)COCC#CCC 34a_100011215527_100009813939 [0,2,0,0,0,0|1,0,1]=4 4243 B10R0.74 C=CC(C)COCC#CCC 7a_100011215527_100009813939 [0,2,0,0,0,0|1,0,1]=4 4244 B10R0.74 C=CC(C)COCCCC#N 7a_100011215527_100000687738 [0,2,0,0,0,0|1,0,1]=4 4245 B10R0.74 C=CC(C)COCCCC=O 7a_100011215527_200011292268 [0,2,0,0,0,0|1,0,1]=4 4246 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,2,0,0,0,0|1,0,0]=3 4247 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,2,0,0,0,0|1,0,0]=3 4248 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,2,0,0,0,0|1,0,0]=3 4249 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,2,0,0,0,0|1,0,0]=3 4250 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,2,0,0,0,0|1,0,0]=3 4251 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,2,0,0,0,0|1,0,0]=3 4252 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,2,0,0,0,0|1,0,0]=3 4253 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,2,0,0,0,0|1,0,0]=3 4254 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,2,0,0,0,0|1,0,0]=3 4255 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,2,0,0,0,0|1,0,0]=3 4256 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,2,0,0,0,0|1,0,0]=3 4257 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,2,0,0,0,0|1,0,0]=3 4258 B10R0.74 C=CC(C)OCC/C=C\CC 34a_100000695699_100015370543 [0,2,0,0,0,0|1,0,1]=4 4259 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,0,0,0,0|1,0,0]=3 4260 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,2,0,0,0,0|1,0,0]=3 4261 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,2,0,0,0,0|1,0,0]=3 4262 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,2,0,0,0,0|1,0,0]=3 4263 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,2,0,0,0,0|1,0,0]=3 4264 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,2,0,0,0,0|1,0,0]=3 4265 B10R0.74 C=CC(C)OCCOCCO 34a_100000695699_100000692535 [0,2,0,0,0,0|2,0,0]=4 4266 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,2,0,0,0,0|1,0,0]=3 4267 B10R0.74 C=CC(C)SCC/C=C\CC 62a_100011215867_100015370543 [0,2,0,0,0,0|1,0,1]=4 4268 B10R0.74 C=CC(C)SCCCCC#N 62a_100011215867_100000211819 [0,2,0,0,0,0|1,0,1]=4 4269 B10R0.74 C=CC(C)SCCCCC=O 62a_100011215867_100000139335 [0,2,0,0,0,0|1,0,1]=4 4270 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,2,0,0,0,0|1,0,0]=3 4271 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,2,0,0,0,0|1,0,0]=3 4272 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,2,0,0,0,0|1,0,0]=3 4273 B10R0.74 C=CC(C)SCCCCOC 62a_100011215867_100000730899 [0,2,0,0,0,0|1,0,0]=3 4274 B10R0.74 C=CC(C)SCCCOCC 62a_100011215867_100012232248 [0,2,0,0,0,0|1,0,0]=3 4275 B10R0.74 C=CC(C)SCCOCCC 62a_100011215867_100011215938 [0,2,0,0,0,0|1,0,0]=3 4276 B10R0.74 C=CC(C)SCCOCCO 62a_100011215867_100011215305 [0,2,0,0,0,0|2,0,0]=4 4277 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,2,0,0,0,0|1,0,0]=3 4278 B10R0.74 C=CC(C)SCOCCOC 62a_100011215867_100000231047 [0,2,0,0,0,0|2,0,0]=4 4279 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|0,0,0]=2 4280 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,2,0,0,0,0|0,0,0]=2 4281 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,2,0,0,0,0|0,0,0]=2 4282 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,2,0,0,0,0|0,0,0]=2 4283 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,2,0,0,0,0|0,0,0]=2 4284 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,2,0,0,0,0|0,0,0]=2 4285 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,2,0,0,0,0|0,0,0]=2 4286 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,2,0,0,0,0|0,0,0]=2 4287 B10R0.74 C=CC(O)COC/C=C\CC 34a_100016268518_100000730141 [0,2,0,0,0,0|0,0,1]=3 4288 B10R0.74 C=CC(O)COCC#CCC 34a_100000032950_100000730141 [0,2,0,0,0,0|0,0,1]=3 4289 B10R0.74 C=CC(O)COCC#CCCl 34a_200000047223_100000730141 [0,2,0,0,0,0|0,0,2]=4 4290 B10R0.74 C=CC(O)COCC/C=C/C 34a_100016278192_100000730141 [0,2,0,0,0,0|0,0,1]=3 4291 B10R0.74 C=CC(O)COCCC#CC 34a_100000750427_100000730141 [0,2,0,0,0,0|0,0,1]=3 4292 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,2,0,0,0,0|0,0,0]=2 4293 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|0,0,0]=2 4294 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|0,0,0]=2 4295 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,2,0,0,0,0|0,0,0]=2 4296 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,2,0,0,0,0|0,0,0]=2 4297 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,2,0,0,0,0|0,0,0]=2 4298 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,2,0,0,0,0|0,0,0]=2 4299 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,2,0,0,0,0|0,0,0]=2 4300 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,2,0,0,0,0|0,0,0]=2 4301 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,2,0,0,0,0|0,0,0]=2 4302 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,2,0,0,0,0|0,0,0]=2 4303 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,2,0,0,0,0|0,0,0]=2 4304 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,2,0,0,0,0|0,0,0]=2 4305 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,2,0,0,0,0|0,0,0]=2 4306 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,2,0,0,0,0|0,0,0]=2 4307 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,2,0,0,0,0|0,0,0]=2 4308 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,2,0,0,0,0|0,0,0]=2 4309 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100000730141_100103147603 [0,2,0,0,0,0|0,0,1]=3 4310 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100103147603_100000730141 [0,2,0,0,0,0|0,0,1]=3 4311 B10R0.74 C=CC(O)CSCC#CCC 62a_100000730141_100009813939 [0,2,0,0,0,0|0,0,1]=3 4312 B10R0.74 C=CC(O)CSCC#CCC 62a_100009813939_100000730141 [0,2,0,0,0,0|0,0,1]=3 4313 B10R0.74 C=CC(O)CSCC#CCO 62a_100000730141_200000047223 [0,2,0,0,0,0|0,0,2]=4 4314 B10R0.74 C=CC(O)CSCC#CCO 62a_200000047223_100000730141 [0,2,0,0,0,0|0,0,2]=4 4315 B10R0.74 C=CC(O)CSCCCC#N 62a_100000687738_100000730141 [0,2,0,0,0,0|0,0,1]=3 4316 B10R0.74 C=CC(O)CSCCCC#N 62a_100000730141_100000687738 [0,2,0,0,0,0|0,0,1]=3 4317 B10R0.74 C=CC(O)CSCCCC=O 62a_100000730141_200011292268 [0,2,0,0,0,0|0,0,1]=3 4318 B10R0.74 C=CC(O)CSCCCC=O 62a_200011292268_100000730141 [0,2,0,0,0,0|0,0,1]=3 4319 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|0,0,0]=2 4320 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|0,0,0]=2 4321 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,2,0,0,0,0|0,0,0]=2 4322 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,2,0,0,0,0|0,0,0]=2 4323 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,2,0,0,0,0|0,0,0]=2 4324 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,2,0,0,0,0|0,0,0]=2 4325 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,2,0,0,0,0|0,0,0]=2 4326 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,2,0,0,0,0|0,0,0]=2 4327 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,2,0,0,0,0|0,0,0]=2 4328 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,2,0,0,0,0|0,0,0]=2 4329 B10R0.74 C=CC(O)CSCCSC#N 62a_100000034367_100000730141 [0,2,0,0,0,0|1,0,1]=4 4330 B10R0.74 C=CC(O)CSCCSC#N 62a_100000730141_100000034367 [0,2,0,0,0,0|1,0,1]=4 4331 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,2,0,0,0,0|0,0,0]=2 4332 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,2,0,0,0,0|0,0,0]=2 4333 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|0,0,2]=4 4334 B10R0.74 C=CCCCCOC(C)C=C 34a_100000695699_100011215482 [0,2,0,0,0,0|1,0,1]=4 4335 B10R0.74 C=CCCCCSC(C)C=C 62a_100011215867_100011215482 [0,2,0,0,0,0|1,0,1]=4 4336 B10R0.74 C=CCCCNCC(O)C=C 2230a_100000700776_100000730141 [0,2,0,0,0,0|0,0,1]=3 4337 B10R0.74 C=CCCCNCC(O)C=C 34a_100000700776_100000730141 [0,2,0,0,0,0|0,0,1]=3 4338 B10R0.74 C=CCCCOCC(C)C=C 34a_100011215527_100000757094 [0,2,0,0,0,0|1,0,1]=4 4339 B10R0.74 C=CCCCOCC(C)C=C 7a_100011215527_100000757094 [0,2,0,0,0,0|1,0,1]=4 4340 B10R0.74 C=CCCCOCC(O)C=C 34a_100000758997_100000730141 [0,2,0,0,0,0|0,0,1]=3 4341 B10R0.74 C=CCCCOCC(O)C=C 7a_100000758997_100000730141 [0,2,0,0,0,0|0,0,1]=3 4342 B10R0.74 C=CCCCOC[C@@H](N)C=C 34a_100016989147_100000757094 [0,2,0,0,0,0|1,0,1]=4 4343 B10R0.74 C=CCCCSCC(O)C=C 62a_100000730141_100000757094 [0,2,0,0,0,0|0,0,1]=3 4344 B10R0.74 C=CCCCSCC(O)C=C 62a_100011713584_100000730141 [0,2,0,0,0,0|0,0,1]=3 4345 B10R0.74 C=COCCOCC(O)C=C 34a_100000033082_100000730141 [0,2,0,0,0,0|0,0,2]=4 4346 B10R0.74 C=COCCSCC(O)C=C 62a_100000039644_100000730141 [0,2,0,0,0,0|0,0,2]=4 4347 B10R0.74 C=COCCSCC(O)C=C 62a_100000730141_100000039644 [0,2,0,0,0,0|0,0,2]=4 4348 B10R0.74 C=C[C@H](N)COC/C=C\CC 34a_100016989147_100103147603 [0,2,0,0,0,0|1,0,1]=4 4349 B10R0.74 C=C[C@H](N)COCC#CCC 34a_100016989147_100009813939 [0,2,0,0,0,0|1,0,1]=4 4350 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,0]=3 4351 B10R0.74 C=C[C@H](N)COCCCCF 34a_100016989147_100000729493 [0,2,0,0,0,0|1,0,0]=3 4352 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,2,0,0,0,0|1,0,0]=3 4353 B10R0.74 C=C[C@H](N)COCCCOC 34a_100016989147_100000740836 [0,2,0,0,0,0|1,0,0]=3 4354 B10R0.74 C=C[C@H](N)COCCOCC 34a_100016989147_100000210147 [0,2,0,0,0,0|1,0,0]=3 4355 B10R0.74 C=C[C@H](N)COCCSCC 34a_100016989147_100000757381 [0,2,0,0,0,0|1,0,0]=3 4356 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,2,0,0,0,0|0,0,2]=4 4357 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 4358 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,2,0,0,0,0|0,0,2]=4 4359 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 4360 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,2,0,0,0,0|0,0,2]=4 4361 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,2,0,0,0,0|0,0,2]=4 4362 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,2,0,0,0,0|0,0,2]=4 4363 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,2,0,0,0,0|0,0,2]=4 4364 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 4365 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 4366 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,2,0,0,0,0|0,0,2]=4 4367 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,2,0,0,0,0|0,0,2]=4 4368 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,2,0,0,0,0|0,0,2]=4 4369 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 4370 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,2,0,0,0,0|0,0,2]=4 4371 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,2,0,0,0,0|0,0,2]=4 4372 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|0,0,2]=4 4373 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|0,0,2]=4 4374 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,2,0,0,0,0|0,0,2]=4 4375 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,2,0,0,0,0|0,0,2]=4 4376 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 4377 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,2,0,0,0,0|0,0,2]=4 4378 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,2,0,0,0,0|0,0,2]=4 4379 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,2,0,0,0,0|0,0,2]=4 4380 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|0,0,2]=4 4381 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|0,0,2]=4 4382 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|1,0,1]=4 4383 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|1,0,1]=4 4384 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|1,0,1]=4 4385 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|1,0,1]=4 4386 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|0,0,2]=4 4387 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|0,0,2]=4 4388 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|1,0,1]=4 4389 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|1,0,1]=4 4390 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 4391 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 4392 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|1,0,1]=4 4393 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|1,0,1]=4 4394 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|0,0,2]=4 4395 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|0,0,2]=4 4396 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|1,0,1]=4 4397 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|1,0,1]=4 4398 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|1,0,1]=4 4399 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|1,0,1]=4 4400 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|1,0,1]=4 4401 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|1,0,1]=4 4402 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,2,0,0,0,0|0,0,2]=4 4403 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,2,0,0,0,0|0,0,2]=4 4404 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,2,0,0,0,0|0,0,2]=4 4405 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,2,0,0,0,0|1,0,1]=4 4406 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,2,0,0,0,0|1,0,1]=4 4407 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,2,0,0,0,0|1,0,1]=4 4408 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,2,0,0,0,0|1,0,1]=4 4409 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,2,0,0,0,0|1,0,1]=4 4410 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,2,0,0,0,0|1,0,1]=4 4411 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,2,0,0,0,0|1,0,1]=4 4412 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,2,0,0,0,0|0,0,2]=4 4413 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,2,0,0,0,0|0,0,2]=4 4414 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,2,0,0,0,0|1,0,1]=4 4415 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,2,0,0,0,0|1,0,1]=4 4416 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,2,0,0,0,0|1,0,1]=4 4417 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,2,0,0,0,0|1,0,1]=4 4418 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,2,0,0,0,0|1,0,1]=4 4419 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,2,0,0,0,0|1,0,1]=4 4420 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,2,0,0,0,0|0,0,2]=4 4421 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,2,0,0,0,0|0,0,2]=4 4422 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,2,0,0,0,0|1,0,1]=4 4423 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,2,0,0,0,0|1,0,1]=4 4424 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,2,0,0,0,0|1,0,1]=4 4425 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,2,0,0,0,0|1,0,1]=4 4426 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,2,0,0,0,0|1,0,1]=4 4427 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,2,0,0,0,0|1,0,1]=4 4428 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,2,0,0,0,0|0,0,2]=4 4429 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,2,0,0,0,0|0,0,2]=4 4430 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,2,0,0,0,0|1,0,1]=4 4431 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,2,0,0,0,0|1,0,1]=4 4432 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,2,0,0,0,0|1,0,1]=4 4433 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,2,0,0,0,0|1,0,1]=4 4434 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,2,0,0,0,0|0,0,2]=4 4435 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,2,0,0,0,0|0,0,2]=4 4436 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,2,0,0,0,0|1,0,1]=4 4437 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,2,0,0,0,0|1,0,1]=4 4438 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,2,0,0,0,0|1,0,1]=4 4439 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,2,0,0,0,0|1,0,1]=4 4440 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,2,0,0,0,0|1,0,1]=4 4441 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,2,0,0,0,0|1,0,1]=4 4442 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,2,0,0,0,0|0,0,2]=4 4443 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,2,0,0,0,0|0,0,2]=4 4444 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,2,0,0,0,0|1,0,1]=4 4445 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,2,0,0,0,0|1,0,1]=4 4446 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,2,0,0,0,0|1,0,1]=4 4447 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,2,0,0,0,0|1,0,1]=4 4448 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,2,0,0,0,0|1,0,1]=4 4449 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,2,0,0,0,0|1,0,1]=4 4450 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,2,0,0,0,0|1,0,1]=4 4451 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,2,0,0,0,0|1,0,1]=4 4452 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,2,0,0,0,0|1,0,1]=4 4453 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,2,0,0,0,0|1,0,1]=4 4454 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,2,0,0,0,0|1,0,1]=4 4455 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,2,0,0,0,0|1,0,1]=4 4457 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,2,0,0,0,0|1,0,1]=4 4458 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,2,0,0,0,0|1,0,1]=4 4459 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,2,0,0,0,0|1,0,1]=4 4460 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,2,0,0,0,0|1,0,1]=4 4461 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,2,0,0,0,0|1,0,1]=4 4462 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,2,0,0,0,0|1,0,1]=4 4463 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,2,0,0,0,0|1,0,1]=4 4464 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,2,0,0,0,0|1,0,1]=4 4465 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,2,0,0,0,0|1,0,1]=4 4466 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,2,0,0,0,0|1,0,1]=4 4467 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,2,0,0,0,0|1,0,1]=4 4468 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,2,0,0,0,0|1,0,1]=4 4469 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,2,0,0,0,0|1,0,1]=4 4470 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,2,0,0,0,0|1,0,1]=4 4471 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,2,0,0,0,0|1,0,1]=4 4472 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,2,0,0,0,0|1,0,1]=4 4473 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,2,0,0,0,0|1,0,1]=4 4474 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,2,0,0,0,0|1,0,1]=4 4475 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,1]=4 4476 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,1]=4 4477 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,1]=4 4478 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,2,0,0,0,0|1,0,1]=4 4479 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,2,0,0,0,0|1,0,1]=4 4480 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,2,0,0,0,0|1,0,1]=4 4481 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,2,0,0,0,0|1,0,1]=4 4482 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,2,0,0,0,0|1,0,1]=4 4483 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,2,0,0,0,0|1,0,1]=4 4484 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,2,0,0,0,0|1,0,1]=4 4485 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,2,0,0,0,0|1,0,1]=4 4486 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,2,0,0,0,0|1,0,1]=4 4487 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,1]=4 4488 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,2,0,0,0,0|1,0,1]=4 4489 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,1]=4 4490 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,2,0,0,0,0|1,0,1]=4 4491 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,1]=4 4492 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,2,0,0,0,0|1,0,1]=4 4493 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,2,0,0,0,0|1,0,1]=4 4494 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,2,0,0,0,0|1,0,1]=4 4495 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,2,0,0,0,0|1,0,1]=4 4496 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,2,0,0,0,0|1,0,1]=4 4497 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,2,0,0,0,0|1,0,1]=4 4498 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,2,0,0,0,0|1,0,1]=4 4499 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,2,0,0,0,0|1,0,1]=4 4500 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,2,0,0,0,0|1,0,1]=4 4501 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,2,0,0,0,0|1,0,1]=4 4502 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,2,0,0,0,0|1,0,1]=4 4503 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,2,0,0,0,0|1,0,1]=4 4504 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,2,0,0,0,0|1,0,1]=4 4505 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,2,0,0,0,0|1,0,1]=4 4506 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,2,0,0,0,0|1,0,1]=4 4507 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,2,0,0,0,0|1,0,1]=4 4508 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,2,0,0,0,0|1,0,1]=4 4509 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,2,0,0,0,0|1,0,1]=4 4510 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,2,0,0,0,0|1,0,1]=4 4511 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,2,0,0,0,0|1,0,1]=4 4512 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,2,0,0,0,0|1,0,1]=4 4513 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,2,0,0,0,0|1,0,1]=4 4514 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,2,0,0,0,0|1,0,1]=4 4515 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,2,0,0,0,0|1,0,1]=4 4516 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,2,0,0,0,0|0,0,2]=4 4517 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,2,0,0,0,0|0,0,2]=4 4518 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|0,0,2]=4 4519 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|0,0,2]=4 4520 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|0,0,2]=4 4521 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|0,0,2]=4 4522 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|0,0,2]=4 4523 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|0,0,2]=4 4524 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|0,0,2]=4 4525 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|0,0,2]=4 4526 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|0,0,2]=4 4527 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|1,0,0]=3 4528 B10R0.75 C=C(C)C(C)NCCCCO 269862a_100000750430_100011216138 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.75 C=C(C)C(C)NCCCOC 269862a_100150723488_100011216138 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.75 C=C(C)C(C)NCCCSC 269862a_100000749238_100011216138 [0,2,0,0,0,0|2,0,0]=4 4531 B10R0.75 C=C(C)C(C)NCCOCC 269862a_100011200944_100011216138 [0,2,0,0,0,0|2,0,0]=4 4532 B10R0.75 C=C(C)C(C)NCCSCC 269862a_100000106463_100011216138 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,2,0,0,0,0|0,0,2]=4 4534 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,2,0,0,0,0|0,0,2]=4 4535 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,2,0,0,0,0|0,0,2]=4 4536 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,2,0,0,0,0|0,0,2]=4 4537 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|1,0,1]=4 4538 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,1]=3 4539 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,1]=3 4540 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|1,0,1]=4 4541 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|2,0,0]=4 4545 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|2,0,0]=4 4546 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|1,0,1]=4 4547 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|1,0,1]=4 4548 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 4549 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 4550 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 4551 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 4552 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|2,0,0]=4 4553 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|2,0,0]=4 4555 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|2,0,0]=4 4556 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|1,0,1]=4 4557 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|1,0,1]=4 4558 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|2,0,0]=4 4562 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|2,0,0]=4 4563 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|2,0,0]=4 4564 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|2,0,0]=4 4565 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|2,0,0]=4 4566 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,2,0,0,0,0|0,0,2]=4 4567 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|0,0,2]=4 4568 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|1,0,1]=4 4569 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|1,0,1]=4 4570 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 4571 B10R0.86 C=CC(OCCCC)C(C)C 34a_100000732651_100000210210 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.86 C=CC(OCCCC)C(C)C 7a_100000732651_100000210211 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|1,0,0]=3 4574 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,2,0,0,0,0|2,0,0]=4 4576 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [0,2,0,0,0,0|2,0,0]=4 4577 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [0,2,0,0,0,0|2,0,0]=4 4578 B10R0.86 C=C[C@H](NCOCC)C(=O)O 269956a_100016992060_100000739092 [0,2,0,0,0,0|2,0,0]=4 4579 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|1,0,1]=4 4580 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|1,0,1]=4 4581 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,2,0,0,0,0|0,0,2]=4 4582 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,2,0,0,0,0|0,0,2]=4 4583 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,2,0,0,0,0|0,0,2]=4 4584 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,2,0,0,0,0|0,0,2]=4 4585 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.86 CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210211 [0,2,0,0,0,0|2,0,0]=4 4587 B10R0.86 CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 4588 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|1,0,0]=3 4589 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|1,0,0]=3 4590 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 4591 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,1]=4 4592 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 4593 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,1]=4 4594 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,1]=4 4595 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|1,0,0]=3 4596 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 4597 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,1]=4 4598 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 4599 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,0]=3 4600 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,0]=3 4601 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 4602 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 4603 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 4604 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 4605 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|1,0,0]=3 4606 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 4607 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 4608 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,0]=3 4609 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,0]=3 4610 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 4611 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 4612 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 4613 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 4614 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 4615 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 4616 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 4617 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 4618 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [1,0,0,1,0,0|1,0,0]=3 4619 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [1,0,0,1,0,0|1,0,0]=3 4620 B8R1.8 C=CCN1CCSC1 2230a_100011215254_100000210623 [1,0,0,1,0,0|2,0,0]=4 4621 B8R1.8 C=CCN1CCSC1 269982a_100011215254_100000210623 [1,0,0,1,0,0|2,0,0]=4 4622 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 4623 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 4624 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,1]=4 4625 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 4626 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,1]=4 4627 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 4628 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 4629 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,1]=4 4630 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 4631 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 4632 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 4633 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,0,0,1,0,0|2,0,0]=4 4634 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,0,0,1,0,0|2,0,0]=4 4635 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 4636 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 4637 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 4638 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 4639 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 4640 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 4641 B8R1.9 C=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210623 [1,0,0,1,0,0|2,0,0]=4 4642 B8R1.9 C=CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210623 [1,0,0,1,0,0|2,0,0]=4 4643 B8R1.9 C=CCN[C@@H]1C[C@H]1F 34a_100025746932_100015514636 [1,0,0,1,0,0|2,0,0]=4 4644 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [1,0,0,1,0,0|1,0,0]=3 4645 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [1,0,0,1,0,0|1,0,0]=3 4646 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [1,0,0,1,0,0|1,0,0]=3 4647 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [1,0,0,1,0,0|1,0,0]=3 4648 B8R1.10 C=CCNC1COC1 2230a_100016991112_100000210623 [1,0,0,1,0,0|2,0,0]=4 4649 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [1,0,0,1,0,0|1,0,0]=3 4650 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [1,0,0,1,0,0|1,0,0]=3 4651 B8R1.10 C=CCOC1COC1 34a_200000210373_100009818527 [1,0,0,1,0,0|2,0,0]=4 4652 B8R1.10 C=CCOC1CSC1 7a_100000072292_100015514636 [1,0,0,1,0,0|2,0,0]=4 4653 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [1,0,0,1,0,0|1,0,0]=3 4654 B8R1.10 C=CCSC1COC1 62a_100000210623_100009818527 [1,0,0,1,0,0|2,0,0]=4 4655 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|2,0,0]=4 4656 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|2,0,0]=4 4657 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|2,0,0]=4 4658 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|2,0,0]=4 4659 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 4660 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 4661 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 4662 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 4663 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 4664 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 4665 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 4666 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 4667 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 4668 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 4669 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 4670 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,1]=4 4671 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 4672 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 4673 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 4674 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 4675 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|2,0,0]=4 4676 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|2,0,0]=4 4677 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 4678 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|2,0,0]=4 4679 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|2,0,0]=4 4680 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [1,0,0,1,0,0|1,0,0]=3 4681 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [1,0,0,1,0,0|1,0,0]=3 4682 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|2,0,0]=4 4683 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|2,0,0]=4 4684 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|2,0,0]=4 4685 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|2,0,0]=4 4686 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|2,0,0]=4 4687 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 4688 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 4689 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 4690 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 4691 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 4692 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 4693 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|1,0,0]=3 4694 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|1,0,0]=3 4695 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|1,0,0]=3 4696 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [1,0,0,1,0,0|1,0,0]=3 4697 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [1,0,0,1,0,0|1,0,0]=3 4698 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [1,0,0,1,0,0|1,0,0]=3 4699 B8R1.36 C=CCNCC1CO1 2230a_100020586998_100011216344 [1,0,0,1,0,0|2,0,0]=4 4700 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [1,0,0,1,0,0|1,0,0]=3 4701 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [1,0,0,1,0,0|1,0,0]=3 4702 B8R1.36 C=CCOCC1CO1 34a_200000210373_102125554688 [1,0,0,1,0,0|2,0,0]=4 4703 B8R1.36 C=CCOC[C@@H]1CO1 34a_100000757423_100015514636 [1,0,0,1,0,0|2,0,0]=4 4704 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [1,0,0,1,0,0|1,0,0]=3 4705 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [1,0,0,1,0,0|1,0,0]=3 4706 B8R1.36 C=CCSCC1CO1 62a_100000210623_102125554688 [1,0,0,1,0,0|2,0,0]=4 4707 B8R1.36 C=CCSCC1CO1 62a_102125554688_100000210623 [1,0,0,1,0,0|2,0,0]=4 4708 B8R1.36 C=CCSCC1CS1 62a_100000031435_100000210623 [1,0,0,1,0,0|2,0,0]=4 4709 B8R1.36 C=CCSCC1CS1 62a_100000210623_100000031435 [1,0,0,1,0,0|2,0,0]=4 4710 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000210623_100000745022 [1,0,0,1,0,0|2,0,0]=4 4711 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000745022_100000210623 [1,0,0,1,0,0|2,0,0]=4 4712 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|2,0,0]=4 4713 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|2,0,0]=4 4714 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|2,0,0]=4 4715 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|2,0,0]=4 4716 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|2,0,0]=4 4717 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|0,0,2]=4 4718 B8R1.38 C=CC(C)N1CCC1 269982a_100000754969_100011215867 [1,0,0,1,0,0|2,0,0]=4 4719 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|0,0,2]=4 4720 B8R1.40 C=CC(C)OC1CC1 34a_100000695699_100000211595 [1,0,0,1,0,0|2,0,0]=4 4721 B8R1.40 C=CC(C)SC1CC1 62a_100011215867_100000211595 [1,0,0,1,0,0|2,0,0]=4 4722 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,0,0,1,0,0|1,0,1]=4 4723 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,0,0,1,0,0|1,0,1]=4 4724 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,0,0,1,0,0|1,0,1]=4 4725 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,0,0,1,0,0|1,0,1]=4 4726 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [1,0,0,1,0,0|1,0,1]=4 4727 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [1,0,0,1,0,0|1,0,1]=4 4728 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [1,0,0,1,0,0|1,0,1]=4 4729 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [1,0,0,1,0,0|1,0,1]=4 4730 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [1,0,0,1,0,0|1,0,1]=4 4731 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [1,0,0,1,0,0|1,0,1]=4 4732 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [1,0,0,1,0,0|1,0,1]=4 4733 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [1,0,0,1,0,0|1,0,1]=4 4734 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [1,0,0,1,0,0|1,0,1]=4 4735 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [1,0,0,1,0,0|1,0,1]=4 4736 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [1,0,0,1,0,0|1,0,1]=4 4737 B10R1.14 C=CC(C)N1CCC(C1)O 269982a_100011215560_100011215867 [0,1,0,1,0,0|2,0,0]=4 4738 B10R1.14 C=CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100011215867 [0,1,0,1,0,0|2,0,0]=4 4739 B10R1.14 C=CC(C)N1CC[C@H](C1)C 269982a_100016987628_100011215867 [0,1,0,1,0,0|2,0,0]=4 4740 B10R1.150 C=CC(O)CN1CC(C1)C 2230a_100000702820_100000730141 [0,1,0,1,0,0|1,0,0]=3 4741 B10R1.150 C=CC(O)CN1CC(C1)C 34a_100000702820_100000730141 [0,1,0,1,0,0|1,0,0]=3 4742 B10R1.150 C=CC(O)CN1CC(C1)F 2230a_100000690557_100000730141 [0,1,0,1,0,0|1,0,0]=3 4743 B10R1.150 C=CC(O)CN1CC(C1)F 34a_100000690557_100000730141 [0,1,0,1,0,0|1,0,0]=3 4744 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|0,0,2]=4 4745 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|0,0,2]=4 4746 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|0,0,2]=4 4747 B10R1.153 C=CC(C)COCC1CC1 34a_100011215527_100000742324 [0,1,0,1,0,0|1,0,0]=3 4748 B10R1.153 C=CC(C)COCC1CC1 7a_100011215527_100000742324 [0,1,0,1,0,0|1,0,0]=3 4749 B10R1.153 C=CC(C)COCC1CO1 34a_100011215527_102125554688 [0,1,0,1,0,0|2,0,0]=4 4750 B10R1.153 C=CC(C)COCC1CO1 7a_100011215527_102125554688 [0,1,0,1,0,0|2,0,0]=4 4751 B10R1.153 C=CC(C)COCC1CS1 7a_100011215527_100000031435 [0,1,0,1,0,0|2,0,0]=4 4752 B10R1.153 C=CC(C)COC[C@@H]1CO1 7a_100011215527_100000745022 [0,1,0,1,0,0|2,0,0]=4 4753 B10R1.153 C=CC(C)OCCC1CC1 34a_100000695699_100000694398 [0,1,0,1,0,0|1,0,0]=3 4754 B10R1.153 C=CC(C)OCCC1CO1 34a_100000695699_100000732470 [0,1,0,1,0,0|2,0,0]=4 4755 B10R1.153 C=CC(C)SCCC1CC1 62a_100011215867_100000764125 [0,1,0,1,0,0|1,0,0]=3 4756 B10R1.153 C=CC(C)SCCC1CO1 62a_100011215867_100000732470 [0,1,0,1,0,0|2,0,0]=4 4757 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [0,1,0,1,0,0|0,0,0]=2 4758 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [0,1,0,1,0,0|0,0,0]=2 4759 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [0,1,0,1,0,0|0,0,0]=2 4760 B10R1.153 C=CC(O)COC[C@@H]1CO1 34a_100000757423_100000730141 [0,1,0,1,0,0|1,0,0]=3 4761 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [0,1,0,1,0,0|0,0,0]=2 4762 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [0,1,0,1,0,0|0,0,0]=2 4763 B10R1.153 C=CC(O)CSCC1CO1 62a_100000730141_102125554688 [0,1,0,1,0,0|1,0,0]=3 4764 B10R1.153 C=CC(O)CSCC1CO1 62a_102125554688_100000730141 [0,1,0,1,0,0|1,0,0]=3 4765 B10R1.153 C=CC(O)CSCC1CS1 62a_100000031435_100000730141 [0,1,0,1,0,0|1,0,0]=3 4766 B10R1.153 C=CC(O)CSCC1CS1 62a_100000730141_100000031435 [0,1,0,1,0,0|1,0,0]=3 4767 B10R1.153 C=CC(O)CSC[C@@H]1CO1 62a_100000730141_100000745022 [0,1,0,1,0,0|1,0,0]=3 4768 B10R1.153 C=CC(O)CSC[C@@H]1CO1 62a_100000745022_100000730141 [0,1,0,1,0,0|1,0,0]=3 4769 B10R1.153 C=C[C@H](N)COCC1CC1 34a_100016989147_100000742324 [0,1,0,1,0,0|1,0,0]=3 4770 B10R1.153 C=C[C@H](N)COCC1CO1 34a_100016989147_102125554688 [0,1,0,1,0,0|2,0,0]=4 4771 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,1,0,1,0,0|0,0,2]=4 4772 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,1,0,1,0,0|0,0,2]=4 4773 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,1,0,1,0,0|0,0,2]=4 4774 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,1,0,1,0,0|0,0,2]=4 4775 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,1,0,1,0,0|0,0,2]=4 4776 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [0,1,0,1,0,0|0,0,2]=4 4777 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [0,1,0,1,0,0|0,0,2]=4 4778 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [0,1,0,1,0,0|1,0,1]=4 4779 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [0,1,0,1,0,0|1,0,1]=4 4780 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [0,1,0,1,0,0|1,0,1]=4 4781 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [0,1,0,1,0,0|1,0,1]=4 4782 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [0,1,0,1,0,0|1,0,1]=4 4783 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [0,1,0,1,0,0|1,0,1]=4 4784 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [0,1,0,1,0,0|1,0,1]=4 4785 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [0,1,0,1,0,0|1,0,1]=4 4786 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [0,1,0,1,0,0|1,0,1]=4 4787 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [0,1,0,1,0,0|1,0,1]=4 4788 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [0,1,0,1,0,0|1,0,1]=4 4789 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [0,1,0,1,0,0|1,0,1]=4 4790 B10R1.153 O[C@@H](CF)CNCC1CC1 2230a_100000735609_100015614560 [0,1,0,1,0,0|1,0,1]=4 4791 B10R1.153 O[C@@H](CF)CNCC1CC1 34a_100000735609_100015614560 [0,1,0,1,0,0|1,0,1]=4 4792 B10R1.153 O[C@@H](CF)COCC1CC1 34a_100000211283_100015614560 [0,1,0,1,0,0|1,0,1]=4 4793 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100000756562_100015614560 [0,1,0,1,0,0|1,0,1]=4 4794 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100015614560_100000742324 [0,1,0,1,0,0|1,0,1]=4 4795 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,1,0,1,0,0|0,0,2]=4 4796 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,1,0,1,0,0|0,0,2]=4 4797 B10R1.206 C=CC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000730141 [0,1,0,1,0,0|1,0,0]=3 4798 B10R1.206 C=CC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000730141 [0,1,0,1,0,0|1,0,0]=3 4799 B10R1.206 C=CC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000730141 [0,1,0,1,0,0|1,0,0]=3 4800 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [0,1,0,1,0,0|2,0,0]=4 4801 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [0,1,0,1,0,0|2,0,0]=4 4802 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [0,1,0,1,0,0|2,0,0]=4 4803 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,1,0,1,0,0|0,0,2]=4 4804 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,1,0,1,0,0|0,0,2]=4 4805 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 4806 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000207505_100000210623 [0,1,0,1,0,0|2,0,0]=4 4807 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000225617_100000179811 [0,1,0,1,0,0|2,0,0]=4 4808 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 4809 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000207505_100000210623 [0,1,0,1,0,0|2,0,0]=4 4810 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000225617_100000179811 [0,1,0,1,0,0|2,0,0]=4 4811 B10R1.11 C=CCN(C)C1CCCC1 270004a_100000225617_100000210133 [0,1,0,1,0,0|2,0,0]=4 4812 B10R1.11 C=CCN(C)C1CCCC1 34a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 4813 B10R1.11 C=CCN(C)C1CCCC1 34a_100000207505_100015514636 [0,1,0,1,0,0|2,0,0]=4 4814 B10R1.11 C=CCN([13CH3])C1CCCC1 2230a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 4815 B10R1.11 C=CCN([13CH3])C1CCCC1 269982a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 4816 B10R1.11 C=CCN([13CH3])C1CCCC1 34a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 4817 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|0,0,2]=4 4818 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,1,0,1,0,0|0,0,2]=4 4819 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,1,0,1,0,0|0,0,2]=4 4820 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,1,0,1,0,0|0,0,2]=4 4821 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|2,0,0]=4 4822 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|1,1,0]=4 4823 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|1,1,0]=4 4824 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|1,1,0]=4 4825 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|1,1,0]=4 4826 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,1,0,1,0,0|2,0,0]=4 4827 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,1,0,1,0,0|2,0,0]=4 4828 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,1,0,0|1,0,1]=4 4829 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,1,0,0|1,0,1]=4 4830 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,1,0,0|1,0,1]=4 4831 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,1,0,0|1,0,1]=4 4832 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,1,0,1,0,0|1,0,1]=4 4833 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,1,0,1,0,0|1,0,1]=4 4834 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,1,0,1,0,0|1,0,1]=4 4835 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,1,0,1,0,0|1,0,1]=4 4836 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,1,0,1,0,0|1,0,1]=4 4837 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,1,0,1,0,0|1,0,1]=4 4838 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,1,0,0|1,0,1]=4 4839 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,1,0,0|1,0,1]=4 4840 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,1,0,0|1,0,1]=4 4841 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,1,0,0|1,0,1]=4 4842 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,1,0,0|1,0,1]=4 4843 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,1,0,0|1,0,1]=4 4844 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,1,0,0|1,0,1]=4 4845 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,1,0,0|1,0,1]=4 4846 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,1,0,1,0,0|1,0,1]=4 4847 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,1,0,1,0,0|1,0,1]=4 4848 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,1,0,1,0,0|1,0,1]=4 4849 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,1,0,1,0,0|2,0,0]=4 4850 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,1,0,0|1,0,1]=4 4851 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,1,0,1,0,0|1,0,1]=4 4852 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,1,0,0|1,0,1]=4 4853 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,1,0,1,0,0|1,0,1]=4 4854 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,1,0,1,0,0|1,0,1]=4 4855 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,1,0,1,0,0|1,0,1]=4 4856 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,1,0,1,0,0|1,0,1]=4 4857 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,1,0,1,0,0|1,0,1]=4 4858 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,1,0,1,0,0|1,0,1]=4 4859 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,1,0,1,0,0|1,0,1]=4 4860 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,1,0,0|1,0,1]=4 4861 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,1,0,0|1,0,1]=4 4862 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,1,0,1,0,0|2,0,0]=4 4863 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,1,0,1,0,0|2,0,0]=4 4864 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,1,0,1,0,0|2,0,0]=4 4865 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,1,0,1,0,0|2,0,0]=4 4866 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 4867 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 4868 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 4869 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 4870 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 4871 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 4872 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,1,0,0|0,0,2]=4 4873 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [0,1,0,1,0,0|1,0,1]=4 4874 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,1,0,1,0,0|2,0,0]=4 4875 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,1,0,1,0,0|2,0,0]=4 4876 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,1,0,1,0,0|2,0,0]=4 4877 B10R1.96 CCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000210202 [0,1,0,1,0,0|1,0,0]=3 4878 B10R1.96 CCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000210202 [0,1,0,1,0,0|1,0,0]=3 4879 B10R1.96 OC[C@@H]1C=C[C@@H](C1)NCF 34a_100020646542_100015361967 [0,1,0,1,0,0|2,0,0]=4 4880 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,1,0,1,0,0|0,0,2]=4 4881 B10R1.137 C/C=C/C(C)OC1CCC1 34a_200102604097_100000749161 [0,1,0,1,0,0|2,0,0]=4 4882 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,1,0,1,0,0|0,0,2]=4 4883 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,1,0,1,0,0|0,0,2]=4 4884 B10R1.137 C=CCN(C)CC1CCC1 2230a_100000225617_100000763275 [0,1,0,1,0,0|2,0,0]=4 4885 B10R1.137 C=CCN(C)CC1CCC1 2230a_200000750244_100000210623 [0,1,0,1,0,0|2,0,0]=4 4886 B10R1.137 C=CCN(C)CC1CCC1 269982a_100000225617_100000763275 [0,1,0,1,0,0|2,0,0]=4 4887 B10R1.137 C=CCN(C)CC1CCC1 269982a_200000750244_100000210623 [0,1,0,1,0,0|2,0,0]=4 4888 B10R1.137 C=CCN(C)CC1CCC1 34a_200000750244_100015514636 [0,1,0,1,0,0|2,0,0]=4 4889 B10R1.137 C=CC[C@@H](C)OC1CCC1 34a_100000731007_100000749161 [0,1,0,1,0,0|2,0,0]=4 4890 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|0,0,2]=4 4891 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,1,0,1,0,0|0,0,2]=4 4892 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,1,0,1,0,0|0,0,2]=4 4893 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,1,0,1,0,0|0,0,2]=4 4894 B10R1.138 C/C=C/C(C)OCC1CC1 34a_200102604097_100000742324 [0,1,0,1,0,0|2,0,0]=4 4895 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,1,0,1,0,0|0,0,2]=4 4896 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,1,0,1,0,0|0,0,2]=4 4897 B10R1.138 C=CCC(C)COC1CC1 34a_100009832082_100000211595 [0,1,0,1,0,0|2,0,0]=4 4898 B10R1.138 C=CCN(C)CCC1CC1 2230a_100000225617_100000694398 [0,1,0,1,0,0|2,0,0]=4 4899 B10R1.138 C=CCN(C)CCC1CC1 269982a_100000225617_100000694398 [0,1,0,1,0,0|2,0,0]=4 4900 B10R1.138 C=CC[C@@H](C)OCC1CC1 34a_100000731007_100000742324 [0,1,0,1,0,0|2,0,0]=4 4901 B10R1.138 C=CC[C@@H](C)OCC1CC1 7a_100000731007_100000742324 [0,1,0,1,0,0|2,0,0]=4 4902 B10R1.138 C=CC[C@@H](N)COC1CC1 34a_100020615467_100000211595 [0,1,0,1,0,0|2,0,0]=4 4903 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,1,0,1,0,0|0,0,2]=4 4904 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,1,0,1,0,0|0,0,2]=4 4905 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,1,0,1,0,0|0,0,2]=4 4906 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,1,0,1,0,0|0,0,2]=4 4907 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [0,1,0,1,0,0|0,0,2]=4 4908 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [0,1,0,1,0,0|0,0,2]=4 4909 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [0,1,0,1,0,0|0,0,2]=4 4910 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [0,1,0,1,0,0|0,0,2]=4 4911 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|0,0,2]=4 4912 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|0,0,2]=4 4913 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,1,0,0|0,0,2]=4 4914 B10R1.15 C=CC(C)N1CCCOC1 269982a_100000131196_100011215867 [0,1,0,1,0,0|2,0,0]=4 4915 B10R1.15 C=CC(C)N1CCOCC1 269982a_100015191051_100011215867 [0,1,0,1,0,0|2,0,0]=4 4916 B10R1.15 C=CC(C)N1CCSCC1 269982a_100000737611_100011215867 [0,1,0,1,0,0|2,0,0]=4 4917 B10R1.169 C=CC(C)N1CC(C1)CC 269982a_100015205115_100011215867 [0,1,0,1,0,0|2,0,0]=4 4918 B10R1.182 C=CC(C)C(=O)C1CCC1 1458a_100011216780_100000749161 [0,1,0,1,0,0|1,0,1]=4 4919 B10R1.182 C=CC(C)N(C)C1CCC1 269982a_100000758072_100011215867 [0,1,0,1,0,0|2,0,0]=4 4920 B10R1.184 C=CC(C)C(=O)CC1CC1 1458a_100011216780_100000742324 [0,1,0,1,0,0|1,0,1]=4 4921 B10R1.184 C=CC(C)N(C)CC1CC1 269982a_100000741881_100011215867 [0,1,0,1,0,0|2,0,0]=4 4922 B10R1.184 C=C[C@@H](C)[C@@H](C)OC1CC1 34a_100015455354_100000211595 [0,1,0,1,0,0|2,0,0]=4 4923 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,1,0,1,0,0|0,0,2]=4 4924 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,1,0,1,0,0|0,0,2]=4 4925 B10R1.6 C=CC(F)(F)N1CCCC1 269982a_100000188435_100009814244 [0,1,0,1,0,0|2,0,0]=4 4926 B10R1.102 C=CC(C)(C)OC1CCC1 34a_100011215311_100000749161 [0,1,0,1,0,0|2,0,0]=4 4927 B10R1.102 C=CC(F)(F)SC1CCC1 62a_100009814244_100000749161 [0,1,0,1,0,0|2,0,0]=4 4928 B10R1.103 C=CC(C)(C)OCC1CC1 34a_100011215311_100000742324 [0,1,0,1,0,0|2,0,0]=4 4929 B10R1.103 C=CC(C)(C)OCC1CC1 7a_100011215311_100000742324 [0,1,0,1,0,0|2,0,0]=4 4930 B10R1.103 C=CC(F)(F)SCC1CC1 62a_100000756562_100009814244 [0,1,0,1,0,0|2,0,0]=4 4931 B10R1.103 C=CC(F)(F)SCC1CC1 62a_100009814244_100000742324 [0,1,0,1,0,0|2,0,0]=4 4932 B10R1.104 C=CC(F)(F)N1CCC1C 269982a_100000755817_100009814244 [0,1,0,1,0,0|2,0,0]=4 4933 B10R1.3 CCC1CCC(CC1)OC 34a_100011215326_200000210301 [0,1,0,1,0,0|0,0,2]=4 4934 B10R1.3 CCC1CCC(CC1)OC 7a_100011215326_200000210301 [0,1,0,1,0,0|0,0,2]=4 4935 B10R1.3 CCC1CCC(CC1)O[13CH3] 34a_100011215326_200025704644 [0,1,0,1,0,0|0,0,2]=4 4936 B10R1.3 CCC1CCC(CC1)O[13CH3] 7a_100011215326_200025704644 [0,1,0,1,0,0|0,0,2]=4 4937 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,1,0,1,0,0|0,0,2]=4 4938 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,1,0,1,0,0|0,0,2]=4 4939 B10R1.151 C=CC(C)COC1CCC1 34a_100011215527_100000749161 [0,1,0,1,0,0|1,0,0]=3 4940 B10R1.151 C=CC(C)COC1COC1 34a_100011215527_100009818527 [0,1,0,1,0,0|2,0,0]=4 4941 B10R1.151 C=CC(C)COC1COC1 7a_100011215527_100009818527 [0,1,0,1,0,0|2,0,0]=4 4942 B10R1.151 C=CC(C)OCC1CCC1 34a_100000695699_100000763275 [0,1,0,1,0,0|1,0,0]=3 4943 B10R1.151 C=CC(C)OCC1CCO1 34a_100000695699_100000103362 [0,1,0,1,0,0|2,0,0]=4 4944 B10R1.151 C=CC(C)OCC1COC1 34a_100000695699_100010264016 [0,1,0,1,0,0|2,0,0]=4 4945 B10R1.151 C=CC(C)SCC1CCC1 62a_100011215867_100000763275 [0,1,0,1,0,0|1,0,0]=3 4946 B10R1.151 C=CC(C)SCC1CCO1 62a_100011215867_100000103362 [0,1,0,1,0,0|2,0,0]=4 4947 B10R1.151 C=CC(C)SCC1COC1 62a_100011215867_100010264016 [0,1,0,1,0,0|2,0,0]=4 4948 B10R1.151 C=CC(O)CNC1CCC1 2230a_100000749019_100000730141 [0,1,0,1,0,0|0,0,0]=2 4949 B10R1.151 C=CC(O)CNC1CCC1 34a_100000749019_100000730141 [0,1,0,1,0,0|0,0,0]=2 4950 B10R1.151 C=CC(O)CNC1COC1 2230a_100016991112_100000730141 [0,1,0,1,0,0|1,0,0]=3 4951 B10R1.151 C=CC(O)COC1CCC1 34a_100000748187_100000730141 [0,1,0,1,0,0|0,0,0]=2 4952 B10R1.151 C=CC(O)COC1CSC1 7a_100000072292_100000730141 [0,1,0,1,0,0|1,0,0]=3 4953 B10R1.151 C=CC(O)CSC1CCC1 62a_100000730141_100000749161 [0,1,0,1,0,0|0,0,0]=2 4954 B10R1.151 C=CC(O)CSC1COC1 62a_100000730141_100009818527 [0,1,0,1,0,0|1,0,0]=3 4955 B10R1.151 C=C[C@H](N)COC1CCC1 34a_100016989147_100000749161 [0,1,0,1,0,0|1,0,0]=3 4956 B10R1.151 C=C[C@H](N)COC1COC1 34a_100016989147_100009818527 [0,1,0,1,0,0|2,0,0]=4 4957 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,1,0,1,0,0|0,0,2]=4 4958 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,1,0,1,0,0|0,0,2]=4 4959 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,1,0,1,0,0|0,0,2]=4 4960 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,1,0,1,0,0|0,0,2]=4 4961 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [0,1,0,1,0,0|0,0,2]=4 4962 B10R1.151 OCC(O)CNC1CCC1 2230a_100000749019_100011219619 [0,1,0,1,0,0|1,0,1]=4 4963 B10R1.151 OCC(O)CNC1CCC1 34a_100000749019_100011219619 [0,1,0,1,0,0|1,0,1]=4 4964 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [0,1,0,1,0,0|1,0,1]=4 4965 B10R1.151 OCC(O)CSC1CCC1 62a_100011219619_100000749161 [0,1,0,1,0,0|1,0,1]=4 4966 B10R1.151 OC[C@H](O)CNC1CCC1 2230a_100000749019_100009815848 [0,1,0,1,0,0|1,0,1]=4 4967 B10R1.151 OC[C@H](O)CNC1CCC1 34a_100000749019_100009815848 [0,1,0,1,0,0|1,0,1]=4 4968 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [0,1,0,1,0,0|1,0,1]=4 4969 B10R1.151 OC[C@H](O)CSC1CCC1 62a_100009815848_100000749161 [0,1,0,1,0,0|1,0,1]=4 4970 B10R1.151 O[C@@H](CF)CNC1CCC1 2230a_100000749019_100015614560 [0,1,0,1,0,0|1,0,1]=4 4971 B10R1.151 O[C@@H](CF)CNC1CCC1 34a_100000749019_100015614560 [0,1,0,1,0,0|1,0,1]=4 4972 B10R1.151 O[C@@H](CF)COC1CCC1 34a_100000748187_100015614560 [0,1,0,1,0,0|1,0,1]=4 4973 B10R1.151 O[C@@H](CF)CSC1CCC1 62a_100015614560_100000749161 [0,1,0,1,0,0|1,0,1]=4 4974 B10R1.152 C=CC(O)CNC1(CC1)C 2230a_100000757604_100000730141 [0,1,0,1,0,0|1,0,0]=3 4975 B10R1.152 C=CC(O)COC1(CC1)C 7a_100011725673_100000730141 [0,1,0,1,0,0|1,0,0]=3 4976 B10R1.412 C=CC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215867 [0,1,0,1,0,0|2,0,0]=4 4977 B10R1.463 C=CC(O)CN1CCC1C 34a_100000755817_100000730141 [0,1,0,1,0,0|0,0,0]=2 4978 B10R1.463 CC1CCN1CC(O)CO 34a_100000755817_100011219619 [0,1,0,1,0,0|1,0,1]=4 4979 B10R1.463 CC1CCN1C[C@@H](O)CF 34a_100000755817_100015614560 [0,1,0,1,0,0|1,0,1]=4 4980 B10R1.463 CC1CCN1C[C@@H](O)CO 34a_100000755817_100009815848 [0,1,0,1,0,0|1,0,1]=4 4981 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,1,0,1,0,0|0,0,2]=4 4982 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,1,0,1,0,0|0,0,2]=4 4983 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|0,0,2]=4 4984 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|0,0,2]=4 4985 B10R1.27 C=CC(=O)CC1CCOC1 1458a_100000185746_100000702531 [0,1,0,1,0,0|0,0,2]=4 4986 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,1,0,0|0,0,2]=4 4987 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,1,0,0|0,0,2]=4 4988 B10R1.27 C=CC(C)OC1CCCC1 34a_100000695699_100000179811 [0,1,0,1,0,0|1,0,0]=3 4989 B10R1.27 C=CC(C)OC1CCOC1 34a_100000695699_100000690089 [0,1,0,1,0,0|2,0,0]=4 4990 B10R1.27 C=CC(C)SC1CCCC1 62a_100011215867_100000179811 [0,1,0,1,0,0|1,0,0]=3 4991 B10R1.27 C=CC(C)SC1CCOC1 62a_100011215867_100000690089 [0,1,0,1,0,0|2,0,0]=4 4992 B10R1.27 C=CC(O)CN1CCCC1 2230a_100000188435_100000730141 [0,1,0,1,0,0|0,0,0]=2 4993 B10R1.27 C=CC(O)CN1CCSC1 2230a_100011215254_100000730141 [0,1,0,1,0,0|1,0,0]=3 4994 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,1,0,1,0,0|0,0,2]=4 4995 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,1,0,1,0,0|0,0,2]=4 4996 B10R1.27 OCC(O)CN1CCCC1 2230a_100000188435_100011219619 [0,1,0,1,0,0|1,0,1]=4 4997 B10R1.27 OC[C@H](O)CN1CCCC1 2230a_100000188435_100009815848 [0,1,0,1,0,0|1,0,1]=4 4998 B10R1.27 O[C@@H](CF)CN1CCCC1 2230a_100000188435_100015614560 [0,1,0,1,0,0|1,0,1]=4 4999 B10R1.134 C=CC(O)CN(C)C1CC1 2230a_100000226674_100000730141 [0,1,0,1,0,0|1,0,0]=3 5000 B10R1.149 C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200121576911 [0,1,0,1,0,0|0,0,2]=4 5001 B10R1.149 C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_200121576911 [0,1,0,1,0,0|0,0,2]=4 5002 B10R1.149 C=CC(C)N1CCC[C@@H]1C 269982a_100020605311_100011215867 [0,1,0,1,0,0|1,0,0]=3 5003 B10R1.149 C=CC(C)N1CCC[C@H]1C 269982a_100015189458_100011215867 [0,1,0,1,0,0|1,0,0]=3 5004 B10R1.149 C=CC(C)N1CCSC1C 269982a_200011216479_100011215867 [0,1,0,1,0,0|2,0,0]=4 5005 B10R1.429 C=CC(=O)CC1(CCC1)C 1458a_100000185746_100000726658 [0,1,0,1,0,0|0,0,2]=4 5006 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [0,1,0,1,0,0|0,0,2]=4 5007 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [0,1,0,1,0,0|0,0,2]=4 5008 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,1,0,1,0,0|0,0,2]=4 5009 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|0,0,2]=4 5010 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|0,0,2]=4 5011 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|0,0,2]=4 5012 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|0,0,2]=4 5013 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,1,0,1,0,0|0,0,2]=4 5014 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,1,0,1,0,0|0,0,2]=4 5015 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,1,0,0|0,0,2]=4 5016 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,1,0,0|0,0,2]=4 5017 B10R1.16 CCNN=C1C=CC(C1)O 4a_100000756455_100000069023 [0,1,0,1,0,0|1,0,1]=4 5018 B10R1.16 CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210202 [0,1,0,1,0,0|1,0,0]=3 5019 B10R1.16 N[C@H]1C=C[C@H](C1)COCF 34a_100020646542_100015361967 [0,1,0,1,0,0|2,0,0]=4 5020 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|0,0,2]=4 5021 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|0,0,2]=4 5022 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|0,0,2]=4 5023 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|0,0,2]=4 5024 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|0,0,2]=4 5025 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 5026 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 5027 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|0,0,2]=4 5028 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|0,0,2]=4 5029 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,1,0,1,0,0|0,0,2]=4 5030 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,0]=2 5031 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 5032 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 5033 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,0]=2 5034 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 5035 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 5036 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|0,0,2]=4 5037 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|1,0,1]=4 5038 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|1,0,1]=4 5039 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|0,0,2]=4 5040 B10R1.204 C=C(C)C(C)NC1CCC1 269862a_100000749019_100011216138 [0,1,0,1,0,0|2,0,0]=4 5041 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|0,0,2]=4 5042 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|1,0,1]=4 5043 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|1,0,1]=4 5044 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|1,0,1]=4 5045 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|1,0,1]=4 5046 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|1,0,1]=4 5047 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|0,0,1]=3 5048 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,1,0,0|1,0,1]=4 5049 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|1,0,1]=4 5050 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|1,0,1]=4 5051 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|0,0,1]=3 5052 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,1,0,0|1,0,1]=4 5053 B10R1.122 C=CC(C=C)OC1CCC1 34a_100000033096_100000749161 [0,1,0,1,0,0|2,0,0]=4 5054 B10R1.122 C=CC(CC)OC1CCC1 34a_100000766422_100000749161 [0,1,0,1,0,0|2,0,0]=4 5055 B10R1.122 C=C[C@@H](CO)NC1CCC1 270004a_100016989147_100000241760 [0,1,0,1,0,0|1,0,0]=3 5056 B10R1.122 C=C[C@@H](CO)NC1CCC1 34a_100016989147_100000749161 [0,1,0,1,0,0|1,0,0]=3 5057 B10R1.122 C=C[C@@H](CO)NC1COC1 34a_100016989147_100009818527 [0,1,0,1,0,0|2,0,0]=4 5058 B10R1.123 C=CC(C=C)OCC1CC1 34a_100000033096_100000742324 [0,1,0,1,0,0|2,0,0]=4 5059 B10R1.123 C=CC(CC)OCC1CC1 34a_100000766422_100000742324 [0,1,0,1,0,0|2,0,0]=4 5060 B10R1.123 C=CC(CC)OCC1CC1 7a_100000766422_100000742324 [0,1,0,1,0,0|2,0,0]=4 5061 B10R1.123 C=C[C@@H](CO)NCC1CC1 2230a_100016989147_100000742324 [0,1,0,1,0,0|1,0,0]=3 5062 B10R1.123 C=C[C@@H](CO)NCC1CC1 269862a_100016989147_100000741477 [0,1,0,1,0,0|1,0,0]=3 5063 B10R1.123 C=C[C@@H](CO)NCC1CC1 34a_100016989147_100000742324 [0,1,0,1,0,0|1,0,0]=3 5064 B10R1.123 C=C[C@@H](CO)NCC1CO1 2230a_100016989147_100011216344 [0,1,0,1,0,0|2,0,0]=4 5065 B10R1.123 C=C[C@@H](CO)NCC1CO1 34a_100016989147_102125554688 [0,1,0,1,0,0|2,0,0]=4 5066 B10R1.487 C#CC1(CCCCC1)OC 34a_100011215672_200000210301 [0,1,0,1,0,0|0,0,2]=4 5067 B10R1.487 C#CC1(CCCCC1)OC 7a_100011215672_200000210301 [0,1,0,1,0,0|0,0,2]=4 5068 B10R1.487 C#CC1(CCCCC1)O[13CH3] 34a_100011215672_200025704644 [0,1,0,1,0,0|0,0,2]=4 5069 B10R1.487 C#CC1(CCCCC1)O[13CH3] 7a_100011215672_200025704644 [0,1,0,1,0,0|0,0,2]=4 5070 B10R1.487 C=CC1(CCCCC1)OC 34a_200011934219_200000210301 [0,1,0,1,0,0|0,0,0]=2 5071 B10R1.487 C=CC1(CCCCC1)OC 7a_200011934219_200000210301 [0,1,0,1,0,0|0,0,0]=2 5072 B10R1.487 C=CC1(CCCCC1)O[13CH3] 34a_200011934219_200025704644 [0,1,0,1,0,0|0,0,0]=2 5073 B10R1.487 C=CC1(CCCCC1)O[13CH3] 7a_200011934219_200025704644 [0,1,0,1,0,0|0,0,0]=2 5074 B10R1.487 CCC1(CCCCC1)OC 34a_100011216009_200000210301 [0,1,0,1,0,0|0,0,2]=4 5075 B10R1.487 CCC1(CCCCC1)OC 7a_100011216009_200000210301 [0,1,0,1,0,0|0,0,2]=4 5076 B10R1.487 CCC1(CCCCC1)O[13CH3] 34a_100011216009_200025704644 [0,1,0,1,0,0|0,0,2]=4 5077 B10R1.487 CCC1(CCCCC1)O[13CH3] 7a_100011216009_200025704644 [0,1,0,1,0,0|0,0,2]=4 5078 B10R1.487 CNC1(CCCCC1)CO 2230a_100000740034_200000210301 [0,1,0,1,0,0|1,0,1]=4 5079 B10R1.487 CNC1(CCCCC1)CO 34a_100000740034_200000210301 [0,1,0,1,0,0|1,0,1]=4 5080 B10R1.487 COC1(CCCCC1)CN 34a_100000748649_200000210301 [0,1,0,1,0,0|1,0,1]=4 5081 B10R1.487 [13CH3]NC1(CCCCC1)CO 2230a_100000740034_200025704644 [0,1,0,1,0,0|1,0,1]=4 5082 B10R1.487 [13CH3]NC1(CCCCC1)CO 34a_100000740034_200025704644 [0,1,0,1,0,0|1,0,1]=4 5083 B10R1.487 [13CH3]OC1(CCCCC1)CN 34a_100000748649_200025704644 [0,1,0,1,0,0|1,0,1]=4 5084 B10R2.99 CCN1CC2C=CC1C2 2230a_100000732668_100000210202 [0,0,0,2,0,0|2,0,0]=4 5085 B10R2.99 CCN1CC2C=CC1C2 269982a_100000732668_100000204670 [0,0,0,2,0,0|2,0,0]=4 5086 B10R2.99 CCN1CC2C=CC1C2 34a_100000732668_100000210202 [0,0,0,2,0,0|2,0,0]=4 5087 B10R2.99 COC1CC2C=CC1C2 34a_100000043678_200000210301 [0,0,0,2,0,0|2,0,0]=4 5088 B10R2.99 [13CH3]OC1CC2C=CC1C2 34a_100000043678_200025704644 [0,0,0,2,0,0|2,0,0]=4