0 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,0,0,0,0,0|0,0,4]=4 11 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,0,0,0,0,0|0,0,4]=4 13 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,0,0,0,0,0|0,0,4]=4 14 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,0,0,0,0,0|1,0,3]=4 15 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,0,0,0,0,0|1,0,3]=4 16 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,0,0,0,0,0|1,0,3]=4 19 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,0,0,0,0,0|1,0,3]=4 20 B8R0.6 C#CCCNC(=O)C=C 1626a_100000755551_100000185746 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.6 C#CCCNC(=O)C=C 240690a_100000755551_200121576911 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.6 C=C(C#N)CSCCC 62a_100000210303_100000694840 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.6 C=CC(=NNCCO)C 4a_100000210001_200015361842 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,0,0,0,0,0|0,0,2]=2 27 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,0,0,0,0,0|0,0,2]=2 28 B8R0.6 C=CC(=O)CC#CCO 1458a_100000185746_200000047223 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,0,0,0,0,0|1,0,1]=2 30 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,0,0,0,0|0,0,0]=0 31 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,0,0,0,0,0|1,0,0]=1 32 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,0,0,0,0,0|1,0,0]=1 33 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,0,0,0,0,0|1,0,0]=1 34 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,0,0,0,0,0|1,0,0]=1 35 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,0,0,0,0,0|1,0,0]=1 36 B8R0.6 C=CC(=O)NCC#CC 1626a_100000685387_100000185746 [0,0,0,0,0,0|1,0,2]=3 37 B8R0.6 C=CC(=O)NCCC#N 1626a_100000720768_100000185746 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.6 C=CC(=O)NCCC#N 240690a_100000720768_200121576911 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,0,0,0,0|1,0,0]=1 40 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,0,0,0,0|1,0,0]=1 41 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,0,0,0,0,0|2,0,0]=2 48 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,0,0,0,0,0|2,0,0]=2 51 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,0,0,0,0,0|2,0,0]=2 53 B8R0.6 C=CC(=O)NNCCO 22a_100000210001_100000185746 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,0,0,0,0,0|2,0,0]=2 56 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,0,0,0,0,0|2,0,0]=2 57 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,0,0,0,0,0|2,0,0]=2 58 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,0,0,0,0,0|2,0,0]=2 59 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,0,0,0,0,0|2,0,0]=2 60 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,0,0,0,0,0|2,0,0]=2 62 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,0,0,0,0,0|2,0,1]=3 63 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,0,0,0,0,0|2,0,1]=3 64 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,0,0,0,0,0|2,0,1]=3 70 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,0,0,0,0,0|2,0,1]=3 75 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,0,0,0,0,0|2,0,2]=4 83 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,0,0,0,0,0|2,0,2]=4 84 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,0,0,0,0,0|1,0,2]=3 85 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,0,0,0,0,0|1,0,2]=3 87 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,0,0,0,0,0|1,0,2]=3 88 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,0,0,0,0,0|0,0,2]=2 97 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,0,0,0,0|0,0,4]=4 98 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,0,0,0,0|0,0,4]=4 99 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,0,0,0,0,0|1,0,3]=4 100 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,0,0,0,0,0|1,0,3]=4 101 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,0,0,0,0,0|1,0,3]=4 102 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,0,0,0,0,0|1,0,3]=4 103 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,0,0,0,0,0|1,0,3]=4 104 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,0,0,0,0,0|1,0,3]=4 105 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,0,0,0,0,0|1,0,2]=3 106 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,0,0,0,0,0|1,0,2]=3 107 B8R0.6 C=CCNNC(=O)C=C 22a_100020588587_100000185746 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [0,0,0,0,0,0|1,0,2]=3 109 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,0,0,0,0,0|2,0,1]=3 110 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,0,0,0,0|0,0,4]=4 114 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,0,0,0,0,0|1,0,3]=4 115 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,0,0,0,0,0|1,0,3]=4 116 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,0,0,0,0,0|1,0,3]=4 117 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,0,0,0,0,0|1,0,3]=4 118 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,0,0,0,0,0|1,0,3]=4 119 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,0,0,0,0|0,0,4]=4 120 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,0,0,0,0,0|1,0,3]=4 121 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,0,0,0,0|0,0,4]=4 122 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,0,0,0,0,0|1,0,3]=4 123 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,0,0,0,0,0|1,0,3]=4 124 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,0,0,0,0,0|1,0,3]=4 125 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,0,0,0,0|1,0,2]=3 126 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,0,0,0,0|1,0,2]=3 127 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,0,0,0,0|1,0,2]=3 128 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,0,0,0,0|1,0,2]=3 129 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,0,0,0,0|1,0,2]=3 130 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,0,0,0,0|1,0,2]=3 131 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,0,0,0,0|2,0,2]=4 136 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,0,0,0,0|2,0,2]=4 140 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,0,0,0,0|2,0,2]=4 141 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,0,0,0,0|2,0,2]=4 142 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,0,0,0,0|2,0,2]=4 143 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 144 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 160 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 161 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 162 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,0,0,0,0|2,0,2]=4 163 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,0,0,0,0|2,0,2]=4 164 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,0,0,0,0|0,0,4]=4 165 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,0,0,0,0,0|1,0,3]=4 166 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,0,0,0,0,0|1,0,3]=4 167 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,0,0,0,0|0,0,4]=4 168 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,0,0,0,0,0|1,0,3]=4 169 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,0,0,0,0|1,0,3]=4 170 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,0,0,0,0|1,0,3]=4 171 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,0,0,0,0|1,0,3]=4 172 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,0,0,0,0|0,0,2]=2 173 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,0,0,0,0|0,0,2]=2 174 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,0,0,0,0|1,0,1]=2 175 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,0,0,0,0|1,0,1]=2 176 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,0,0,0,0|1,0,1]=2 177 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,0,0,0,0|1,0,1]=2 178 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,0,0,0,0|1,0,1]=2 179 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,0,0,0,0|1,0,1]=2 180 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,0,0,0,0,0|2,0,2]=4 182 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,0,0,0,0,0|2,0,2]=4 186 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,0,0,0,0,0|2,0,2]=4 187 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,0,0,0,0,0|2,0,2]=4 188 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,0,0,0,0,0|2,0,2]=4 191 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,0,0,0,0,0|2,0,2]=4 192 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,0,0,0,0,0|2,0,2]=4 193 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,0,0,0,0,0|2,0,2]=4 194 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,0,0,0,0,0|2,0,2]=4 195 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,0,0,0,0,0|2,0,2]=4 196 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,0,0,0,0,0|2,0,2]=4 197 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,0,0,0,0,0|2,0,2]=4 198 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,0,0,0,0,0|2,0,2]=4 199 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 201 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 202 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 203 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 204 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,0,0,0,0|2,0,1]=3 205 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,0,0,0,0|2,0,1]=3 207 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,0,0,0,0|2,0,1]=3 208 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,0,0,0,0|2,0,1]=3 209 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,0,0,0,0|2,0,1]=3 210 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,0,0,0,0|2,0,1]=3 211 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,0,0,0,0|2,0,1]=3 212 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,0,0,0,0|2,0,1]=3 213 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,0,0,0,0|2,0,2]=4 214 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,0,0,0,0,0|3,0,1]=4 215 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,0,0,0,0,0|3,0,1]=4 218 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,0,0,0,0|1,0,2]=3 219 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,0,0,0,0|1,0,2]=3 220 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,0,0,0,0|2,0,1]=3 221 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,0,0,0,0|2,0,1]=3 222 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,0,0,0,0|2,0,1]=3 223 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,0,0,0,0|2,0,1]=3 224 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,0,0,0,0|2,0,1]=3 225 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,0,0,0,0|2,0,1]=3 226 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,0,0,0,0|2,0,1]=3 227 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,0,0,0,0|2,0,1]=3 228 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,0,0,0,0|1,0,2]=3 229 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,0,0,0,0|1,0,2]=3 230 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,0,0,0,0|1,0,2]=3 231 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,0,0,0,0|2,0,1]=3 232 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,0,0,0,0|2,0,1]=3 233 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,0,0,0,0|2,0,1]=3 234 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,0,0,0,0|2,0,1]=3 235 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,0,0,0,0|2,0,1]=3 236 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,0,0,0,0|2,0,1]=3 237 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,0,0,0,0|2,0,1]=3 238 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,0,0,0,0|2,0,1]=3 239 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,0,0,0,0|2,0,1]=3 240 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,0,0,0,0|2,0,1]=3 241 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,0,0,0,0|2,0,1]=3 242 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,0,0,0,0|2,0,1]=3 243 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,0,0,0,0|2,0,1]=3 244 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,0,0,0,0,0|4,0,0]=4 245 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,0,0,0,0|1,0,2]=3 246 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,0,0,0,0|1,0,2]=3 247 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,0,0,0,0,0|2,0,1]=3 248 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,0,0,0,0,0|2,0,1]=3 249 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,0,0,0,0|2,0,1]=3 250 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,0,0,0,0|2,0,1]=3 251 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,0,0,0,0|2,0,1]=3 252 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,0,0,0,0|2,0,1]=3 253 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,0,0,0,0|2,0,1]=3 254 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,0,0,0,0|2,0,1]=3 255 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,0,0,0,0|2,0,1]=3 256 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,0,0,0,0|1,0,2]=3 257 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,0,0,0,0|1,0,2]=3 258 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,0,0,0,0,0|2,0,1]=3 259 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,0,0,0,0,0|2,0,1]=3 260 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,0,0,0,0|2,0,1]=3 261 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,0,0,0,0|2,0,1]=3 262 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,0,0,0,0|2,0,1]=3 263 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,0,0,0,0|2,0,1]=3 264 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,0,0,0,0|2,0,1]=3 265 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,0,0,0,0|2,0,1]=3 266 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,0,0,0,0|2,0,1]=3 267 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,0,0,0,0|2,0,1]=3 268 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,0,0,0,0,0|3,0,1]=4 269 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,0,0,0,0,0|2,0,2]=4 270 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,0,0,0,0,0|2,0,2]=4 271 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,0,0,0,0,0|2,0,2]=4 272 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,0,0,0,0,0|2,0,2]=4 273 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,0,0,0,0|2,0,1]=3 274 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,0,0,0,0,0|2,0,1]=3 275 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,0,0,0,0,0|2,0,1]=3 276 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,0,0,0,0,0|2,0,1]=3 277 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,0,0,0,0,0|2,0,1]=3 278 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,0,0,0,0,0|2,0,1]=3 279 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,0,0,0,0,0|2,0,1]=3 280 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,0,0,0,0,0|2,0,1]=3 281 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,0,0,0,0,0|2,0,1]=3 282 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,0,0,0,0,0|2,0,1]=3 283 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,0,0,0,0,0|2,0,1]=3 284 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,0,0,0,0,0|2,0,1]=3 285 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,0,0,0,0,0|2,0,1]=3 286 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,0,0,0,0,0|2,0,1]=3 287 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,0,0,0,0,0|2,0,1]=3 288 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,0,0,0,0,0|2,0,1]=3 289 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,0,0,0,0,0|3,0,1]=4 290 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,0,0,0,0,0|3,0,1]=4 291 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,0,0,0,0,0|3,0,1]=4 292 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,0,0,0,0,0|3,0,1]=4 293 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,0,0,0,0,0|3,0,1]=4 294 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,0,0,0,0,0|3,0,1]=4 295 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,0,0,0,0,0|3,0,1]=4 296 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,0,0,0,0,0|3,0,1]=4 297 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,0,0,0,0,0|3,0,1]=4 298 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,0,0,0,0,0|3,0,1]=4 299 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,0,0,0,0,0|3,0,1]=4 300 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,0,0,0,0,0|3,0,1]=4 301 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,0,0,0,0,0|3,0,1]=4 302 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,0,0,0,0,0|3,0,1]=4 303 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,0,0,0,0,0|3,0,1]=4 304 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,0,0,0,0,0|3,0,1]=4 305 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,0,0,0,0,0|3,0,1]=4 306 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,0,0,0,0,0|3,0,1]=4 309 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,0,0,0,0,0|3,0,1]=4 310 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,0,0,0,0,0|3,0,1]=4 311 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,0,0,0,0,0|3,0,1]=4 312 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,0,0,0,0,0|3,0,1]=4 313 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,0,0,0,0,0|3,0,1]=4 315 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,0,0,0,0,0|3,0,1]=4 316 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,0,0,0,0,0|3,0,1]=4 317 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,0,0,0,0,0|3,0,1]=4 318 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,0,0,0,0,0|3,0,1]=4 319 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,0,0,0,0,0|3,0,1]=4 321 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,0,0,0,0,0|3,0,1]=4 322 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,0,0,0,0,0|3,0,1]=4 323 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,0,0,0,0,0|3,0,1]=4 324 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,0,0,0,0,0|3,0,1]=4 325 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,0,0,0,0,0|3,0,1]=4 326 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,0,0,0,0,0|3,0,1]=4 327 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,0,0,0,0,0|3,0,1]=4 328 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,0,0,0,0,0|3,0,1]=4 329 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,0,0,0,0,0|3,0,1]=4 330 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,0,0,0,0,0|3,0,1]=4 331 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,0,0,0,0,0|3,0,1]=4 332 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,0,0,0,0,0|3,0,1]=4 333 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,0,0,0,0,0|3,0,1]=4 334 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,0,0,0,0,0|3,0,1]=4 335 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,0,0,0,0,0|3,0,1]=4 336 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,0,0,0,0,0|3,0,1]=4 337 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,0,0,0,0,0|3,0,1]=4 338 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,0,0,0,0,0|3,0,1]=4 339 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,0,0,0,0,0|3,0,1]=4 340 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,0,0,0,0,0|2,0,1]=3 341 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,0,0,0,0,0|2,0,1]=3 342 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,0,0,0,0,0|2,0,1]=3 343 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,0,0,0,0,0|2,0,1]=3 344 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,0,0,0,0,0|2,0,1]=3 345 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,0,0,0,0,0|2,0,1]=3 346 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,0,0,0,0,0|2,0,1]=3 347 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,0,0,0,0,0|2,0,1]=3 348 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,0,0,0,0,0|3,0,1]=4 349 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,0,0,0,0,0|3,0,1]=4 350 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,0,0,0,0,0|3,0,1]=4 351 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,0,0,0,0,0|2,0,1]=3 352 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,0,0,0,0,0|2,0,1]=3 353 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,0,0,0,0,0|2,0,1]=3 354 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,0,0,0,0,0|2,0,1]=3 355 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,0,0,0,0,0|3,0,1]=4 356 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,0,0,0,0,0|3,0,1]=4 357 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,0,0,0,0,0|3,0,1]=4 358 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,0,0,0,0,0|3,0,1]=4 359 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,0,0,0,0,0|3,0,1]=4 360 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,0,0,0,0,0|3,0,1]=4 361 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,0,0,0,0,0|3,0,1]=4 362 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,0,0,0,0,0|3,0,1]=4 363 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,0,0,0,0,0|3,0,1]=4 364 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,0,0,0,0,0|3,0,1]=4 365 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,0,0,0,0,0|3,0,1]=4 366 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,0,0,0,0,0|3,0,1]=4 367 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,0,0,0,0,0|3,0,1]=4 368 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,0,0,0,0,0|3,0,1]=4 369 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,0,0,0,0,0|3,0,1]=4 370 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,0,0,0,0,0|2,0,1]=3 371 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,0,0,0,0,0|2,0,1]=3 372 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,0,0,0,0,0|3,0,0]=3 373 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,0,0,0,0,0|2,0,1]=3 374 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,0,0,0,0,0|3,0,1]=4 375 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,0,0,0,0,0|3,0,1]=4 376 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,0,0,0,0,0|3,0,1]=4 377 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,0,0,0,0,0|3,0,1]=4 378 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,0,0,0,0,0|3,0,1]=4 379 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,0,0,0,0,0|3,0,1]=4 380 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,0,0,0,0,0|2,0,1]=3 381 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,0,0,0,0,0|3,0,1]=4 382 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,0,0,0,0,0|3,0,1]=4 383 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,0,0,0,0,0|2,0,2]=4 384 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,0,0,0,0,0|2,0,2]=4 385 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,0,0,0,0,0|2,0,1]=3 386 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,0,0,0,0,0|3,0,1]=4 387 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,0,0,0,0|2,0,1]=3 388 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,0,0,0,0|2,0,1]=3 389 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,0,0,0,0,0|3,0,1]=4 390 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,0,0,0,0,0|3,0,1]=4 391 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,0,0,0,0,0|3,0,1]=4 392 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,0,0,0,0,0|3,0,1]=4 393 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,0,0,0,0,0|3,0,0]=3 394 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,1]=3 395 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,1]=3 400 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,1]=3 401 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,1]=4 405 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,1]=3 406 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,1]=3 407 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,0,1]=4 413 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,1]=3 416 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,1]=3 417 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,1]=3 418 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,1]=3 419 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,1]=3 420 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,1]=3 421 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,1]=3 422 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 423 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,1]=3 424 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 425 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 426 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 427 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,1]=3 428 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,1]=3 429 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,1]=3 430 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,1]=3 431 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 432 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,1]=3 433 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 434 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,1]=3 436 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,1]=3 437 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,1]=3 438 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,1]=3 441 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,1]=3 442 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,1]=3 445 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|2,0,1]=4 447 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|2,0,1]=4 448 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|2,0,1]=4 450 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,1]=3 454 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,1]=3 455 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|2,0,1]=4 456 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|2,0,1]=4 457 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,1]=3 460 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,1]=3 461 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|2,0,1]=4 462 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|2,0,1]=4 463 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 464 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,1]=3 470 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,1]=3 471 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,1]=3 472 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,0,0,0,0,0|2,0,1]=4 473 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|2,0,1]=4 476 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|2,0,1]=4 478 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|2,0,1]=4 480 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,1]=3 482 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,1]=3 483 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,1]=3 484 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|2,0,1]=4 491 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|2,0,1]=4 492 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|2,0,1]=4 493 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,1]=3 499 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,1]=3 500 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|2,0,0]=3 511 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|2,0,0]=3 512 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|2,0,0]=3 513 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|2,0,0]=3 514 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,0]=3 515 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|2,0,0]=3 517 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [1,0,0,0,0,0|3,0,0]=4 518 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|2,0,0]=3 519 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|2,0,0]=3 520 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [1,0,0,0,0,0|3,0,0]=4 521 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [1,0,0,0,0,0|3,0,0]=4 522 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,1]=3 523 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,1]=3 524 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,0,0,0,0|2,0,1]=4 525 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,1]=3 529 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,1]=3 531 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,1]=3 532 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,2]=4 542 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 543 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,2]=4 544 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 545 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,2]=4 546 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,2]=4 547 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,2]=4 548 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,2]=4 549 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,2]=4 550 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,2]=4 551 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,2]=4 552 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,2]=4 553 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,2]=4 554 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,2]=4 555 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,2]=4 556 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,2]=4 557 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 558 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,2]=4 559 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 560 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,2]=4 563 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,2]=4 564 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,1]=4 565 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|2,0,1]=4 569 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|2,0,1]=4 570 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|2,0,1]=4 571 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|2,0,1]=4 572 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|2,0,1]=4 573 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|0,0,2]=3 582 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|1,0,2]=4 583 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,0,2]=4 584 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|1,0,2]=4 585 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|1,0,2]=4 586 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [1,0,0,0,0,0|0,0,2]=3 587 B7R0.3 C#CCNC(=O)C=C 1626a_100000212058_100000185746 [1,0,0,0,0,0|1,0,2]=4 588 B7R0.3 C#CCNC(=O)C=C 240690a_100000212058_200121576911 [1,0,0,0,0,0|1,0,2]=4 589 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [1,0,0,0,0,0|3,0,0]=4 590 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,0,0,0,0|0,0,2]=3 591 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [1,0,0,0,0,0|0,0,2]=3 592 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,0,0,0,0|0,0,2]=3 593 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [1,0,0,0,0,0|1,0,1]=3 594 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|0,0,0]=1 595 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|1,0,0]=2 596 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,0]=2 597 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,0,0]=2 598 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,0]=2 599 B7R0.3 C=CC(=O)NCC#N 1626a_100000734998_100000185746 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,0]=2 601 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,0]=2 602 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,0,0,0,0,0|2,0,0]=3 603 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,0,0,0,0,0|2,0,0]=3 604 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,0,0,0,0,0|2,0,0]=3 605 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [1,0,0,0,0,0|2,0,0]=3 606 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,0,0,0,0|2,0,1]=4 610 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,0,0,0,0|1,0,2]=4 611 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,0,0,0,0|1,0,2]=4 612 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,0,0,0,0|1,0,2]=4 613 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,0,0,0,0|1,0,2]=4 614 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|0,0,2]=3 615 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [1,0,0,0,0,0|1,0,2]=4 616 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [1,0,0,0,0,0|1,0,2]=4 617 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,2]=4 619 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,2]=4 620 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,2]=4 621 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,2]=4 622 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,2]=4 623 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,2]=4 624 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,2]=3 625 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,2]=3 626 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,1]=3 627 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,1]=3 628 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,1]=3 629 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 630 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 631 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 632 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 633 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 634 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 635 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 636 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 637 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 638 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,1]=4 639 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,1]=4 640 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,1]=4 641 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,1]=4 642 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,1]=4 645 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,1]=4 647 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,2]=4 648 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,2]=4 649 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|2,0,1]=4 650 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 653 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,1]=4 654 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 656 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,2]=4 658 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,2]=4 659 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,2]=4 660 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|2,0,1]=4 661 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,1]=4 662 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 663 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 664 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 665 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,1]=4 666 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,1]=4 667 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,1]=4 668 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,1]=4 669 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 671 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,1]=4 672 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 673 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 674 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,1]=4 676 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 677 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,1]=4 678 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,1]=4 679 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 680 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,1]=4 683 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,1]=4 684 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,1]=4 685 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,1]=4 686 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 687 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 688 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 691 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|2,0,1]=4 692 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|2,0,1]=4 694 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|2,0,1]=4 695 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|2,0,1]=4 696 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|2,0,1]=4 697 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|2,0,1]=4 701 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,1]=4 702 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,1]=4 703 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,1]=4 704 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,0,1]=4 705 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|0,0,3]=4 706 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|0,0,3]=4 707 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|0,0,3]=4 708 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|2,0,0]=3 709 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [1,0,0,0,0,0|3,0,0]=4 710 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,0]=3 711 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,0]=3 712 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,0]=3 713 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,0,0,0,0,0|3,0,0]=4 714 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,0]=3 715 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,0]=3 716 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,0,0,0,0,0|3,0,0]=4 717 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,0,0,0,0,0|3,0,0]=4 718 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [1,0,0,0,0,0|3,0,0]=4 719 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|3,0,0]=4 720 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|3,0,0]=4 721 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,0,0,0,0,0|3,0,0]=4 722 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,0]=3 723 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,0]=3 724 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,0,0,0,0,0|3,0,0]=4 725 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,0,0,0,0,0|3,0,0]=4 728 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,0]=3 729 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,0]=3 730 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,0,0,0,0,0|3,0,0]=4 731 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,0,0,0,0,0|3,0,0]=4 732 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,0,0,0,0,0|3,0,0]=4 733 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,0,0,0,0,0|3,0,0]=4 734 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,0,0,0,0|3,0,0]=4 735 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,0,0,0,0|3,0,0]=4 736 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,0,0,0,0,0|3,0,0]=4 737 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,0,0,0,0,0|3,0,0]=4 738 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [1,0,0,0,0,0|3,0,0]=4 739 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [1,0,0,0,0,0|3,0,0]=4 740 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [1,0,0,0,0,0|3,0,0]=4 741 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [1,0,0,0,0,0|3,0,0]=4 742 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|2,0,0]=3 743 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|2,0,0]=3 744 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [1,0,0,0,0,0|3,0,0]=4 745 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [1,0,0,0,0,0|3,0,0]=4 746 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [1,0,0,0,0,0|3,0,0]=4 747 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [1,0,0,0,0,0|3,0,0]=4 748 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|2,0,0]=3 749 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|2,0,0]=3 750 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [1,0,0,0,0,0|3,0,0]=4 751 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [1,0,0,0,0,0|3,0,0]=4 752 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [1,0,0,0,0,0|3,0,0]=4 753 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [1,0,0,0,0,0|3,0,0]=4 754 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [1,0,0,0,0,0|3,0,0]=4 755 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [1,0,0,0,0,0|3,0,0]=4 756 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [1,0,0,0,0,0|3,0,0]=4 757 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [1,0,0,0,0,0|3,0,0]=4 758 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|0,0,3]=4 759 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|0,0,3]=4 760 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|0,0,3]=4 761 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,2]=4 762 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,2]=4 763 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,1]=3 764 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,1]=3 765 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,1]=3 766 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 767 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 768 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,1]=3 769 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,1]=3 770 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 771 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 772 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|2,0,1]=4 773 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|2,0,1]=4 774 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,1]=4 775 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,1]=4 776 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,1]=4 777 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,1]=4 778 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,1]=4 779 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,1]=4 782 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,1]=4 783 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,1]=4 784 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,1]=4 785 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,1]=4 786 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,1]=4 787 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,1]=4 788 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,1]=4 789 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,3]=4 790 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,3]=4 791 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,3]=4 792 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|0,0,3]=4 793 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|0,0,3]=4 794 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|0,0,3]=4 795 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,3]=4 796 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,3]=4 797 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,1]=2 798 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,1]=2 799 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,1]=2 800 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 801 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,1]=4 802 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 803 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,1]=4 804 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 805 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 807 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 808 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 809 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,1]=3 810 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 811 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,0]=3 812 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,1]=4 813 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,1]=3 814 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,1]=3 815 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 816 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,1]=3 817 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|2,0,0]=3 818 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|3,0,0]=4 819 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,1]=3 820 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 821 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 822 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,1]=3 823 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|2,0,0]=3 824 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|2,0,0]=3 825 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|3,0,0]=4 826 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 827 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|3,0,0]=4 828 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,1]=3 829 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,1]=3 830 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,1]=3 831 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,1]=3 832 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 833 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 834 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 835 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,1]=3 836 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|2,0,1]=4 837 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,1]=3 838 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,1]=3 839 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,1]=3 840 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,1]=3 841 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 842 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 843 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,1]=3 844 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|2,0,1]=4 845 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|2,0,1]=4 846 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,1]=3 847 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,1]=3 848 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 849 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 850 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 851 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,1]=4 852 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,1]=4 853 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 854 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 855 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 856 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 857 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 858 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,1]=4 859 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,1]=4 860 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 861 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 862 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,1]=3 863 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,1]=3 864 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 865 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,1]=3 866 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 867 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 868 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,1]=3 869 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|3,0,0]=4 870 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 871 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 872 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,1]=4 873 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,1]=4 874 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 875 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,0,1]=4 876 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 877 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 878 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 879 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|3,0,0]=4 880 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 881 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 882 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|3,0,0]=4 883 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|3,0,0]=4 884 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,1]=4 885 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,1]=3 886 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,1]=3 887 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,1]=3 888 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 889 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 890 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,1]=3 891 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 892 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 893 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 894 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,1]=4 895 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,1]=4 896 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,1]=4 897 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 898 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 899 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,1]=4 900 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,1]=4 901 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 902 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 903 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 904 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|3,0,0]=4 905 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,1]=4 906 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 907 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 908 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|3,0,0]=4 909 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|3,0,0]=4 910 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 911 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 912 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 913 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 914 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 915 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 916 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 917 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 918 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 919 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 920 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 921 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 922 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 923 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 924 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 925 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|3,0,0]=4 926 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|3,0,0]=4 927 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|3,0,0]=4 928 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|3,0,0]=4 929 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|3,0,0]=4 930 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|3,0,0]=4 931 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|3,0,0]=4 932 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|3,0,0]=4 933 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|3,0,0]=4 934 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|3,0,0]=4 935 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,2]=4 936 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,1]=3 937 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,1]=4 938 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 939 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 940 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|3,0,0]=4 941 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 942 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 943 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 944 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 945 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 946 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 947 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 948 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 949 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,0|0,0,3]=4 950 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,0|0,0,2]=3 951 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|0,0,2]=3 952 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,1,0,0,0,0|1,0,2]=4 953 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,1,0,0,0,0|1,0,2]=4 954 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,1,0,0,0,0|1,0,2]=4 955 B9R0.1 C=CC(=NNCC(C)O)C 4a_200000730056_200015361842 [0,1,0,0,0,0|3,0,0]=4 956 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,0|0,0,2]=3 957 B9R0.1 C=CC(=O)CCC=C(F)F 1458a_100000185746_200009816681 [0,1,0,0,0,0|1,0,2]=4 958 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|0,0,1]=2 959 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,1,0,0,0,0|1,0,1]=3 960 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,0|0,0,0]=1 961 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|0,0,0]=1 962 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,0|1,0,0]=2 963 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,1,0,0,0,0|1,0,1]=3 964 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,1,0,0,0,0|2,0,1]=4 965 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,1,0,0,0,0|1,0,1]=3 966 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,1,0,0,0,0|2,0,1]=4 967 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,0|1,0,0]=2 968 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,0|1,0,0]=2 969 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,1,0,0,0,0|1,0,2]=4 970 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,1,0,0,0,0|2,0,1]=4 971 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,0|1,0,0]=2 972 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,0|1,0,0]=2 973 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,0|1,0,0]=2 974 B9R0.1 C=CC(=O)NCCN(C)C 240690a_100000210585_200121576911 [0,1,0,0,0,0|2,0,0]=3 975 B9R0.1 C=CC(=O)NNCC(=C)C 22a_100000729518_100000185746 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.1 C=CC(=O)NNCC(C)C 22a_100000696102_100000185746 [0,1,0,0,0,0|2,0,0]=3 977 B9R0.1 C=CC(=O)NNCC(C)O 22a_200000730056_100000185746 [0,1,0,0,0,0|2,0,0]=3 978 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,1,0,0,0,0|1,0,1]=3 979 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,1,0,0,0,0|1,0,1]=3 980 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,1,0,0,0,0|1,0,1]=3 981 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [0,1,0,0,0,0|2,0,1]=4 984 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [0,1,0,0,0,0|2,0,1]=4 986 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,1,0,0,0,0|2,0,1]=4 990 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,1,0,0,0,0|2,0,1]=4 991 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,1,0,0,0,0|1,0,2]=4 994 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,1,0,0,0,0|1,0,2]=4 995 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,1,0,0,0,0|1,0,2]=4 996 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,1,0,0,0,0|1,0,2]=4 997 B9R0.1 C=CC(O)COCC(C)Br 34a_100012180447_100000730141 [0,1,0,0,0,0|1,0,2]=4 998 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,1,0,0,0,0|1,0,2]=4 999 B9R0.1 C=CC(O)COCC(C)F 34a_100015925927_100000730141 [0,1,0,0,0,0|1,0,2]=4 1000 B9R0.1 C=CC(O)COC[C@@H](C)Cl 34a_100016084084_100000730141 [0,1,0,0,0,0|1,0,2]=4 1001 B9R0.1 C=CC(O)COC[C@@H](C)N 34a_100000737577_100000730141 [0,1,0,0,0,0|1,0,2]=4 1002 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,1,0,0,0,0|1,0,2]=4 1003 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,1,0,0,0,0|1,0,2]=4 1004 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [0,1,0,0,0,0|1,0,2]=4 1005 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [0,1,0,0,0,0|1,0,2]=4 1006 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [0,1,0,0,0,0|1,0,2]=4 1007 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [0,1,0,0,0,0|1,0,2]=4 1008 B9R0.1 C=C[C@H](N)COCC(C)C 34a_100016989147_100000210624 [0,1,0,0,0,0|2,0,1]=4 1009 B9R0.1 C=C[C@H](N)COCC(C)O 34a_100016989147_100011218427 [0,1,0,0,0,0|2,0,1]=4 1010 B9R0.1 C=C[C@H](N)COC[C@@H](C)O 34a_100016989147_100009817552 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|1,0,2]=4 1012 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|1,0,1]=3 1013 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|1,0,1]=3 1014 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,0|2,0,1]=4 1015 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,1,0,0,0,0|2,0,1]=4 1017 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|1,0,1]=3 1020 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|0,0,3]=4 1023 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|0,0,2]=3 1024 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|0,0,2]=3 1025 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|0,0,2]=3 1026 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|1,0,2]=4 1027 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|1,0,2]=4 1028 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|1,0,2]=4 1029 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|1,0,2]=4 1030 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|1,0,2]=4 1031 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|1,0,2]=4 1032 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|1,0,2]=4 1033 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|1,0,2]=4 1034 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|1,0,2]=4 1035 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|1,0,2]=4 1036 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|1,0,2]=4 1037 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|1,0,2]=4 1038 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|1,0,2]=4 1039 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1040 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1041 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1042 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|1,0,2]=4 1044 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|1,0,2]=4 1045 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|1,0,2]=4 1047 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,1]=3 1048 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,1]=3 1049 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,1]=3 1050 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,1]=3 1051 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|1,0,1]=3 1052 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|1,0,1]=3 1053 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,0|2,0,1]=4 1066 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 1070 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|2,0,1]=4 1071 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 1072 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,0|2,0,1]=4 1074 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,0|2,0,1]=4 1075 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,0|2,0,1]=4 1076 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,0|2,0,1]=4 1078 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,0|2,0,1]=4 1079 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|2,0,1]=4 1085 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|2,0,1]=4 1093 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|2,0,1]=4 1094 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|2,0,1]=4 1095 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|2,0,1]=4 1096 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|2,0,1]=4 1100 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|1,0,2]=4 1102 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|1,0,2]=4 1103 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|1,0,2]=4 1104 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|2,0,1]=4 1105 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|2,0,1]=4 1106 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|2,0,1]=4 1107 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|2,0,1]=4 1108 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|2,0,1]=4 1109 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|2,0,1]=4 1111 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|2,0,1]=4 1112 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|2,0,1]=4 1115 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,0|2,0,1]=4 1122 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,0|2,0,1]=4 1123 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,0|2,0,1]=4 1124 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|2,0,1]=4 1125 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|0,0,2]=3 1129 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|0,0,2]=3 1130 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,1,0,0,0,0|1,0,2]=4 1131 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,1,0,0,0,0|1,0,2]=4 1132 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,1,0,0,0,0|1,0,2]=4 1133 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,1,0,0,0,0|1,0,2]=4 1134 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,1,0,0,0,0|1,0,2]=4 1135 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,1,0,0,0,0|1,0,2]=4 1136 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,1,0,0,0,0|1,0,2]=4 1137 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,1,0,0,0,0|1,0,2]=4 1138 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,1,0,0,0,0|1,0,2]=4 1139 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,1,0,0,0,0|1,0,2]=4 1140 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,1,0,0,0,0|1,0,2]=4 1141 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,1,0,0,0,0|1,0,2]=4 1142 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,1,0,0,0,0|1,0,2]=4 1143 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,1,0,0,0,0|1,0,2]=4 1144 B9R0.5 C#CCCCC(=O)C=CBr 1458a_100016273825_100000731252 [0,1,0,0,0,0|0,0,2]=3 1145 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,1,0,0,0,0|0,0,2]=3 1146 B9R0.5 C#CCCCC(=O)C=CCl 1458a_200016279998_100000731252 [0,1,0,0,0,0|0,0,2]=3 1147 B9R0.5 C#CCCCC(=O)C=CI 1458a_100016256311_100000731252 [0,1,0,0,0,0|0,0,2]=3 1148 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000210193_100000731252 [0,1,0,0,0,0|0,0,2]=3 1149 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000690238_100000210623 [0,1,0,0,0,0|0,0,2]=3 1150 B9R0.5 C#CCCNC(=O)C=CBr 1626a_100000755551_100016273825 [0,1,0,0,0,0|1,0,2]=4 1151 B9R0.5 C#CCCNC(=O)C=CBr 240690a_100000755551_100016273825 [0,1,0,0,0,0|1,0,2]=4 1152 B9R0.5 C#CCCNC(=O)C=CC 11a_100000755551_100000210699 [0,1,0,0,0,0|1,0,2]=4 1153 B9R0.5 C#CCCNC(=O)C=CC 1626a_100000755551_100000210699 [0,1,0,0,0,0|1,0,2]=4 1154 B9R0.5 C#CCCNC(=O)C=CC 240690a_100000755551_100000210699 [0,1,0,0,0,0|1,0,2]=4 1155 B9R0.5 C#CCCNC(=O)C=CCl 11a_100000755551_200016279998 [0,1,0,0,0,0|1,0,2]=4 1156 B9R0.5 C#CCCNC(=O)C=CCl 1626a_100000755551_200016279998 [0,1,0,0,0,0|1,0,2]=4 1157 B9R0.5 C#CCCNC(=O)C=CCl 240690a_100000755551_200016279998 [0,1,0,0,0,0|1,0,2]=4 1158 B9R0.5 C#CCCNC(=O)C=CI 1626a_100000755551_100016256311 [0,1,0,0,0,0|1,0,2]=4 1159 B9R0.5 C#CCCNC(=O)CC=C 11a_100000755551_100000210193 [0,1,0,0,0,0|1,0,2]=4 1160 B9R0.5 C#CCCNC(=O)CC=C 1626a_100000755551_100000210193 [0,1,0,0,0,0|1,0,2]=4 1161 B9R0.5 C#CCCNC(=O)CC=C 240690a_100000755551_100000210193 [0,1,0,0,0,0|1,0,2]=4 1162 B9R0.5 C#CCCNC(=O)CC=C 527a_100000755551_100000210193 [0,1,0,0,0,0|1,0,2]=4 1163 B9R0.5 C#CCNCC(=O)OC=C 34a_100000212058_100000036128 [0,1,0,0,0,0|1,0,2]=4 1164 B9R0.5 C#CCOCC(=O)CC=C 1458a_100011251226_100000210623 [0,1,0,0,0,0|1,0,2]=4 1165 B9R0.5 C#CCOCC(=O)OC=C 34a_100000210247_100000036128 [0,1,0,0,0,0|1,0,2]=4 1166 B9R0.5 C#CCSCC(=O)OC=C 62a_100000038162_100000036128 [0,1,0,0,0,0|1,0,2]=4 1167 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,0,0,0,0|2,0,1]=4 1168 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [0,1,0,0,0,0|0,0,2]=3 1169 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,1,0,0,0,0|0,0,2]=3 1170 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,1,0,0,0,0|0,0,2]=3 1171 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,1,0,0,0,0|0,0,2]=3 1172 B9R0.5 C=CCC(=O)C=CCOC 1458a_100016285016_100000210623 [0,1,0,0,0,0|1,0,2]=4 1173 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,1,0,0,0,0|1,0,2]=4 1174 B9R0.5 C=CCC(=O)CC#CCC 1458a_100000210193_100009813939 [0,1,0,0,0,0|0,0,2]=3 1175 B9R0.5 C=CCC(=O)CC#CCO 1458a_100000210193_200000047223 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000075515_100000210623 [0,1,0,0,0,0|1,0,1]=3 1177 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000210193_100000211468 [0,1,0,0,0,0|1,0,1]=3 1178 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|0,0,0]=1 1179 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|0,0,0]=1 1180 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,0,0,0,0|1,0,0]=2 1181 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|1,0,0]=2 1182 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|1,0,0]=2 1183 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|1,0,0]=2 1184 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|1,0,0]=2 1185 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|1,0,0]=2 1186 B9R0.5 C=CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210623 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.5 C=CCC(=O)CCOC=C 1458a_100000210193_100000039644 [0,1,0,0,0,0|1,0,2]=4 1188 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,0,0,0,0|1,0,0]=2 1189 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,0,0,0,0|1,0,0]=2 1190 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|1,0,0]=2 1191 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|1,0,0]=2 1192 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,0,0,0,0|1,0,0]=2 1193 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,1,0,0,0,0|2,0,0]=3 1194 B9R0.5 C=CCC(=O)CSCC#N 1458a_100000150266_100000210623 [0,1,0,0,0,0|2,0,1]=4 1195 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,0,0,0,0|1,0,0]=2 1196 B9R0.5 C=CCC(=O)NCC#CC 11a_100000685387_100000210193 [0,1,0,0,0,0|1,0,2]=4 1197 B9R0.5 C=CCC(=O)NCC#CC 1626a_100000685387_100000210193 [0,1,0,0,0,0|1,0,2]=4 1198 B9R0.5 C=CCC(=O)NCC#CC 527a_100000685387_100000210193 [0,1,0,0,0,0|1,0,2]=4 1199 B9R0.5 C=CCC(=O)NCCC#N 11a_100000720768_100000210193 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.5 C=CCC(=O)NCCC#N 1626a_100000720768_100000210193 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.5 C=CCC(=O)NCCC#N 240690a_100000720768_100000210193 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.5 C=CCC(=O)NCCC#N 527a_100000720768_100000210193 [0,1,0,0,0,0|2,0,1]=4 1203 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,0,0,0,0|1,0,0]=2 1204 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,0,0,0,0|1,0,0]=2 1205 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,0,0,0,0|1,0,0]=2 1206 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,0,0,0,0|1,0,0]=2 1207 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [0,1,0,0,0,0|2,0,0]=3 1208 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [0,1,0,0,0,0|2,0,0]=3 1209 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [0,1,0,0,0,0|2,0,0]=3 1210 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [0,1,0,0,0,0|2,0,0]=3 1211 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,1,0,0,0,0|2,0,0]=3 1212 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,1,0,0,0,0|2,0,0]=3 1214 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,1,0,0,0,0|2,0,0]=3 1215 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,1,0,0,0,0|2,0,0]=3 1216 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,1,0,0,0,0|2,0,0]=3 1217 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,1,0,0,0,0|2,0,0]=3 1218 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,1,0,0,0,0|2,0,0]=3 1219 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,1,0,0,0,0|2,0,0]=3 1220 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [0,1,0,0,0,0|2,0,0]=3 1221 B9R0.5 C=CCC(=O)NNCCO 22a_100000210001_100000210193 [0,1,0,0,0,0|3,0,0]=4 1222 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,0,0,0,0|2,0,1]=4 1224 B9R0.5 C=CCCCC(=O)C=CBr 1458a_100016273825_100000757094 [0,1,0,0,0,0|0,0,2]=3 1225 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,1,0,0,0,0|0,0,2]=3 1226 B9R0.5 C=CCCCC(=O)C=CCl 1458a_200016279998_100000757094 [0,1,0,0,0,0|0,0,2]=3 1227 B9R0.5 C=CCCCC(=O)C=CI 1458a_100016256311_100000757094 [0,1,0,0,0,0|0,0,2]=3 1228 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,1,0,0,0,0|0,0,2]=3 1229 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,1,0,0,0,0|0,0,2]=3 1230 B9R0.5 C=CCCNC(=O)C=CBr 1626a_100015191253_100016273825 [0,1,0,0,0,0|1,0,2]=4 1231 B9R0.5 C=CCCNC(=O)C=CBr 240690a_100015191253_100016273825 [0,1,0,0,0,0|1,0,2]=4 1232 B9R0.5 C=CCCNC(=O)C=CC 11a_100015191253_100000210699 [0,1,0,0,0,0|1,0,2]=4 1233 B9R0.5 C=CCCNC(=O)C=CC 1626a_100015191253_100000210699 [0,1,0,0,0,0|1,0,2]=4 1234 B9R0.5 C=CCCNC(=O)C=CC 240690a_100015191253_100000210699 [0,1,0,0,0,0|1,0,2]=4 1235 B9R0.5 C=CCCNC(=O)C=CCl 11a_100015191253_200016279998 [0,1,0,0,0,0|1,0,2]=4 1236 B9R0.5 C=CCCNC(=O)C=CCl 1626a_100015191253_200016279998 [0,1,0,0,0,0|1,0,2]=4 1237 B9R0.5 C=CCCNC(=O)C=CCl 240690a_100015191253_200016279998 [0,1,0,0,0,0|1,0,2]=4 1238 B9R0.5 C=CCCNC(=O)C=CI 1626a_100015191253_100016256311 [0,1,0,0,0,0|1,0,2]=4 1239 B9R0.5 C=CCCNC(=O)CC=C 11a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 1240 B9R0.5 C=CCCNC(=O)CC=C 1626a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 1241 B9R0.5 C=CCCNC(=O)CC=C 240690a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 1242 B9R0.5 C=CCCNC(=O)CC=C 527a_100015191253_100000210193 [0,1,0,0,0,0|1,0,2]=4 1243 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.5 C=CCN(C)CCCCF 2230a_100000225617_100000729493 [0,1,0,0,0,0|3,0,0]=4 1248 B9R0.5 C=CCN(C)CCCCF 269982a_100000225617_100000729493 [0,1,0,0,0,0|3,0,0]=4 1249 B9R0.5 C=CCN(C)CCCCO 2230a_100000225617_100000210776 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.5 C=CCN(C)CCCCO 2230a_100000717598_100000210623 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.5 C=CCN(C)CCCCO 269982a_100000225617_100000210776 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.5 C=CCN(C)CCCCO 269982a_100000717598_100000210623 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.5 C=CCN(C)CCCOC 2230a_100000224831_100000210623 [0,1,0,0,0,0|3,0,0]=4 1254 B9R0.5 C=CCN(C)CCCOC 2230a_100000225617_100000740836 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.5 C=CCN(C)CCCOC 269982a_100000224831_100000210623 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.5 C=CCN(C)CCCOC 269982a_100000225617_100000740836 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.5 C=CCN(C)CCOCC 2230a_100000225617_100011215890 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.5 C=CCN(C)CCOCC 269982a_100000225617_100011215890 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.5 C=CCN(C)CCSCC 2230a_100000225617_100000757381 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.5 C=CCN(C)CCSCC 269982a_100000225617_100000757381 [0,1,0,0,0,0|3,0,0]=4 1261 B9R0.5 C=CCNCC(=O)OC=C 2230a_100020586998_100000036128 [0,1,0,0,0,0|1,0,2]=4 1262 B9R0.5 C=CCOCC(=O)OC=C 34a_200000210373_100000036128 [0,1,0,0,0,0|1,0,2]=4 1263 B9R0.5 C=CCSCC(=O)CC=C 1458a_100000230395_100000210623 [0,1,0,0,0,0|1,0,2]=4 1264 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,1,0,0,0,0|1,0,2]=4 1265 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,1,0,0,0,0|1,0,2]=4 1266 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,0,0,0,0|2,0,1]=4 1267 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,0,0,0,0|2,0,1]=4 1268 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,1,0,0,0,0|2,0,0]=3 1270 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,1,0,0,0,0|2,0,0]=3 1271 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,1,0,0,0,0|2,0,0]=3 1272 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,1,0,0,0,0|2,0,0]=3 1273 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,0]=2 1274 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,1,0,0,0,0|2,0,0]=3 1275 B9R0.5 C=COC(=O)CSCC#N 62a_100000036128_100011215382 [0,1,0,0,0,0|2,0,1]=4 1276 B9R0.5 C=COC(=O)CSCC#N 62a_100011215382_100000036128 [0,1,0,0,0,0|2,0,1]=4 1277 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [0,1,0,0,0,0|2,0,1]=4 1278 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [0,1,0,0,0,0|2,0,1]=4 1279 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|1,0,0]=2 1280 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|1,0,0]=2 1281 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,1,0,0,0,0|2,0,0]=3 1282 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,1,0,0,0,0|2,0,0]=3 1283 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,1,0,0,0,0|2,0,0]=3 1284 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,1,0,0,0,0|2,0,0]=3 1285 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,0,0,0,0|2,0,0]=3 1286 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,0,0,0,0|2,0,0]=3 1287 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,0,0,0,0|2,0,0]=3 1288 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,0,0,0,0|2,0,0]=3 1289 B9R0.5 C=COCCC(=O)C=CBr 1458a_100016273825_100000039644 [0,1,0,0,0,0|1,0,2]=4 1290 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [0,1,0,0,0,0|1,0,2]=4 1291 B9R0.5 C=COCCC(=O)C=CCl 1458a_200016279998_100000039644 [0,1,0,0,0,0|1,0,2]=4 1292 B9R0.5 C=COCCC(=O)C=CI 1458a_100016256311_100000039644 [0,1,0,0,0,0|1,0,2]=4 1293 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|0,0,2]=3 1294 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,1,0,0,0,0|1,0,2]=4 1295 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|1,0,2]=4 1296 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,1,0,0,0,0|1,0,2]=4 1297 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,1,0,0,0,0|1,0,2]=4 1298 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,1,0,0,0,0|1,0,2]=4 1299 B9R0.5 CC#CCNC(=O)C=CBr 1626a_100000685387_100016273825 [0,1,0,0,0,0|1,0,2]=4 1300 B9R0.5 CC#CCNC(=O)C=CC 11a_100000685387_100000210699 [0,1,0,0,0,0|1,0,2]=4 1301 B9R0.5 CC#CCNC(=O)C=CC 1626a_100000685387_100000210699 [0,1,0,0,0,0|1,0,2]=4 1302 B9R0.5 CC#CCNC(=O)C=CCl 11a_100000685387_200016279998 [0,1,0,0,0,0|1,0,2]=4 1303 B9R0.5 CC#CCNC(=O)C=CCl 1626a_100000685387_200016279998 [0,1,0,0,0,0|1,0,2]=4 1304 B9R0.5 CC#CCNC(=O)C=CI 1626a_100000685387_100016256311 [0,1,0,0,0,0|1,0,2]=4 1305 B9R0.5 CC/C=C\CC(=O)C=CBr 1458a_100016273825_100103147603 [0,1,0,0,0,0|0,0,2]=3 1306 B9R0.5 CC/C=C\CC(=O)C=CCl 1458a_200016279998_100103147603 [0,1,0,0,0,0|0,0,2]=3 1307 B9R0.5 CC/C=C\CC(=O)C=CI 1458a_100016256311_100103147603 [0,1,0,0,0,0|0,0,2]=3 1308 B9R0.5 CC=CC(=NNCCC)C 4a_100000740057_100011218416 [0,1,0,0,0,0|3,0,0]=4 1309 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,1,0,0,0,0|0,0,2]=3 1310 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,1,0,0,0,0|0,0,2]=3 1311 B9R0.5 CC=CC(=O)CC#CCO 1458a_100000210699_200000047223 [0,1,0,0,0,0|1,0,2]=4 1312 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,1,0,0,0,0|1,0,1]=3 1313 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|0,0,0]=1 1314 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|1,0,0]=2 1315 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|1,0,0]=2 1316 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|1,0,0]=2 1317 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|1,0,0]=2 1318 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|1,0,0]=2 1319 B9R0.5 CC=CC(=O)NCCC#N 11a_100000720768_100000210699 [0,1,0,0,0,0|2,0,1]=4 1320 B9R0.5 CC=CC(=O)NCCC#N 1626a_100000720768_100000210699 [0,1,0,0,0,0|2,0,1]=4 1321 B9R0.5 CC=CC(=O)NCCC#N 240690a_100000720768_100000210699 [0,1,0,0,0,0|2,0,1]=4 1322 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|1,0,0]=2 1323 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|1,0,0]=2 1324 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|1,0,0]=2 1325 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,1,0,0,0,0|2,0,0]=3 1326 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,1,0,0,0,0|2,0,0]=3 1327 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,1,0,0,0,0|2,0,0]=3 1328 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,1,0,0,0,0|2,0,0]=3 1329 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,1,0,0,0,0|2,0,0]=3 1330 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,1,0,0,0,0|2,0,0]=3 1331 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,1,0,0,0,0|2,0,0]=3 1332 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,1,0,0,0,0|2,0,0]=3 1333 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,1,0,0,0,0|2,0,0]=3 1334 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,1,0,0,0,0|2,0,0]=3 1335 B9R0.5 CC=CC(=O)NNCCO 22a_100000210001_100000210699 [0,1,0,0,0,0|3,0,0]=4 1336 B9R0.5 CCC#CCC(=O)C=CBr 1458a_100016273825_100009813939 [0,1,0,0,0,0|0,0,2]=3 1337 B9R0.5 CCC#CCC(=O)C=CCl 1458a_200016279998_100009813939 [0,1,0,0,0,0|0,0,2]=3 1338 B9R0.5 CCC#CCC(=O)C=CI 1458a_100016256311_100009813939 [0,1,0,0,0,0|0,0,2]=3 1339 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|1,0,2]=4 1341 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|1,0,2]=4 1342 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|1,0,2]=4 1343 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|1,0,2]=4 1344 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,2]=4 1345 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|1,0,2]=4 1346 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|1,0,2]=4 1347 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|1,0,2]=4 1348 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|1,0,2]=4 1349 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|0,0,0]=1 1350 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|0,0,0]=1 1351 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|0,0,0]=1 1352 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|0,0,2]=3 1353 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|0,0,2]=3 1354 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|0,0,2]=3 1355 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|0,0,2]=3 1356 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|0,0,2]=3 1357 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|0,0,2]=3 1358 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|0,0,2]=3 1359 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|0,0,2]=3 1360 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|0,0,2]=3 1361 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|0,0,2]=3 1362 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|0,0,2]=3 1363 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|0,0,2]=3 1364 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|0,0,2]=3 1365 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|0,0,2]=3 1366 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|0,0,2]=3 1367 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|0,0,2]=3 1368 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|0,0,2]=3 1369 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|0,0,2]=3 1370 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|0,0,2]=3 1371 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|0,0,2]=3 1372 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|1,0,1]=3 1373 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 1374 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 1375 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,0,0,0,0|1,0,0]=2 1376 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,0,0,0,0|1,0,0]=2 1377 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,0,0,0,0|1,0,0]=2 1378 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,0,0,0,0|1,0,0]=2 1379 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,0,0,0,0|1,0,0]=2 1380 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,0,0,0,0|1,0,0]=2 1381 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,1,0,0,0,0|1,0,2]=4 1382 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,1,0,0,0,0|1,0,2]=4 1383 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1384 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1385 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1386 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 1387 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|1,0,2]=4 1388 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|1,0,2]=4 1389 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|1,0,2]=4 1390 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|1,0,2]=4 1391 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 1392 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 1393 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 1394 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|1,0,2]=4 1395 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 1396 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 1397 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 1398 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 1399 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 1400 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|1,0,2]=4 1401 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|1,0,2]=4 1402 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|1,0,2]=4 1403 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|1,0,2]=4 1404 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 1405 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 1406 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 1407 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 1408 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 1409 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 1410 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|1,0,2]=4 1414 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|1,0,2]=4 1415 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|1,0,2]=4 1416 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,2]=4 1417 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,0,2]=4 1418 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,0,2]=4 1419 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,0,2]=4 1420 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,0,2]=4 1421 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|1,0,2]=4 1422 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,1,0,0,0,0|1,0,2]=4 1423 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|1,0,2]=4 1424 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|1,0,2]=4 1425 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|1,0,2]=4 1426 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 1427 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 1428 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|1,0,2]=4 1429 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 1430 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,1]=4 1431 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|2,0,1]=4 1432 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,2]=4 1433 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,1,0,0,0,0|1,0,2]=4 1434 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|1,0,2]=4 1435 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|1,0,2]=4 1436 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|1,0,2]=4 1437 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|1,0,2]=4 1438 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|1,0,2]=4 1439 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 1440 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 1441 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 1442 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|1,0,2]=4 1443 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|1,0,2]=4 1444 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,0,1]=4 1445 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,0,1]=4 1446 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|2,0,1]=4 1447 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,2]=4 1448 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,2]=4 1449 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 1450 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 1451 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 1452 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 1453 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 1454 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 1455 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 1456 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 1457 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 1458 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 1459 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 1460 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 1461 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|1,0,2]=4 1462 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|1,0,2]=4 1463 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|1,0,2]=4 1464 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|1,0,2]=4 1465 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,2]=4 1466 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,2]=4 1467 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,2]=4 1468 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,2]=4 1469 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|1,0,2]=4 1470 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|1,0,2]=4 1471 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|1,0,2]=4 1472 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|1,0,2]=4 1473 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|1,0,2]=4 1474 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|1,0,2]=4 1475 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|1,0,2]=4 1476 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|1,0,2]=4 1477 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|1,0,2]=4 1478 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,0,0,0,0|1,0,0]=2 1479 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,0,0,0,0|1,0,0]=2 1480 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,0,0,0,0|1,0,0]=2 1481 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,1,0,0,0,0|1,0,2]=4 1482 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,1,0,0,0,0|1,0,2]=4 1483 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|1,0,2]=4 1484 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|1,0,2]=4 1485 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|1,0,2]=4 1486 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|1,0,2]=4 1487 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|1,0,2]=4 1488 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,1,0,0,0,0|2,0,1]=4 1489 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|1,0,2]=4 1490 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,0,0,0,0|1,0,0]=2 1491 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,0,0,0,0|1,0,0]=2 1492 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,0,0,0,0|1,0,0]=2 1493 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,1,0,0,0,0|1,0,2]=4 1494 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,1,0,0,0,0|1,0,2]=4 1495 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|1,0,2]=4 1496 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|1,0,2]=4 1497 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|1,0,2]=4 1498 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|1,0,2]=4 1499 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|1,0,2]=4 1500 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,1,0,0,0,0|2,0,1]=4 1501 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,1,0,0,0,0|2,0,1]=4 1502 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,1,0,0,0,0|2,0,1]=4 1503 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|1,0,2]=4 1504 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|1,0,2]=4 1505 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,0,0,0,0|1,0,0]=2 1506 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,0,0,0,0|1,0,0]=2 1507 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,0,0,0,0|1,0,0]=2 1508 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,1,0,0,0,0|1,0,2]=4 1509 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,1,0,0,0,0|1,0,2]=4 1510 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|1,0,2]=4 1511 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|1,0,2]=4 1512 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|1,0,2]=4 1513 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|1,0,2]=4 1514 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|1,0,2]=4 1515 B9R0.5 COCCNC(=O)C=CBr 1626a_100000209980_100016273825 [0,1,0,0,0,0|2,0,0]=3 1516 B9R0.5 COCCNC(=O)C=CBr 240690a_100000209980_100016273825 [0,1,0,0,0,0|2,0,0]=3 1517 B9R0.5 COCCNC(=O)C=CCl 1626a_100000209980_200016279998 [0,1,0,0,0,0|2,0,0]=3 1518 B9R0.5 COCCNC(=O)C=CCl 240690a_100000209980_200016279998 [0,1,0,0,0,0|2,0,0]=3 1519 B9R0.5 COCCNC(=O)C=CI 1626a_100000209980_100016256311 [0,1,0,0,0,0|2,0,0]=3 1520 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|1,0,2]=4 1521 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|1,0,2]=4 1522 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,1,0,0,0,0|1,0,2]=4 1523 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|1,0,2]=4 1524 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|1,0,2]=4 1525 B9R0.5 CSCCNC(=O)C=CBr 1626a_100020590264_100016273825 [0,1,0,0,0,0|2,0,0]=3 1526 B9R0.5 CSCCNC(=O)C=CBr 240690a_100020590264_100016273825 [0,1,0,0,0,0|2,0,0]=3 1527 B9R0.5 CSCCNC(=O)C=CCl 11a_100020590264_200016279998 [0,1,0,0,0,0|2,0,0]=3 1528 B9R0.5 CSCCNC(=O)C=CCl 1626a_100020590264_200016279998 [0,1,0,0,0,0|2,0,0]=3 1529 B9R0.5 CSCCNC(=O)C=CCl 240690a_100020590264_200016279998 [0,1,0,0,0,0|2,0,0]=3 1530 B9R0.5 CSCCNC(=O)C=CI 1626a_100020590264_100016256311 [0,1,0,0,0,0|2,0,0]=3 1531 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,1,0,0,0,0|1,0,2]=4 1532 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,1,0,0,0,0|1,0,2]=4 1533 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,1,0,0,0,0|1,0,2]=4 1534 B9R0.5 N#CCCCC(=O)C=CBr 1458a_100016273825_100000211468 [0,1,0,0,0,0|1,0,1]=3 1535 B9R0.5 N#CCCCC(=O)C=CCl 1458a_200016279998_100000211468 [0,1,0,0,0,0|1,0,1]=3 1536 B9R0.5 N#CCCCC(=O)C=CI 1458a_100016256311_100000211468 [0,1,0,0,0,0|1,0,1]=3 1537 B9R0.5 N#CCCNC(=O)C=CBr 1626a_100000720768_100016273825 [0,1,0,0,0,0|2,0,1]=4 1538 B9R0.5 N#CCCNC(=O)C=CBr 240690a_100000720768_100016273825 [0,1,0,0,0,0|2,0,1]=4 1539 B9R0.5 N#CCCNC(=O)C=CCl 11a_100000720768_200016279998 [0,1,0,0,0,0|2,0,1]=4 1540 B9R0.5 N#CCCNC(=O)C=CCl 1626a_100000720768_200016279998 [0,1,0,0,0,0|2,0,1]=4 1541 B9R0.5 N#CCCNC(=O)C=CCl 240690a_100000720768_200016279998 [0,1,0,0,0,0|2,0,1]=4 1542 B9R0.5 N#CCCNC(=O)C=CI 1626a_100000720768_100016256311 [0,1,0,0,0,0|2,0,1]=4 1543 B9R0.5 O=C(C=CBr)CC#CCO 1458a_100016273825_200000047223 [0,1,0,0,0,0|1,0,2]=4 1544 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,0,0,0,0|1,0,0]=2 1545 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,0,0,0,0|1,0,0]=2 1546 B9R0.5 O=C(C=CBr)NCCCF 1626a_100015189416_100016273825 [0,1,0,0,0,0|2,0,0]=3 1547 B9R0.5 O=C(C=CBr)NCCCF 240690a_100015189416_100016273825 [0,1,0,0,0,0|2,0,0]=3 1548 B9R0.5 O=C(C=CBr)NCCCO 240690a_100000182051_100016273825 [0,1,0,0,0,0|2,0,0]=3 1549 B9R0.5 O=C(C=CCl)CC#CCO 1458a_200016279998_200000047223 [0,1,0,0,0,0|1,0,2]=4 1550 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,0,0,0,0|1,0,0]=2 1551 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,0,0,0,0|1,0,0]=2 1552 B9R0.5 O=C(C=CCl)NCCCF 11a_100015189416_200016279998 [0,1,0,0,0,0|2,0,0]=3 1553 B9R0.5 O=C(C=CCl)NCCCF 1626a_100015189416_200016279998 [0,1,0,0,0,0|2,0,0]=3 1554 B9R0.5 O=C(C=CCl)NCCCF 240690a_100015189416_200016279998 [0,1,0,0,0,0|2,0,0]=3 1555 B9R0.5 O=C(C=CCl)NCCCO 240690a_100000182051_200016279998 [0,1,0,0,0,0|2,0,0]=3 1556 B9R0.5 O=C(C=CI)CC#CCO 1458a_100016256311_200000047223 [0,1,0,0,0,0|1,0,2]=4 1557 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,0,0,0,0|1,0,0]=2 1558 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,0,0,0,0|1,0,0]=2 1559 B9R0.5 O=C(C=CI)NCCCF 1626a_100015189416_100016256311 [0,1,0,0,0,0|2,0,0]=3 1560 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|1,0,2]=4 1561 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|1,0,2]=4 1562 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|1,0,2]=4 1563 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|1,0,2]=4 1564 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|0,0,2]=3 1565 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|1,0,2]=4 1566 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,1,0,0,0,0|2,0,1]=4 1567 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|0,0,0]=1 1568 B9R0.8 C=CC(=O)N(C)CCC#N 1626a_100000184479_100000185746 [0,1,0,0,0,0|2,0,1]=4 1569 B9R0.8 C=CC(=O)N(C)CCC#N 240690a_100000184479_200121576911 [0,1,0,0,0,0|2,0,1]=4 1570 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|1,0,0]=2 1571 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|1,0,0]=2 1572 B9R0.8 C=CC(=O)N(C)CCCO 240690a_100000213112_200121576911 [0,1,0,0,0,0|2,0,0]=3 1573 B9R0.8 C=CC(=O)N(C)CCOC 1626a_100000743101_100000185746 [0,1,0,0,0,0|2,0,0]=3 1574 B9R0.8 C=CC(=O)N(C)CCOC 240690a_100000743101_200121576911 [0,1,0,0,0,0|2,0,0]=3 1575 B9R0.8 C=CC(=O)N(C)CCSC 1626a_100000686725_100000185746 [0,1,0,0,0,0|2,0,0]=3 1576 B9R0.8 C=CC(=O)N(C)CCSC 240690a_100000686725_200121576911 [0,1,0,0,0,0|2,0,0]=3 1577 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|1,0,2]=4 1578 B9R0.8 C=CC(C)N(C)CCCC 269982a_100000207549_100011215867 [0,1,0,0,0,0|2,0,1]=4 1579 B9R0.8 C=CCCN(C)C(=O)C=C 1626a_100020639649_100000185746 [0,1,0,0,0,0|1,0,2]=4 1580 B9R0.8 C=CCCN(C)C(=O)C=C 240690a_100020639649_200121576911 [0,1,0,0,0,0|1,0,2]=4 1581 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 34a_100015455354_100000210303 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 7a_100015455354_100000210303 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|1,0,2]=4 1584 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|1,0,2]=4 1585 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|0,0,2]=3 1586 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|0,0,2]=3 1587 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|1,0,1]=3 1588 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|1,0,1]=3 1589 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|1,0,1]=3 1590 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|1,0,1]=3 1591 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|1,0,1]=3 1592 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|1,0,1]=3 1593 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|0,0,2]=3 1594 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|1,0,1]=3 1595 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|1,0,1]=3 1596 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|1,0,1]=3 1597 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 1598 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 1599 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 1600 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 1601 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|2,0,1]=4 1602 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|2,0,1]=4 1607 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|2,0,1]=4 1608 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,1,0,0,0,0|3,0,0]=4 1609 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|2,0,1]=4 1610 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|2,0,1]=4 1611 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|2,0,1]=4 1612 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|1,0,2]=4 1613 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|1,0,2]=4 1614 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,0,0,0,0|3,0,0]=4 1627 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.20 C=CC(C)(C)OCCCC 34a_100011215311_100000210210 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.20 C=CC(C)(C)OCCCC 7a_100011215311_100000210211 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.20 C=CC(F)(F)SCCCC 62a_100000210211_100009814244 [0,1,0,0,0,0|2,0,1]=4 1643 B9R0.20 C=CC(F)(F)SCCCC 62a_100009814244_100000210210 [0,1,0,0,0,0|2,0,1]=4 1644 B9R0.20 C=C[Si](C)(C)CSCCC 62a_100000038793_100000210303 [0,1,0,0,0,0|2,1,0]=4 1645 B9R0.20 C=C[Si](C)(C)CSCCC 62a_100000210303_100000038793 [0,1,0,0,0,0|2,1,0]=4 1646 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,1,0,0,0,0|2,0,1]=4 1647 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.24 C=CC(=NNC(C)CC)C 4a_100000718999_200015361842 [0,1,0,0,0,0|3,0,0]=4 1649 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [0,1,0,0,0,0|1,0,1]=3 1650 B9R0.24 C=CC(=O)NCC(=O)CF 1458a_200011222540_100015361967 [0,1,0,0,0,0|2,0,1]=4 1651 B9R0.24 C=CC(=O)NCC(=O)NC 11a_106832991635_200011222540 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100000693194_200121576911 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100102657272_200011222540 [0,1,0,0,0,0|2,0,1]=4 1654 B9R0.24 C=CC(=O)NCC(=O)NC 527a_100102657272_200011222540 [0,1,0,0,0,0|2,0,1]=4 1655 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,1,0,0,0,0|1,0,0]=2 1656 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,1,0,0,0,0|1,0,0]=2 1657 B9R0.24 C=CC(=O)NCC(C)CO 240690a_100000744482_200121576911 [0,1,0,0,0,0|2,0,0]=3 1658 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,1,0,0,0,0|1,0,0]=2 1659 B9R0.24 C=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000185746 [0,1,0,0,0,0|2,0,0]=3 1660 B9R0.24 C=CC(=O)NC[C@@H](C)OC 240690a_100020591295_200121576911 [0,1,0,0,0,0|2,0,0]=3 1661 B9R0.24 C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_200121576911 [0,1,0,0,0,0|2,0,0]=3 1662 B9R0.24 C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200121576911 [0,1,0,0,0,0|2,0,0]=3 1663 B9R0.24 C=CC(=O)NNC(=O)CC 22a_100000183195_100000185746 [0,1,0,0,0,0|2,0,1]=4 1664 B9R0.24 C=CC(=O)NNC(C)CC 22a_100000718999_100000185746 [0,1,0,0,0,0|2,0,0]=3 1665 B9R0.24 C=CC(C)COC(C)CC 34a_100011215527_100011215416 [0,1,0,0,0,0|2,0,1]=4 1666 B9R0.24 C=CC(C)COC(C)CC 7a_100011215527_100000758301 [0,1,0,0,0,0|2,0,1]=4 1667 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [0,1,0,0,0,0|2,0,1]=4 1668 B9R0.24 C=CC(C)OCC(O)CC 34a_100000695699_100011218378 [0,1,0,0,0,0|2,0,1]=4 1669 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,1,0,0,0,0|2,0,1]=4 1671 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [0,1,0,0,0,0|2,0,1]=4 1672 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.24 C=CC(O)CNC(C)CC 2230a_100000209981_100000730141 [0,1,0,0,0,0|1,0,2]=4 1674 B9R0.24 C=CC(O)COC(C)CC 7a_100000210228_100000730141 [0,1,0,0,0,0|1,0,2]=4 1675 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,1,0,0,0,0|1,0,2]=4 1676 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,1,0,0,0,0|1,0,2]=4 1677 B9R0.24 C=C[C@H](N)COC(C)CC 34a_100016989147_100011215416 [0,1,0,0,0,0|2,0,1]=4 1678 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,0,0,0,0|1,0,2]=4 1679 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|1,0,2]=4 1680 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|0,0,2]=3 1681 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,0|1,0,2]=4 1682 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|1,0,2]=4 1683 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,0|1,0,2]=4 1684 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,0|1,0,2]=4 1685 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,0|1,0,2]=4 1686 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,0|1,0,2]=4 1687 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 1688 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 1689 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 1690 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 1691 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,0|1,0,2]=4 1692 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,0|1,0,2]=4 1693 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,0|1,0,2]=4 1694 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,0|1,0,1]=3 1695 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|1,0,1]=3 1696 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|1,0,1]=3 1697 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|1,0,1]=3 1698 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|1,0,1]=3 1699 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,1,0,0,0,0|2,0,1]=4 1700 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,0|2,0,1]=4 1709 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,0|2,0,1]=4 1710 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,0|2,0,1]=4 1711 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,0|2,0,1]=4 1712 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,0|2,0,1]=4 1713 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,0|2,0,1]=4 1717 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|1,0,1]=3 1718 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|1,0,1]=3 1719 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,0,0,0,0|2,0,1]=4 1721 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,0|2,0,1]=4 1722 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,0|2,0,1]=4 1723 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,0|2,0,1]=4 1724 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,0|2,0,1]=4 1725 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,1,0,0,0,0|2,0,1]=4 1726 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|2,0,1]=4 1735 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|2,0,1]=4 1737 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|2,0,1]=4 1738 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,1,0,0,0,0|2,0,1]=4 1739 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,1,0,0,0,0|2,0,1]=4 1740 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,1,0,0,0,0|2,0,1]=4 1741 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,1,0,0,0,0|2,0,1]=4 1742 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,1,0,0,0,0|2,0,1]=4 1743 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,1,0,0,0,0|0,0,3]=4 1744 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,1,0,0,0,0|0,0,2]=3 1745 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|0,0,3]=4 1746 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,1,0,0,0,0|1,0,2]=4 1747 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,0|1,0,2]=4 1748 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,0|1,0,2]=4 1750 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,0|0,0,1]=2 1751 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,1,0,0,0,0|1,0,1]=3 1752 B9R0.34 C=CC(=O)CC(=O)NCO 1458a_100000185746_100000185155 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|1,0,1]=3 1754 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,0,0,0,0|0,0,0]=1 1755 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,1,0,0,0,0|1,0,0]=2 1756 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,1,0,0,0,0|1,0,0]=2 1757 B9R0.34 C=CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000185746 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.34 C=CC(=O)N[C@@H](C)CC#N 240690a_100016994482_200121576911 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.34 C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200121576911 [0,1,0,0,0,0|2,0,0]=3 1760 B9R0.34 C=CC(=O)N[C@H](C)COC 1626a_100000764878_100000185746 [0,1,0,0,0,0|2,0,0]=3 1761 B9R0.34 C=CC(=O)N[C@H](C)COC 240690a_100000764878_200121576911 [0,1,0,0,0,0|2,0,0]=3 1762 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|1,0,2]=4 1763 B9R0.34 C=CC(C)OC(C)CCC 34a_100000695699_100000766640 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.34 C=CC(O)CN(C)CCC 2230a_100000747261_100000730141 [0,1,0,0,0,0|1,0,2]=4 1766 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|0,0,3]=4 1767 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|0,0,3]=4 1768 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|1,0,2]=4 1769 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|1,0,2]=4 1770 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|1,0,2]=4 1771 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|1,0,2]=4 1772 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,0|0,0,2]=3 1773 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,0|0,0,2]=3 1774 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,0|1,0,1]=3 1775 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,0|1,0,1]=3 1776 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,0|1,0,1]=3 1777 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,0|1,0,1]=3 1778 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,0|1,0,1]=3 1779 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,0|1,0,1]=3 1780 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 1781 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 1782 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 1783 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 1784 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,0|2,0,1]=4 1789 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,0|2,0,1]=4 1791 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,0|1,0,2]=4 1792 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,0|2,0,1]=4 1795 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,0|2,0,1]=4 1796 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,0|2,0,1]=4 1797 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,0|2,0,1]=4 1798 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|1,0,2]=4 1799 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,1,0,0,0,0|2,0,1]=4 1800 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,0|2,0,1]=4 1803 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,0|2,0,1]=4 1804 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,0,0,0,0|1,0,2]=4 1807 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,0|2,0,1]=4 1813 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,0|2,0,1]=4 1814 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,1,0,0,0,0|2,0,1]=4 1815 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,1,0,0,0,0|2,0,1]=4 1816 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,1,0,0,0,0|2,0,1]=4 1817 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,1,0,0,0,0|2,0,1]=4 1818 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,1,0,0,0,0|2,0,1]=4 1819 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,0|2,0,1]=4 1821 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,1,0,0,0,0|0,0,3]=4 1822 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,1,0,0,0,0|0,0,3]=4 1823 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,0,0,0,0|0,0,3]=4 1824 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|0,0,2]=3 1825 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,0,0,0,0|0,0,2]=3 1826 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|0,0,2]=3 1827 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|0,0,2]=3 1828 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,0,0,0,0|0,0,2]=3 1829 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,0,0,0,0|0,0,2]=3 1830 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,1,0,0,0,0|1,0,2]=4 1831 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|0,0,2]=3 1832 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,1,0,0,0,0|0,0,3]=4 1833 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,1,0,0,0,0|0,0,1]=2 1834 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|0,0,3]=4 1835 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|0,0,3]=4 1836 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|1,0,2]=4 1837 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|1,0,2]=4 1838 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|1,0,2]=4 1839 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 1840 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 1841 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 1842 B9R0.46 C#CCCCNC(=O)C=C 1626a_100000718082_100000185746 [0,1,0,0,0,0|0,0,2]=3 1843 B9R0.46 C#CCCCNC(=O)C=C 240690a_100000718082_200121576911 [0,1,0,0,0,0|0,0,2]=3 1844 B9R0.46 C#CCOCCC(=O)C=C 1458a_100000185746_100010402529 [0,1,0,0,0,0|0,0,2]=3 1845 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,1,0,0,0,0|2,0,1]=4 1846 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,1,0,0,0,0|2,0,1]=4 1847 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,1,0,0,0,0|2,0,1]=4 1848 B9R0.46 C=CC(=NNCCCC)C 4a_100025702795_200015361842 [0,1,0,0,0,0|2,0,0]=3 1849 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,1,0,0,0,0|0,0,1]=2 1850 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,1,0,0,0,0|0,0,1]=2 1851 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|0,0,0]=1 1852 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|0,0,0]=1 1853 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|0,0,0]=1 1854 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|0,0,0]=1 1855 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|0,0,0]=1 1856 B9R0.46 C=CC(=O)CCOCC#N 1458a_100000185746_200000047693 [0,1,0,0,0,0|1,0,1]=3 1857 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|0,0,0]=1 1858 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,0,0,0,0|1,0,0]=2 1859 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|0,0,0]=1 1860 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|0,0,0]=1 1861 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|0,0,0]=1 1862 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,1,0,0,0,0|1,0,0]=2 1863 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|1,0,0]=2 1864 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|1,0,0]=2 1865 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|1,0,0]=2 1866 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|1,0,0]=2 1867 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,1,0,0,0,0|1,0,0]=2 1868 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,0,0,0,0|1,0,0]=2 1869 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,0,0,0,0|1,0,0]=2 1870 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,0,0,0,0|1,0,0]=2 1871 B9R0.46 C=CC(=O)NCCOCF 34a_100011304386_100015361967 [0,1,0,0,0,0|2,0,0]=3 1872 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,0,0,0,0|1,0,0]=2 1873 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,0,0,0,0|1,0,0]=2 1874 B9R0.46 C=CC(=O)NNCCC#N 22a_100000229987_100000185746 [0,1,0,0,0,0|2,0,1]=4 1875 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,0,0,0,0|1,0,0]=2 1876 B9R0.46 C=CC(=O)NNCCOC 22a_100000741390_100000185746 [0,1,0,0,0,0|2,0,0]=3 1877 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,0,0,0,0|1,0,0]=2 1878 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,0,0,0,0|1,0,0]=2 1879 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|1,0,0]=2 1880 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|1,0,0]=2 1881 B9R0.46 C=CC(=O)OCCSCF 62a_100009813456_100015361967 [0,1,0,0,0,0|2,0,0]=3 1882 B9R0.46 C=CC(=O)OCCSCF 62a_100015361967_100009813456 [0,1,0,0,0,0|2,0,0]=3 1883 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|1,0,1]=3 1884 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|1,0,1]=3 1885 B9R0.46 C=CC(C)COCCCF 34a_100011215527_100011934791 [0,1,0,0,0,0|2,0,1]=4 1886 B9R0.46 C=CC(C)COCCCF 7a_100011215527_100011934791 [0,1,0,0,0,0|2,0,1]=4 1887 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [0,1,0,0,0,0|2,0,1]=4 1888 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [0,1,0,0,0,0|2,0,1]=4 1889 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [0,1,0,0,0,0|2,0,1]=4 1890 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [0,1,0,0,0,0|2,0,1]=4 1891 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [0,1,0,0,0,0|2,0,1]=4 1892 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [0,1,0,0,0,0|2,0,1]=4 1893 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|1,0,1]=3 1894 B9R0.46 C=CC(C)OCCCCF 34a_100000695699_100000729493 [0,1,0,0,0,0|2,0,1]=4 1895 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [0,1,0,0,0,0|2,0,1]=4 1896 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [0,1,0,0,0,0|2,0,1]=4 1897 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [0,1,0,0,0,0|2,0,1]=4 1898 B9R0.46 C=CC(C)OCCSCC 34a_100000695699_100000757381 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|1,0,1]=3 1900 B9R0.46 C=CC(C)SCCCCF 62a_100011215867_100000729493 [0,1,0,0,0,0|2,0,1]=4 1901 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [0,1,0,0,0,0|2,0,1]=4 1902 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [0,1,0,0,0,0|2,0,1]=4 1903 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [0,1,0,0,0,0|2,0,1]=4 1904 B9R0.46 C=CC(C)SCCSCC 62a_100011215867_100000757381 [0,1,0,0,0,0|2,0,1]=4 1905 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|0,0,2]=3 1906 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|0,0,2]=3 1907 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,1,0,0,0,0|1,0,2]=4 1908 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,1,0,0,0,0|1,0,2]=4 1909 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,1,0,0,0,0|1,0,2]=4 1910 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,1,0,0,0,0|1,0,2]=4 1911 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,1,0,0,0,0|1,0,2]=4 1912 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|0,0,2]=3 1913 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|0,0,2]=3 1914 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,1,0,0,0,0|1,0,2]=4 1915 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,1,0,0,0,0|1,0,2]=4 1916 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,1,0,0,0,0|1,0,2]=4 1917 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,1,0,0,0,0|1,0,2]=4 1918 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,1,0,0,0,0|1,0,2]=4 1919 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,1,0,0,0,0|1,0,2]=4 1920 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|0,0,2]=3 1921 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|0,0,2]=3 1922 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,1,0,0,0,0|1,0,2]=4 1923 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,1,0,0,0,0|1,0,2]=4 1924 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,1,0,0,0,0|1,0,2]=4 1925 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,1,0,0,0,0|1,0,2]=4 1926 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,1,0,0,0,0|1,0,2]=4 1927 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,1,0,0,0,0|1,0,2]=4 1928 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,1,0,0,0,0|1,0,2]=4 1929 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,1,0,0,0,0|1,0,2]=4 1930 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,1,0,0,0,0|1,0,2]=4 1931 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,1,0,0,0,0|1,0,2]=4 1932 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|0,0,1]=2 1933 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|0,0,3]=4 1934 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|0,0,3]=4 1935 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|1,0,2]=4 1936 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|1,0,2]=4 1937 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|1,0,2]=4 1938 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|1,0,2]=4 1939 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|1,0,2]=4 1940 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|1,0,2]=4 1941 B9R0.46 C=CCCCNC(=O)C=C 1626a_100000700776_100000185746 [0,1,0,0,0,0|0,0,2]=3 1942 B9R0.46 C=CCCCNC(=O)C=C 240690a_100000700776_200121576911 [0,1,0,0,0,0|0,0,2]=3 1943 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|1,0,1]=3 1944 B9R0.46 C=C[C@H](N)COCCCF 34a_100016989147_100011934791 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [0,1,0,0,0,0|2,0,1]=4 1947 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [0,1,0,0,0,0|2,0,1]=4 1948 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|0,0,3]=4 1949 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|1,0,2]=4 1950 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|0,0,3]=4 1951 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|0,0,2]=3 1952 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|0,0,2]=3 1953 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|0,0,2]=3 1954 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|0,0,2]=3 1955 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|1,0,2]=4 1956 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|1,0,2]=4 1957 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|1,0,2]=4 1958 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|1,0,2]=4 1959 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|1,0,2]=4 1960 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|1,0,2]=4 1961 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|1,0,2]=4 1962 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|1,0,2]=4 1963 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|1,0,2]=4 1964 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|1,0,2]=4 1965 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|1,0,2]=4 1966 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|1,0,2]=4 1967 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|1,0,2]=4 1968 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|1,0,2]=4 1969 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|1,0,2]=4 1970 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|1,0,2]=4 1971 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|1,0,2]=4 1972 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|1,0,2]=4 1973 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|1,0,2]=4 1974 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|1,0,2]=4 1975 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|1,0,2]=4 1976 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 1977 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 1978 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 1979 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 1980 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|0,0,3]=4 1981 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,0,0,0,0|1,0,2]=4 1982 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|1,0,2]=4 1983 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|1,0,2]=4 1984 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|1,0,2]=4 1985 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|1,0,2]=4 1986 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|0,0,3]=4 1987 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|1,0,2]=4 1988 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|1,0,2]=4 1989 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|1,0,2]=4 1990 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|1,0,2]=4 1991 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|0,0,2]=3 1992 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|0,0,2]=3 1993 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,1]=3 1994 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|1,0,1]=3 1995 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|1,0,1]=3 1996 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|1,0,1]=3 1997 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|1,0,1]=3 1998 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|1,0,1]=3 1999 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 2000 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 2001 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 2002 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 2003 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,1]=3 2004 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,1]=3 2005 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,1]=3 2006 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,1]=3 2007 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,1]=3 2008 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,1]=3 2009 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,1]=3 2010 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,1]=3 2011 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|0,0,2]=3 2012 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,1]=3 2013 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,1]=3 2014 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,1]=3 2015 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,1]=3 2016 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,1]=3 2017 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|1,0,2]=4 2018 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|2,0,1]=4 2019 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|2,0,1]=4 2020 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|2,0,1]=4 2021 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|2,0,1]=4 2022 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|0,0,2]=3 2023 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|0,0,2]=3 2024 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|0,0,2]=3 2025 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|0,0,2]=3 2026 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|1,0,1]=3 2027 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,1]=3 2028 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,1]=3 2029 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,1]=3 2030 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,1]=3 2031 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,1]=3 2032 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,1]=3 2033 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,1]=3 2034 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,1]=3 2035 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,1]=3 2036 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,1]=3 2037 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|0,0,2]=3 2038 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|0,0,2]=3 2039 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|0,0,2]=3 2040 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|1,0,1]=3 2041 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,1]=3 2042 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,1]=3 2043 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,1]=3 2044 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,1]=3 2045 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,1]=3 2046 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,1]=3 2047 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,1]=3 2048 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,1]=3 2049 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,1]=3 2050 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,1]=3 2051 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|3,0,0]=4 2052 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|0,0,2]=3 2053 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,1]=3 2054 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,1]=3 2055 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,1]=3 2056 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,1]=3 2057 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,1]=3 2058 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,1]=3 2059 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,1]=3 2060 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,1]=3 2061 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|2,0,1]=4 2062 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,1]=3 2063 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,1]=3 2064 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,1]=3 2065 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,1]=3 2066 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|1,0,2]=4 2067 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|2,0,1]=4 2068 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|0,0,2]=3 2069 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,1]=3 2070 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,1]=3 2071 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,0,0,0,0|2,0,0]=3 2072 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|1,0,1]=3 2073 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|1,0,2]=4 2074 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|1,0,2]=4 2075 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|1,0,2]=4 2076 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|1,0,2]=4 2077 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|1,0,2]=4 2078 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|1,0,2]=4 2079 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|2,0,1]=4 2080 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|2,0,1]=4 2081 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|2,0,1]=4 2082 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|2,0,1]=4 2083 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|2,0,1]=4 2084 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|2,0,1]=4 2085 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|2,0,1]=4 2086 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|2,0,1]=4 2087 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|2,0,1]=4 2088 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|1,0,2]=4 2089 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,0,1]=4 2090 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|2,0,1]=4 2091 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|1,0,2]=4 2092 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|1,0,2]=4 2093 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|2,0,1]=4 2094 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|2,0,1]=4 2095 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|2,0,1]=4 2096 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|2,0,1]=4 2097 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,1]=3 2098 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,1]=3 2099 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|1,0,1]=3 2100 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|1,0,1]=3 2101 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 2102 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 2103 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 2104 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 2105 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|2,0,1]=4 2106 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|2,0,1]=4 2107 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|2,0,1]=4 2108 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|2,0,1]=4 2109 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|2,0,1]=4 2110 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|2,0,1]=4 2111 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|2,0,1]=4 2112 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|2,0,1]=4 2113 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,1]=4 2114 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,1]=4 2115 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,1]=3 2116 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,1,0,0,0,0|2,0,1]=4 2117 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,1,0,0,0,0|2,0,1]=4 2119 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,0,0,0,0|2,0,1]=4 2120 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,0,0,0,0|2,0,1]=4 2121 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,0,0,0,0|2,0,1]=4 2122 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|2,0,1]=4 2123 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|2,0,1]=4 2124 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|2,0,1]=4 2125 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|2,0,1]=4 2126 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,0,0,0,0|2,0,1]=4 2127 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,0,0,0,0|2,0,1]=4 2128 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,0,0,0,0|2,0,1]=4 2129 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,1,0,0,0,0|2,0,1]=4 2130 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,1,0,0,0,0|2,0,1]=4 2131 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,1,0,0,0,0|2,0,1]=4 2132 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|2,0,1]=4 2133 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|2,0,1]=4 2134 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|2,0,1]=4 2135 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,1,0,0,0,0|2,0,1]=4 2136 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,1,0,0,0,0|2,0,1]=4 2137 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,1,0,0,0,0|2,0,1]=4 2138 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|2,0,1]=4 2139 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|2,0,1]=4 2140 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,1,0,0,0,0|2,0,1]=4 2141 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,1,0,0,0,0|2,0,1]=4 2142 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,1,0,0,0,0|2,0,1]=4 2143 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,1,0,0,0,0|2,0,1]=4 2144 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|2,0,1]=4 2145 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|2,0,1]=4 2146 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|2,0,1]=4 2147 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|2,0,1]=4 2148 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,0,1]=4 2149 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,0,1]=4 2150 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|2,0,1]=4 2152 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|2,0,1]=4 2153 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|2,0,1]=4 2154 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|2,0,1]=4 2155 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|2,0,1]=4 2156 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|2,0,1]=4 2157 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|2,0,1]=4 2158 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|2,0,1]=4 2159 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 2160 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 2161 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|2,0,1]=4 2162 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|2,0,1]=4 2163 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|2,0,1]=4 2164 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|2,0,1]=4 2166 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|2,0,1]=4 2167 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|2,0,1]=4 2168 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|2,0,1]=4 2169 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|2,0,1]=4 2170 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|2,0,1]=4 2171 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|2,0,1]=4 2172 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|2,0,1]=4 2173 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|2,0,1]=4 2174 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|2,0,1]=4 2175 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,1]=4 2176 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 2177 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 2178 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 2179 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 2180 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,1]=4 2181 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 2182 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|2,0,1]=4 2183 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 2184 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|2,0,1]=4 2185 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|2,0,1]=4 2186 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|2,0,1]=4 2187 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 2188 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 2189 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 2190 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 2191 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|2,0,1]=4 2192 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,1]=3 2193 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,1]=3 2194 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,1]=3 2195 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|2,0,1]=4 2196 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|2,0,1]=4 2197 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|2,0,1]=4 2198 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,1]=3 2199 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,1]=3 2200 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,1]=3 2201 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,1]=3 2202 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,1]=3 2203 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,1]=3 2204 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|2,0,1]=4 2205 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|2,0,1]=4 2206 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|2,0,1]=4 2207 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|2,0,1]=4 2208 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|2,0,1]=4 2209 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|2,0,1]=4 2210 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|2,0,1]=4 2211 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|2,0,1]=4 2212 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|2,0,1]=4 2213 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|2,0,1]=4 2214 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|2,0,1]=4 2215 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|2,0,1]=4 2216 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|2,0,1]=4 2217 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|2,0,1]=4 2218 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|2,0,1]=4 2219 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|2,0,1]=4 2220 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,1]=4 2221 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,1]=4 2222 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,1]=4 2223 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|2,0,1]=4 2224 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|2,0,1]=4 2225 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|2,0,1]=4 2226 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|2,0,1]=4 2227 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|2,0,1]=4 2228 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|2,0,1]=4 2229 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|2,0,1]=4 2230 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|2,0,1]=4 2231 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|2,0,1]=4 2232 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,1]=4 2233 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,1]=4 2234 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|2,0,1]=4 2235 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|2,0,1]=4 2236 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,1]=3 2237 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,1]=3 2238 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,1]=3 2239 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,1]=3 2240 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 2241 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 2242 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|2,0,1]=4 2243 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|2,0,1]=4 2244 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|2,0,1]=4 2245 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|2,0,1]=4 2246 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|2,0,1]=4 2247 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|2,0,1]=4 2248 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|2,0,1]=4 2249 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|2,0,1]=4 2250 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 2251 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 2252 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|1,0,2]=4 2253 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|1,0,1]=3 2255 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,1]=3 2257 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,1]=3 2258 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|2,0,1]=4 2259 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 2260 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 2261 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,1,0,0,0,0|0,0,2]=3 2262 B9R0.47 C#CCCNC(=O)C(=C)Br 11a_100000755551_100009813364 [0,1,0,0,0,0|1,0,2]=4 2263 B9R0.47 C#CCCNC(=O)C(=C)Br 1626a_100000755551_100009813364 [0,1,0,0,0,0|1,0,2]=4 2264 B9R0.47 C#CCCNC(=O)C(=C)C 11a_100000755551_100000185857 [0,1,0,0,0,0|1,0,2]=4 2265 B9R0.47 C#CCCNC(=O)C(=C)C 1626a_100000755551_100000185857 [0,1,0,0,0,0|1,0,2]=4 2266 B9R0.47 C#CCCNC(=O)C(=C)Cl 11a_100000755551_100000039160 [0,1,0,0,0,0|1,0,2]=4 2267 B9R0.47 C#CCCNC(=O)C(=C)Cl 1626a_100000755551_100000039160 [0,1,0,0,0,0|1,0,2]=4 2268 B9R0.47 C#CCCNC(=O)C(=C)F 11a_100000755551_100000036797 [0,1,0,0,0,0|1,0,2]=4 2269 B9R0.47 C#CCCNC(=O)C(=C)F 1626a_100000755551_100000036797 [0,1,0,0,0,0|1,0,2]=4 2270 B9R0.47 C=C(Br)C(=O)NCC#CC 11a_100000685387_100009813364 [0,1,0,0,0,0|1,0,2]=4 2271 B9R0.47 C=C(Br)C(=O)NCC#CC 1626a_100000685387_100009813364 [0,1,0,0,0,0|1,0,2]=4 2272 B9R0.47 C=C(Br)C(=O)NCCC#N 11a_100000720768_100009813364 [0,1,0,0,0,0|2,0,1]=4 2273 B9R0.47 C=C(Br)C(=O)NCCC#N 1626a_100000720768_100009813364 [0,1,0,0,0,0|2,0,1]=4 2274 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|1,0,0]=2 2275 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|1,0,0]=2 2276 B9R0.47 C=C(Br)C(=O)NCCCF 11a_100015189416_100009813364 [0,1,0,0,0,0|2,0,0]=3 2277 B9R0.47 C=C(Br)C(=O)NCCCF 1626a_100015189416_100009813364 [0,1,0,0,0,0|2,0,0]=3 2278 B9R0.47 C=C(Br)C(=O)NCCOC 1626a_100000209980_100009813364 [0,1,0,0,0,0|2,0,0]=3 2279 B9R0.47 C=C(Br)C(=O)NCCSC 11a_100020590264_100009813364 [0,1,0,0,0,0|2,0,0]=3 2280 B9R0.47 C=C(Br)C(=O)NCCSC 1626a_100020590264_100009813364 [0,1,0,0,0,0|2,0,0]=3 2281 B9R0.47 C=C(C)C(=NNCCC)C 4a_100000740057_100011216138 [0,1,0,0,0,0|3,0,0]=4 2282 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,1,0,0,0,0|0,0,2]=3 2283 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,1,0,0,0,0|0,0,2]=3 2284 B9R0.47 C=C(C)C(=O)CC#CCO 1458a_100000185857_200000047223 [0,1,0,0,0,0|1,0,2]=4 2285 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,1,0,0,0,0|1,0,1]=3 2286 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|0,0,0]=1 2287 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|1,0,0]=2 2288 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|1,0,0]=2 2289 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|1,0,0]=2 2290 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|1,0,0]=2 2291 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|1,0,0]=2 2292 B9R0.47 C=C(C)C(=O)NCC#CC 11a_100000685387_100000185857 [0,1,0,0,0,0|1,0,2]=4 2293 B9R0.47 C=C(C)C(=O)NCC#CC 1626a_100000685387_100000185857 [0,1,0,0,0,0|1,0,2]=4 2294 B9R0.47 C=C(C)C(=O)NCCC#N 11a_100000720768_100000185857 [0,1,0,0,0,0|2,0,1]=4 2295 B9R0.47 C=C(C)C(=O)NCCC#N 1626a_100000720768_100000185857 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|1,0,0]=2 2297 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|1,0,0]=2 2298 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|2,0,0]=3 2299 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|2,0,0]=3 2300 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|2,0,0]=3 2301 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|2,0,0]=3 2302 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|2,0,0]=3 2303 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 2304 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 2305 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|2,0,0]=3 2306 B9R0.47 C=C(C)C(=O)NNCCO 22a_100000210001_100000185857 [0,1,0,0,0,0|3,0,0]=4 2307 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|2,0,0]=3 2308 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|2,0,0]=3 2309 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|2,0,0]=3 2310 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|2,0,0]=3 2311 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|2,0,0]=3 2312 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|2,0,0]=3 2313 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|2,0,0]=3 2314 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|2,0,0]=3 2315 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,1]=4 2316 B9R0.47 C=C(Cl)C(=O)NCC#CC 11a_100000685387_100000039160 [0,1,0,0,0,0|1,0,2]=4 2317 B9R0.47 C=C(Cl)C(=O)NCC#CC 1626a_100000685387_100000039160 [0,1,0,0,0,0|1,0,2]=4 2318 B9R0.47 C=C(Cl)C(=O)NCCC#N 11a_100000720768_100000039160 [0,1,0,0,0,0|2,0,1]=4 2319 B9R0.47 C=C(Cl)C(=O)NCCC#N 1626a_100000720768_100000039160 [0,1,0,0,0,0|2,0,1]=4 2320 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|1,0,0]=2 2321 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|1,0,0]=2 2322 B9R0.47 C=C(Cl)C(=O)NCCCF 11a_100015189416_100000039160 [0,1,0,0,0,0|2,0,0]=3 2323 B9R0.47 C=C(Cl)C(=O)NCCCF 1626a_100015189416_100000039160 [0,1,0,0,0,0|2,0,0]=3 2324 B9R0.47 C=C(Cl)C(=O)NCCOC 1626a_100000209980_100000039160 [0,1,0,0,0,0|2,0,0]=3 2325 B9R0.47 C=C(Cl)C(=O)NCCSC 11a_100020590264_100000039160 [0,1,0,0,0,0|2,0,0]=3 2326 B9R0.47 C=C(Cl)C(=O)NCCSC 1626a_100020590264_100000039160 [0,1,0,0,0,0|2,0,0]=3 2327 B9R0.47 C=C(Cl)C(=O)NNCCC 22a_100000740057_100000039160 [0,1,0,0,0,0|2,0,0]=3 2328 B9R0.47 C=C(Cl)C(=O)NNCCO 22a_100000210001_100000039160 [0,1,0,0,0,0|3,0,0]=4 2329 B9R0.47 C=C(F)C(=O)NCC#CC 11a_100000685387_100000036797 [0,1,0,0,0,0|1,0,2]=4 2330 B9R0.47 C=C(F)C(=O)NCC#CC 1626a_100000685387_100000036797 [0,1,0,0,0,0|1,0,2]=4 2331 B9R0.47 C=C(F)C(=O)NCCC#N 11a_100000720768_100000036797 [0,1,0,0,0,0|2,0,1]=4 2332 B9R0.47 C=C(F)C(=O)NCCC#N 1626a_100000720768_100000036797 [0,1,0,0,0,0|2,0,1]=4 2333 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|1,0,0]=2 2334 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|1,0,0]=2 2335 B9R0.47 C=C(F)C(=O)NCCCF 11a_100015189416_100000036797 [0,1,0,0,0,0|2,0,0]=3 2336 B9R0.47 C=C(F)C(=O)NCCCF 1626a_100015189416_100000036797 [0,1,0,0,0,0|2,0,0]=3 2337 B9R0.47 C=C(F)C(=O)NCCOC 1626a_100000209980_100000036797 [0,1,0,0,0,0|2,0,0]=3 2338 B9R0.47 C=C(F)C(=O)NCCSC 11a_100020590264_100000036797 [0,1,0,0,0,0|2,0,0]=3 2339 B9R0.47 C=C(F)C(=O)NCCSC 1626a_100020590264_100000036797 [0,1,0,0,0,0|2,0,0]=3 2340 B9R0.47 C=C(F)C(=O)NNCCC 22a_100000740057_100000036797 [0,1,0,0,0,0|2,0,0]=3 2341 B9R0.47 C=C(F)C(=O)NNCCO 22a_100000210001_100000036797 [0,1,0,0,0,0|3,0,0]=4 2342 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|0,0,2]=3 2343 B9R0.47 C=CCCNC(=O)C(=C)Br 11a_100015191253_100009813364 [0,1,0,0,0,0|1,0,2]=4 2344 B9R0.47 C=CCCNC(=O)C(=C)Br 1626a_100015191253_100009813364 [0,1,0,0,0,0|1,0,2]=4 2345 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [0,1,0,0,0,0|1,0,2]=4 2346 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [0,1,0,0,0,0|1,0,2]=4 2347 B9R0.47 C=CCCNC(=O)C(=C)Cl 11a_100015191253_100000039160 [0,1,0,0,0,0|1,0,2]=4 2348 B9R0.47 C=CCCNC(=O)C(=C)Cl 1626a_100015191253_100000039160 [0,1,0,0,0,0|1,0,2]=4 2349 B9R0.47 C=CCCNC(=O)C(=C)F 11a_100015191253_100000036797 [0,1,0,0,0,0|1,0,2]=4 2350 B9R0.47 C=CCCNC(=O)C(=C)F 1626a_100015191253_100000036797 [0,1,0,0,0,0|1,0,2]=4 2351 B9R0.47 C=COCCC(=O)C(=C)C 1458a_100000185857_100000039644 [0,1,0,0,0,0|1,0,2]=4 2352 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|2,0,1]=4 2353 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|2,0,1]=4 2354 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 2355 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|2,0,1]=4 2356 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|2,0,1]=4 2357 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|2,0,1]=4 2358 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 2359 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|2,0,1]=4 2360 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|1,0,2]=4 2361 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|1,0,2]=4 2362 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|1,0,2]=4 2363 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|1,0,2]=4 2364 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|1,0,2]=4 2365 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|0,0,2]=3 2366 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|0,0,2]=3 2367 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|0,0,2]=3 2368 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|1,0,1]=3 2369 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|1,0,1]=3 2370 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|1,0,1]=3 2371 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|1,0,1]=3 2372 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|1,0,1]=3 2373 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|0,0,2]=3 2374 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|0,0,2]=3 2375 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,2]=4 2376 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,2]=4 2377 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,2]=4 2378 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 2379 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 2380 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 2381 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,1]=4 2382 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,0]=3 2383 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 2384 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 2385 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 2386 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 2387 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 2388 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 2389 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 2390 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 2391 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 2392 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 2393 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 2394 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 2395 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|2,0,1]=4 2396 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|2,0,1]=4 2397 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|1,0,2]=4 2398 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|1,0,2]=4 2399 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|1,0,2]=4 2400 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|2,0,1]=4 2401 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,1,0,0,0,0|3,0,0]=4 2402 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|1,0,1]=3 2403 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|1,0,2]=4 2404 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|1,0,2]=4 2405 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 2406 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 2407 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 2408 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,1,0,0,0,0|2,0,1]=4 2409 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,1,0,0,0,0|2,0,1]=4 2410 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|1,0,1]=3 2411 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|1,0,1]=3 2412 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|1,0,2]=4 2413 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|1,0,2]=4 2414 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|1,0,2]=4 2415 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 2416 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 2417 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 2418 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,1,0,0,0,0|2,0,1]=4 2419 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,1,0,0,0,0|2,0,1]=4 2420 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,1,0,0,0,0|2,0,1]=4 2421 B9R0.47 CCNCCC(=C(F)F)F 2230a_100015525214_100000036642 [0,1,0,0,0,0|3,0,0]=4 2422 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,1,0,0,0,0|2,0,1]=4 2423 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,1,0,0,0,0|2,0,1]=4 2424 B9R0.47 CCOCCC(=C(F)F)F 34a_100000068906_100000210202 [0,1,0,0,0,0|3,0,0]=4 2425 B9R0.47 CCOCCC(=C(F)F)F 34a_100121572206_100009813398 [0,1,0,0,0,0|3,0,0]=4 2426 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|1,0,2]=4 2427 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|1,0,2]=4 2428 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|1,0,2]=4 2429 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|2,0,1]=4 2430 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,1,0,0,0,0|2,0,1]=4 2431 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,1,0,0,0,0|2,0,1]=4 2432 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,1,0,0,0,0|2,0,1]=4 2433 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,1,0,0,0,0|2,0,1]=4 2434 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,1,0,0,0,0|2,0,1]=4 2435 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|1,0,2]=4 2436 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|1,0,2]=4 2437 B9R0.47 CCSCCC(=C(F)F)F 62a_100000210202_100009813398 [0,1,0,0,0,0|3,0,0]=4 2438 B9R0.47 CCSCCC(=C(F)F)F 62a_100009813398_100000210202 [0,1,0,0,0,0|3,0,0]=4 2439 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|1,0,2]=4 2440 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|1,0,2]=4 2441 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|1,0,2]=4 2442 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|2,0,1]=4 2443 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,1,0,0,0,0|2,0,1]=4 2444 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,1,0,0,0,0|2,0,1]=4 2445 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,1,0,0,0,0|2,0,1]=4 2446 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,1,0,0,0,0|2,0,1]=4 2447 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,1,0,0,0,0|2,0,1]=4 2448 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,1,0,0,0,0|2,0,1]=4 2449 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|1,0,2]=4 2450 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|1,0,2]=4 2451 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,1,0,0,0,0|2,0,1]=4 2452 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,1,0,0,0,0|2,0,1]=4 2453 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|2,0,1]=4 2454 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|2,0,1]=4 2455 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,1,0,0,0,0|2,0,1]=4 2456 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,1,0,0,0,0|2,0,1]=4 2457 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,1,0,0,0,0|2,0,1]=4 2458 B9R0.47 COCCCC(=C(F)F)F 34a_100000036257_200000210301 [0,1,0,0,0,0|3,0,0]=4 2459 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|1,0,2]=4 2460 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|1,0,2]=4 2461 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|1,0,2]=4 2462 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|2,0,1]=4 2463 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,1,0,0,0,0|2,0,1]=4 2464 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,1,0,0,0,0|2,0,1]=4 2465 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,1,0,0,0,0|2,0,1]=4 2466 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,1,0,0,0,0|2,0,1]=4 2467 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,0,2]=4 2468 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,0,2]=4 2469 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,1,0,0,0,0|3,0,0]=4 2470 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|2,0,1]=4 2472 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|1,0,2]=4 2473 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|2,0,1]=4 2474 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|2,0,1]=4 2475 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|2,0,1]=4 2476 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|2,0,1]=4 2477 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|2,0,1]=4 2478 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|2,0,1]=4 2479 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,1,0,0,0,0|3,0,0]=4 2480 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|2,0,1]=4 2481 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|2,0,1]=4 2482 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|1,0,2]=4 2483 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|1,0,2]=4 2484 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|1,0,2]=4 2485 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|1,0,2]=4 2486 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,1,0,0,0,0|3,0,0]=4 2487 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,1,0,0,0,0|3,0,0]=4 2488 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|2,0,1]=4 2489 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|2,0,1]=4 2490 B9R0.47 [13CH3]OCCCC(=C(F)F)F 34a_100000036257_200025704644 [0,1,0,0,0,0|3,0,0]=4 2491 B9R0.50 C=CC(=NNCCC)CC 4a_100000740057_100000747743 [0,1,0,0,0,0|3,0,0]=4 2492 B9R0.50 C=CC(C=C)OCCCC 34a_100000033096_100000210210 [0,1,0,0,0,0|2,0,1]=4 2493 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,1,0,0,0,0|2,0,1]=4 2494 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,1,0,0,0,0|2,0,1]=4 2495 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,1,0,0,0,0|0,0,2]=3 2496 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,1,0,0,0,0|0,0,2]=3 2497 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,1,0,0,0,0|0,0,2]=3 2498 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,1,0,0,0,0|0,0,2]=3 2499 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [0,1,0,0,0,0|1,0,2]=4 2500 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|1,0,2]=4 2501 B9R0.50 CCCCNC(C=O)C=O 2230a_100000102301_100000736813 [0,1,0,0,0,0|2,0,1]=4 2502 B9R0.50 CCCCOC(C=O)C=O 34a_100000210227_100000736813 [0,1,0,0,0,0|2,0,1]=4 2503 B9R0.50 CCCCSC(C=O)C=O 62a_100000210211_100000736813 [0,1,0,0,0,0|2,0,1]=4 2504 B9R0.50 CCCCSC(C=O)C=O 62a_100000736813_100000210210 [0,1,0,0,0,0|2,0,1]=4 2505 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,0,0,1,0,0|2,0,1]=4 2506 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,0,0,1,0,0|2,0,1]=4 2507 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,0,0,1,0,0|2,0,1]=4 2508 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,0,1,0,0|2,0,1]=4 2509 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,0,1,0,0|2,0,1]=4 2510 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,0|1,0,2]=4 2511 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,0|1,0,2]=4 2512 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,1,0,0|2,0,1]=4 2513 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,0,1,0,0|2,0,1]=4 2514 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,0,1,0,0|2,0,1]=4 2515 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,0|1,0,2]=4 2516 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,0|1,0,2]=4 2517 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,1,0,0|2,0,1]=4 2518 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|2,0,1]=4 2519 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,0,0,1,0,0|1,0,2]=4 2520 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [0,0,0,1,0,0|2,0,1]=4 2521 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|2,0,1]=4 2522 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|1,0,2]=4 2523 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|2,0,1]=4 2524 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,1]=4 2525 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,1]=4 2526 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|2,0,1]=4 2527 B9R1.7 COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200000210301 [0,0,0,1,0,0|2,0,1]=4 2528 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,1]=4 2529 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,1]=4 2530 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|2,0,1]=4 2531 B9R1.7 [13CH3]OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200025704644 [0,0,0,1,0,0|2,0,1]=4 2532 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,0,0,1,0,0|0,0,2]=3 2533 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,0,0,1,0,0|1,0,2]=4 2534 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,0,0,1,0,0|0,0,0]=1 2535 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,0,0,1,0,0|1,0,0]=2 2536 B9R1.11 C=CC(=O)N1CC=CC1 1626a_100015195280_100000185746 [0,0,0,1,0,0|1,0,2]=4 2537 B9R1.11 C=CC(=O)N1CC=CC1 240690a_100015195280_200121576911 [0,0,0,1,0,0|1,0,2]=4 2538 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,0,0,1,0,0|1,0,0]=2 2539 B9R1.11 C=CC(=O)N1CCSC1 240690a_100011215254_200121576911 [0,0,0,1,0,0|2,0,0]=3 2540 B9R1.11 C=CC(C)N1CCCC1 269982a_100000188435_100011215867 [0,0,0,1,0,0|2,0,1]=4 2541 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,1,0,0|0,0,2]=3 2542 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,1,0,0|0,0,2]=3 2543 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,1,0,0|1,0,2]=4 2544 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,1,0,0|1,0,2]=4 2545 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,1,0,0|1,0,2]=4 2546 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,1,0,0|1,0,2]=4 2547 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,1,0,0|1,0,2]=4 2548 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,1,0,0|1,0,2]=4 2549 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,1,0,0|1,0,1]=3 2550 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,1,0,0|1,0,1]=3 2551 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,1,0,0|1,0,1]=3 2552 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,1,0,0|1,0,1]=3 2553 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,1,0,0|2,0,1]=4 2554 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,1,0,0|2,0,1]=4 2555 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,1,0,0|2,0,1]=4 2556 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,1,0,0|2,0,1]=4 2557 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,0,0,1,0,0|2,0,1]=4 2558 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,0,0,1,0,0|2,0,1]=4 2559 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,0,0,1,0,0|2,0,1]=4 2560 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,0,0,1,0,0|2,0,1]=4 2561 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,0,0,1,0,0|2,0,1]=4 2562 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,0,0,1,0,0|2,0,1]=4 2563 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,1,0,0|2,0,1]=4 2564 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,1,0,0|2,0,1]=4 2565 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,1,0,0|2,0,1]=4 2566 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,1,0,0|2,0,1]=4 2567 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,1,0,0|1,0,1]=3 2568 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,0,0,1,0,0|2,0,1]=4 2569 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,0,0,1,0,0|2,0,1]=4 2570 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,0,0,1,0,0|2,0,1]=4 2571 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,1,0,0|1,0,1]=3 2572 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,0,0,1,0,0|2,0,1]=4 2573 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,0,0,1,0,0|2,0,1]=4 2574 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,0,0,1,0,0|2,0,1]=4 2575 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|1,0,2]=4 2576 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|1,0,2]=4 2577 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|1,0,2]=4 2578 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 2579 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 2580 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,0,2]=4 2581 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,0,2]=4 2582 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,0,2]=4 2583 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,0,2]=4 2584 B9R1.78 C=CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_200121576911 [0,0,0,1,0,0|2,0,0]=3 2585 B9R1.78 C=CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000185746 [0,0,0,1,0,0|2,0,0]=3 2586 B9R1.78 C=CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_200121576911 [0,0,0,1,0,0|2,0,0]=3 2587 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,0,0,1,0,0|0,0,2]=3 2588 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,0,0,1,0,0|1,0,2]=4 2589 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,0,0,1,0,0|1,0,2]=4 2590 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,0,1,0,0|0,0,0]=1 2591 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,0,0,1,0,0|1,0,0]=2 2592 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,0,0,1,0,0|1,0,0]=2 2593 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,0,0,1,0,0|1,0,0]=2 2594 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,0,0,1,0,0|1,0,0]=2 2595 B9R1.79 C=CC(=O)NC1COC1 1626a_100016991112_100000185746 [0,0,0,1,0,0|2,0,0]=3 2596 B9R1.79 C=CC(=O)NC1COC1 240690a_100016991112_200121576911 [0,0,0,1,0,0|2,0,0]=3 2597 B9R1.79 C=CC(=O)NC1CSC1 1626a_100016994217_100000185746 [0,0,0,1,0,0|2,0,0]=3 2598 B9R1.79 C=CC(=O)NC1CSC1 240690a_100016994217_200121576911 [0,0,0,1,0,0|2,0,0]=3 2599 B9R1.79 C=CC(C)OC1CCC1 34a_100000695699_100000749161 [0,0,0,1,0,0|2,0,1]=4 2600 B9R1.79 C=CC(C)SC1CCC1 62a_100011215867_100000749161 [0,0,0,1,0,0|2,0,1]=4 2601 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,0,1,0,0|0,0,2]=3 2602 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,0,1,0,0|0,0,2]=3 2603 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,0,1,0,0|1,0,2]=4 2604 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,0,1,0,0|1,0,2]=4 2605 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,0,1,0,0|1,0,2]=4 2606 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,0,1,0,0|1,0,2]=4 2607 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 2608 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 2609 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 2610 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 2611 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,0,1,0,0|1,0,1]=3 2612 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,0,1,0,0|1,0,1]=3 2613 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,0,1,0,0|1,0,1]=3 2614 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,0,1,0,0|1,0,1]=3 2615 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,0,0,1,0,0|2,0,1]=4 2616 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,0,0,1,0,0|2,0,1]=4 2617 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,0,0,1,0,0|2,0,1]=4 2618 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,0,0,1,0,0|2,0,1]=4 2619 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,0,0,1,0,0|2,0,1]=4 2620 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,0,0,1,0,0|2,0,1]=4 2621 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,0,0,1,0,0|2,0,1]=4 2622 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,0,0,1,0,0|2,0,1]=4 2623 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,0,0,1,0,0|2,0,1]=4 2624 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,0,1,0,0|1,0,1]=3 2625 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,0,0,1,0,0|2,0,1]=4 2626 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,0,1,0,0|1,0,1]=3 2627 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,0,0,1,0,0|2,0,1]=4 2628 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,0,0,1,0,0|2,0,1]=4 2629 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,0,0,1,0,0|2,0,1]=4 2630 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,0,0,1,0,0|2,0,1]=4 2631 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,0,0,1,0,0|0,0,2]=3 2632 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,0,0,1,0,0|1,0,2]=4 2633 B9R1.80 C=CC(=NNC1CC1)C 4a_100000701032_200015361842 [0,0,0,1,0,0|3,0,0]=4 2634 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,0,0,1,0,0|0,0,0]=1 2635 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,0,0,1,0,0|1,0,0]=2 2636 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,0,0,1,0,0|1,0,0]=2 2637 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,0,0,1,0,0|1,0,0]=2 2638 B9R1.80 C=CC(=O)NNC1CC1 22a_100000701032_100000185746 [0,0,0,1,0,0|2,0,0]=3 2639 B9R1.80 C=CC(C)COC1CC1 34a_100011215527_100000211595 [0,0,0,1,0,0|2,0,1]=4 2640 B9R1.80 C=CC(C)OCC1CC1 34a_100000695699_100000742324 [0,0,0,1,0,0|2,0,1]=4 2641 B9R1.80 C=CC(C)SCC1CC1 62a_100011215867_100000742324 [0,0,0,1,0,0|2,0,1]=4 2642 B9R1.80 C=CC(O)CNC1CC1 34a_100000212008_100000730141 [0,0,0,1,0,0|1,0,2]=4 2643 B9R1.80 C=CC(O)CSC1CC1 62a_100000730141_100000211595 [0,0,0,1,0,0|1,0,2]=4 2644 B9R1.80 C=C[C@H](N)COC1CC1 34a_100016989147_100000211595 [0,0,0,1,0,0|2,0,1]=4 2645 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,1,0,0|0,0,2]=3 2646 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,1,0,0|0,0,2]=3 2647 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,1,0,0|1,0,2]=4 2648 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,0,1,0,0|1,0,2]=4 2649 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,0,1,0,0|1,0,2]=4 2650 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 2651 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 2652 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 2653 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 2654 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,1,0,0|1,0,1]=3 2655 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,1,0,0|1,0,1]=3 2656 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,1,0,0|1,0,1]=3 2657 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,1,0,0|1,0,1]=3 2658 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,0,0,1,0,0|2,0,1]=4 2659 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,0,0,1,0,0|2,0,1]=4 2660 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,0,0,1,0,0|2,0,1]=4 2661 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,0,0,1,0,0|2,0,1]=4 2662 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,0,0,1,0,0|2,0,1]=4 2663 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,0,0,1,0,0|2,0,1]=4 2664 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,0,0,1,0,0|2,0,1]=4 2665 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,0,0,1,0,0|2,0,1]=4 2666 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,0,0,1,0,0|2,0,1]=4 2667 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,0,0,1,0,0|2,0,1]=4 2668 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,0,0,1,0,0|2,0,1]=4 2669 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,0,0,1,0,0|1,0,1]=3 2670 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,0,1,0,0|1,0,1]=3 2671 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,0,0,1,0,0|2,0,1]=4 2672 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,0,0,1,0,0|2,0,1]=4 2673 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,0,0,1,0,0|2,0,1]=4 2674 B9R1.81 C=CC(=O)C1CCC1=O 1458a_100000185746_100009892977 [0,0,0,1,0,0|1,0,1]=3 2675 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,0,0,1,0,0|1,0,0]=2 2676 B9R1.81 C=CC(C)N1CCC1C 269982a_100000755817_100011215867 [0,0,0,1,0,0|2,0,1]=4 2677 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,0,0,1,0,0|2,0,1]=4 2678 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,0,0,1,0,0|2,0,1]=4 2679 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,0,0,1,0,0|1,0,2]=4 2680 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,0,0,1,0,0|1,0,2]=4 2681 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,0,0,1,0,0|1,0,2]=4 2682 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,0,0,1,0,0|2,0,1]=4 2683 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,0,0,1,0,0|2,0,1]=4 2684 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,0,0,1,0,0|2,0,1]=4 2685 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,0,0,1,0,0|2,0,1]=4 2686 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,0,0,1,0,0|2,0,1]=4 2687 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,0,0,1,0,0|2,0,1]=4 2688 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,0,1,0,0|0,0,2]=3 2689 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,0,0,1,0,0|1,0,1]=3 2690 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,0,0,1,0,0|1,0,1]=3 2691 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,0,0,1,0,0|1,0,1]=3 2692 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,0,0,1,0,0|1,0,1]=3 2693 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,0,0,1,0,0|1,0,1]=3 2694 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,0,0,1,0,0|2,0,1]=4 2695 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,1]=4 2696 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,1]=4 2697 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 2698 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 2699 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,1]=4 2700 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,1]=4 2701 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 2702 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,0]=3 2703 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 2704 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,0]=3 2705 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,0]=3 2706 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 2707 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 2708 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,0]=3 2709 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,0]=3 2710 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,0]=3 2711 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,0]=3 2712 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,0]=3 2713 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,0]=3 2714 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,0]=3 2715 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,0]=3 2716 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,0]=3 2717 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,0]=3 2718 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,0]=3 2719 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,0]=3 2720 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,0]=3 2721 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [2,0,0,0,0,0|2,0,0]=4 2722 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,0]=3 2723 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,0]=3 2724 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [2,0,0,0,0,0|2,0,0]=4 2725 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [2,0,0,0,0,0|2,0,0]=4 2726 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,0]=3 2727 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [2,0,0,0,0,0|2,0,0]=4 2728 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [2,0,0,0,0,0|2,0,0]=4 2729 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [2,0,0,0,0,0|2,0,0]=4 2730 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [2,0,0,0,0,0|2,0,0]=4 2731 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [2,0,0,0,0,0|2,0,0]=4 2732 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [2,0,0,0,0,0|2,0,0]=4 2733 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [2,0,0,0,0,0|2,0,0]=4 2734 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [2,0,0,0,0,0|2,0,0]=4 2735 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,0]=3 2736 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,0]=3 2737 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [2,0,0,0,0,0|2,0,0]=4 2738 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [2,0,0,0,0,0|2,0,0]=4 2739 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [2,0,0,0,0,0|2,0,0]=4 2740 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [2,0,0,0,0,0|2,0,0]=4 2741 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,0]=3 2742 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,0]=3 2743 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [2,0,0,0,0,0|2,0,0]=4 2744 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [2,0,0,0,0,0|2,0,0]=4 2745 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [2,0,0,0,0,0|2,0,0]=4 2746 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [2,0,0,0,0,0|2,0,0]=4 2747 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [2,0,0,0,0,0|2,0,0]=4 2748 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [2,0,0,0,0,0|2,0,0]=4 2749 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [2,0,0,0,0,0|2,0,0]=4 2750 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [2,0,0,0,0,0|2,0,0]=4 2751 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 2752 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|2,0,0]=4 2753 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 2754 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|2,0,0]=4 2755 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|2,0,0]=4 2756 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|2,0,0]=4 2757 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|2,0,0]=4 2758 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|2,0,0]=4 2759 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|2,0,0]=4 2760 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|2,0,0]=4 2761 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 2762 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 2763 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2764 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,1]=4 2765 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 2766 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2767 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 2768 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2769 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 2770 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2771 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 2772 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2773 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2774 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2775 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 2776 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 2777 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 2778 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 2779 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 2780 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 2781 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 2782 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2783 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2784 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 2785 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 2786 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 2787 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 2788 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 2789 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 2790 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 2791 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 2792 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 2793 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 2794 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 2795 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 2796 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 2797 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 2798 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 2799 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 2800 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 2801 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 2802 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [2,0,0,0,0,0|0,0,2]=4 2803 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [2,0,0,0,0,0|1,0,1]=4 2804 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,0]=2 2805 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|1,0,0]=3 2806 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|1,0,0]=3 2807 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|1,0,0]=3 2808 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [2,0,0,0,0,0|2,0,0]=4 2809 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [2,0,0,0,0,0|0,0,2]=4 2810 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,2]=4 2811 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,2]=4 2812 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 2813 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,1]=4 2814 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,1]=4 2815 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 2816 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 2817 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 2818 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [2,0,0,0,0,0|2,0,0]=4 2819 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [2,0,0,0,0,0|2,0,0]=4 2820 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2821 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 2822 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2823 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 2824 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 2825 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 2826 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 2827 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 2828 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 2829 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 2830 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 2831 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 2832 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 2833 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 2834 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 2835 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [2,0,0,0,0,0|2,0,0]=4 2836 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [2,0,0,0,0,0|2,0,0]=4 2837 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [2,0,0,0,0,0|2,0,0]=4 2838 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [2,0,0,0,0,0|2,0,0]=4 2839 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [2,0,0,0,0,0|2,0,0]=4 2840 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 2841 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 2842 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 2843 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 2844 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,1]=4 2845 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,1]=4 2846 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,1]=3 2847 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,1]=3 2848 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,1]=3 2849 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 2850 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 2851 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 2852 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,1]=4 2853 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 2854 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 2855 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 2856 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 2857 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2858 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 2859 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 2860 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 2861 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,1]=4 2862 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 2863 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 2864 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,1]=4 2865 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 2866 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 2867 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 2868 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2869 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 2870 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2871 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 2872 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 2873 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 2874 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 2875 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2876 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 2877 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2878 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 2879 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,1]=4 2880 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,1]=4 2881 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,1]=4 2882 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,1]=4 2883 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 2884 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 2885 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,1]=4 2886 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2887 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2888 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 2889 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 2890 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|1,0,1]=4 2891 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|0,0,2]=4 2892 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [1,1,0,0,0,0|1,0,1]=4 2893 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,1,0,0,0,0|0,0,2]=4 2894 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,2]=4 2895 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,2]=4 2896 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|1,0,1]=4 2897 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|1,0,1]=4 2898 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|0,0,2]=4 2899 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|0,0,2]=4 2900 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|1,0,1]=4 2901 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|1,0,1]=4 2902 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|1,0,1]=4 2903 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [1,1,0,0,0,0|1,0,1]=4 2904 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [1,1,0,0,0,0|1,0,1]=4 2905 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [1,1,0,0,0,0|1,0,1]=4 2906 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [1,1,0,0,0,0|1,0,1]=4 2907 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [1,1,0,0,0,0|1,0,1]=4 2908 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [1,1,0,0,0,0|1,0,1]=4 2909 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [1,1,0,0,0,0|1,0,1]=4 2910 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [1,1,0,0,0,0|1,0,1]=4 2911 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [1,1,0,0,0,0|1,0,1]=4 2912 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [1,1,0,0,0,0|1,0,1]=4 2913 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [1,1,0,0,0,0|1,0,1]=4 2914 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [1,1,0,0,0,0|1,0,1]=4 2915 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [1,1,0,0,0,0|1,0,1]=4 2916 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [1,1,0,0,0,0|1,0,1]=4 2917 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [1,1,0,0,0,0|1,0,1]=4 2918 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [1,1,0,0,0,0|1,0,1]=4 2919 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 2920 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 2921 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|1,0,1]=4 2922 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,2]=4 2923 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|0,0,2]=4 2924 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|0,0,2]=4 2925 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [1,1,0,0,0,0|1,0,1]=4 2926 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,1,0,0,0,0|1,0,1]=4 2927 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,1,0,0,0,0|1,0,1]=4 2928 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,1,0,0,0,0|1,0,1]=4 2929 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2930 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,1]=3 2931 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,1,0,0,0,0|1,0,1]=4 2932 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|1,0,1]=4 2933 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|1,0,1]=4 2934 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|0,0,1]=3 2935 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,1,0,0,0,0|1,0,1]=4 2936 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,1,0,0,0,0|1,0,1]=4 2937 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 2938 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,1]=3 2939 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 2940 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,1,0,0,0,0|1,0,1]=4 2941 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,1,0,0,0,0|1,0,1]=4 2942 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,1,0,0,0,0|1,0,1]=4 2943 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|1,0,1]=4 2944 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|1,0,1]=4 2945 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|1,0,1]=4 2946 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|1,0,1]=4 2947 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 2948 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|1,0,1]=4 2949 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 2950 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|0,0,1]=3 2951 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|0,0,1]=3 2952 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,1,0,0,0,0|1,0,1]=4 2953 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,1,0,0,0,0|1,0,1]=4 2954 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|1,0,1]=4 2955 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|1,0,1]=4 2956 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|1,0,1]=4 2957 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|1,0,1]=4 2958 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|1,0,1]=4 2959 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|1,0,1]=4 2960 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|1,0,1]=4 2961 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|1,0,1]=4 2962 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|0,0,1]=3 2963 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|0,0,1]=3 2964 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|0,0,1]=3 2965 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|0,0,1]=3 2966 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|0,0,1]=3 2967 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|0,0,1]=3 2968 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|0,0,1]=3 2969 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|0,0,1]=3 2970 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|0,0,1]=3 2971 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|0,0,1]=3 2972 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|0,0,1]=3 2973 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|0,0,1]=3 2974 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|0,0,1]=3 2975 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|0,0,1]=3 2976 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|0,0,1]=3 2977 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,1,0,0,0,0|1,0,1]=4 2978 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 2979 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|0,0,1]=3 2980 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 2981 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 2982 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 2983 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|0,0,1]=3 2984 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|0,0,1]=3 2985 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,1,0,0,0,0|1,0,1]=4 2986 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,1,0,0,0,0|1,0,1]=4 2987 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|0,0,1]=3 2988 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|0,0,1]=3 2989 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 2990 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 2991 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,1,0,0,0,0|1,0,1]=4 2992 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 2993 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|1,0,1]=4 2994 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 2995 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|1,0,1]=4 2996 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,1,0,0,0,0|1,0,1]=4 2997 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 2998 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 2999 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,1,0,0,0,0|1,0,1]=4 3000 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,1]=3 3001 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 3002 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 3003 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,1,0,0,0,0|1,0,1]=4 3004 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,1,0,0,0,0|1,0,1]=4 3005 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,1,0,0,0,0|1,0,1]=4 3006 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|1,0,1]=4 3007 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|1,0,1]=4 3008 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,1,0,0,0,0|1,0,1]=4 3009 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|0,0,1]=3 3010 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|0,0,1]=3 3011 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,1,0,0,0,0|1,0,1]=4 3012 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,1,0,0,0,0|1,0,1]=4 3013 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|1,0,1]=4 3014 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|1,0,1]=4 3015 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,1,0,0,0,0|1,0,1]=4 3016 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,1,0,0,0,0|1,0,1]=4 3017 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,1,0,0,0,0|1,0,1]=4 3018 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,1,0,0,0,0|1,0,1]=4 3019 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|0,0,1]=3 3020 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|0,0,1]=3 3021 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|0,0,1]=3 3022 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,1,0,0,0,0|1,0,1]=4 3023 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,1,0,0,0,0|1,0,1]=4 3024 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,1,0,0,0,0|1,0,1]=4 3025 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,1,0,0,0,0|1,0,1]=4 3026 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,1,0,0,0,0|1,0,1]=4 3027 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,1,0,0,0,0|1,0,1]=4 3028 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,1,0,0,0,0|1,0,1]=4 3029 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,1,0,0,0,0|1,0,1]=4 3030 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,1,0,0,0,0|1,0,1]=4 3031 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|0,0,1]=3 3032 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|0,0,1]=3 3033 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|0,0,1]=3 3034 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,1,0,0,0,0|1,0,1]=4 3035 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,1,0,0,0,0|1,0,1]=4 3036 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,1,0,0,0,0|1,0,1]=4 3037 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,1,0,0,0,0|1,0,1]=4 3038 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,1,0,0,0,0|1,0,1]=4 3039 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,1,0,0,0,0|1,0,1]=4 3040 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,1,0,0,0,0|1,0,1]=4 3041 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,1,0,0,0,0|1,0,1]=4 3042 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,1,0,0,0,0|1,0,1]=4 3043 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,1,0,0,0,0|1,0,1]=4 3044 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|0,0,1]=3 3045 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|0,0,1]=3 3046 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,1,0,0,0,0|1,0,1]=4 3047 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,1,0,0,0,0|1,0,1]=4 3048 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,1,0,0,0,0|1,0,1]=4 3049 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,1,0,0,0,0|1,0,1]=4 3050 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,1,0,0,0,0|1,0,1]=4 3051 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,1,0,0,0,0|1,0,1]=4 3052 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,1,0,0,0,0|1,0,1]=4 3053 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,1,0,0,0,0|1,0,1]=4 3054 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,1,0,0,0,0|1,0,1]=4 3055 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,1,0,0,0,0|1,0,1]=4 3056 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|0,0,1]=3 3057 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|0,0,1]=3 3058 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,1,0,0,0,0|1,0,1]=4 3059 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,1,0,0,0,0|1,0,1]=4 3060 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,1,0,0,0,0|1,0,1]=4 3061 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,1,0,0,0,0|1,0,1]=4 3062 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,1,0,0,0,0|1,0,1]=4 3063 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,1,0,0,0,0|1,0,1]=4 3064 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,1,0,0,0,0|1,0,1]=4 3065 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,1,0,0,0,0|1,0,1]=4 3066 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,1,0,0,0,0|1,0,1]=4 3067 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,1,0,0,0,0|1,0,1]=4 3068 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,1,0,0,0,0|1,0,1]=4 3069 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,1,0,0,0,0|1,0,1]=4 3070 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,1,0,0,0,0|1,0,1]=4 3071 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|0,0,1]=3 3072 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|0,0,1]=3 3073 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|0,0,1]=3 3074 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,1,0,0,0,0|1,0,1]=4 3075 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,1,0,0,0,0|1,0,1]=4 3076 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,1,0,0,0,0|1,0,1]=4 3077 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,1,0,0,0,0|1,0,1]=4 3078 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,1,0,0,0,0|1,0,1]=4 3079 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,1,0,0,0,0|1,0,1]=4 3080 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,1,0,0,0,0|1,0,1]=4 3081 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,1,0,0,0,0|1,0,1]=4 3082 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,1,0,0,0,0|1,0,1]=4 3083 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,1,0,0,0,0|1,0,1]=4 3084 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,1,0,0,0,0|1,0,1]=4 3085 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,1,0,0,0,0|1,0,1]=4 3086 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,1,0,0,0,0|1,0,1]=4 3087 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,1,0,0,0,0|1,0,1]=4 3088 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,1,0,0,0,0|1,0,1]=4 3089 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,1,0,0,0,0|1,0,1]=4 3090 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,1,0,0,0,0|1,0,1]=4 3091 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,1,0,0,0,0|1,0,1]=4 3092 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,1,0,0,0,0|1,0,1]=4 3093 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,1,0,0,0,0|1,0,1]=4 3094 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,1,0,0,0,0|1,0,1]=4 3095 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|0,0,1]=3 3096 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|0,0,1]=3 3097 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,1,0,0,0,0|1,0,1]=4 3098 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,1,0,0,0,0|1,0,1]=4 3099 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,1,0,0,0,0|1,0,1]=4 3100 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,1,0,0,0,0|1,0,1]=4 3101 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,1,0,0,0,0|1,0,1]=4 3102 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,1,0,0,0,0|1,0,1]=4 3103 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,1,0,0,0,0|1,0,1]=4 3104 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,1,0,0,0,0|1,0,1]=4 3105 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,1,0,0,0,0|1,0,1]=4 3106 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,1,0,0,0,0|1,0,1]=4 3107 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,1,0,0,0,0|1,0,0]=3 3108 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,1,0,0,0,0|1,0,0]=3 3109 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,1,0,0,0,0|1,0,0]=3 3110 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,1,0,0,0,0|1,0,0]=3 3111 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,1,0,0,0,0|1,0,0]=3 3112 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,1,0,0,0,0|1,0,0]=3 3113 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [1,1,0,0,0,0|2,0,0]=4 3114 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [1,1,0,0,0,0|2,0,0]=4 3115 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [1,1,0,0,0,0|2,0,0]=4 3116 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [1,1,0,0,0,0|2,0,0]=4 3117 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [1,1,0,0,0,0|2,0,0]=4 3118 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,1,0,0,0,0|1,0,0]=3 3119 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,1,0,0,0,0|1,0,0]=3 3120 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [1,1,0,0,0,0|2,0,0]=4 3121 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [1,1,0,0,0,0|2,0,0]=4 3122 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [1,1,0,0,0,0|2,0,0]=4 3123 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [1,1,0,0,0,0|2,0,0]=4 3124 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,1,0,0,0,0|1,0,0]=3 3125 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,1,0,0,0,0|1,0,0]=3 3126 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [1,1,0,0,0,0|2,0,0]=4 3127 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [1,1,0,0,0,0|2,0,0]=4 3128 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [1,1,0,0,0,0|2,0,0]=4 3129 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [1,1,0,0,0,0|2,0,0]=4 3130 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [1,1,0,0,0,0|2,0,0]=4 3131 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [1,1,0,0,0,0|2,0,0]=4 3132 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [1,1,0,0,0,0|2,0,0]=4 3133 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [1,1,0,0,0,0|2,0,0]=4 3134 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 3135 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 3137 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 3138 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|1,0,1]=4 3139 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 3140 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|1,0,1]=4 3141 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 3142 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|1,0,1]=4 3143 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|1,0,1]=4 3144 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|1,0,1]=4 3145 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|1,0,1]=4 3146 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|1,0,1]=4 3147 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|1,0,1]=4 3148 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,1,0,0,0,0|1,0,1]=4 3149 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,1]=3 3150 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,0,1]=4 3151 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|0,0,1]=3 3152 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|0,0,1]=3 3153 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 3154 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 3155 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|1,0,1]=4 3156 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|1,0,1]=4 3157 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,1,0,0,0,0|1,0,1]=4 3158 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 3159 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 3160 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,1,0,0,0,0|1,0,1]=4 3161 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,1,0,0,0,0|1,0,1]=4 3162 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|1,0,1]=4 3163 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|1,0,1]=4 3164 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 3165 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 3166 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|0,0,1]=3 3167 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|0,0,1]=3 3168 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,1,0,0,0,0|1,0,1]=4 3169 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,1,0,0,0,0|1,0,1]=4 3170 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|1,0,1]=4 3171 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|1,0,1]=4 3172 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|1,0,1]=4 3173 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|1,0,1]=4 3174 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|1,0,1]=4 3175 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|1,0,1]=4 3176 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|1,0,1]=4 3177 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|1,0,1]=4 3178 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,1]=4 3179 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|1,0,1]=4 3180 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|1,0,1]=4 3181 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|1,0,1]=4 3182 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|1,0,1]=4 3183 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|1,0,1]=4 3184 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|1,0,1]=4 3185 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|1,0,1]=4 3186 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|1,0,1]=4 3187 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|1,0,1]=4 3188 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|1,0,1]=4 3189 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|1,0,1]=4 3190 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|1,0,1]=4 3191 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|1,0,1]=4 3192 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|1,0,1]=4 3193 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|1,0,1]=4 3194 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|1,0,1]=4 3195 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,1]=4 3196 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|1,0,1]=4 3197 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,1,0,0,0,0|1,0,1]=4 3198 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|1,0,1]=4 3199 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,1]=4 3200 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,1]=4 3201 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|1,0,1]=4 3202 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|1,0,1]=4 3203 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|1,0,1]=4 3204 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|1,0,1]=4 3205 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|1,0,1]=4 3206 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,1]=4 3207 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,1]=4 3208 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|1,0,1]=4 3209 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|1,0,1]=4 3210 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|1,0,1]=4 3211 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|1,0,1]=4 3212 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|1,0,1]=4 3213 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [1,1,0,0,0,0|2,0,0]=4 3214 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,1]=4 3215 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,1]=4 3216 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,0,1]=4 3217 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,0,1]=4 3218 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,1]=4 3219 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,1]=4 3220 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3221 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 3222 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3223 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,1]=4 3224 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,1]=4 3225 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|1,0,1]=4 3226 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|1,0,1]=4 3227 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|1,0,1]=4 3228 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|1,0,1]=4 3230 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|1,0,1]=4 3231 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|1,0,1]=4 3232 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|0,0,2]=4 3233 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|0,0,2]=4 3234 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|0,0,2]=4 3235 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,1,0,0,0,0|1,0,1]=4 3236 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,1,0,0,0,0|1,0,1]=4 3237 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,1,0,0,0,0|1,0,1]=4 3238 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,1,0,0,0,0|1,0,1]=4 3239 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,1,0,0,0,0|1,0,1]=4 3240 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,1,0,0,0,0|1,0,1]=4 3241 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 3242 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|1,0,1]=4 3243 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 3244 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|1,0,1]=4 3245 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|1,0,1]=4 3246 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 3247 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 3248 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|1,0,1]=4 3249 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|1,0,1]=4 3250 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,1,0,0,0,0|1,0,1]=4 3251 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,1,0,0,0,0|1,0,1]=4 3252 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,1,0,0,0,0|1,0,1]=4 3253 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,1,0,0,0,0|1,0,1]=4 3254 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 3255 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|1,0,1]=4 3256 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 3257 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|1,0,1]=4 3258 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,1,0,0,0,0|1,0,1]=4 3259 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|1,0,1]=4 3260 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|1,0,1]=4 3261 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,1,0,0,0,0|1,0,1]=4 3262 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|1,0,1]=4 3263 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,1,0,0,0,0|1,0,1]=4 3264 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,1,0,0,0,0|1,0,1]=4 3265 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|1,0,1]=4 3266 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,1,0,0,0,0|1,0,1]=4 3267 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,1,0,0,0,0|1,0,1]=4 3268 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|1,0,1]=4 3269 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|1,0,1]=4 3270 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|1,0,1]=4 3271 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|1,0,1]=4 3272 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [1,1,0,0,0,0|1,0,1]=4 3273 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,1,0,0,0,0|1,0,1]=4 3274 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,1,0,0,0,0|1,0,1]=4 3275 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [1,1,0,0,0,0|1,0,1]=4 3276 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,1,0,0,0,0|1,0,1]=4 3277 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,1,0,0,0,0|1,0,1]=4 3278 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,1,0,0,0,0|1,0,1]=4 3279 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|1,0,1]=4 3280 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [1,1,0,0,0,0|1,0,1]=4 3281 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,1,0,0,0,0|1,0,1]=4 3282 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,1,0,0,0,0|1,0,1]=4 3283 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,1,0,0,0,0|1,0,1]=4 3284 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,1,0,0,0,0|1,0,1]=4 3285 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 3286 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 3287 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,1,0,0,0,0|2,0,0]=4 3288 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,1,0,0,0,0|2,0,0]=4 3289 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [1,1,0,0,0,0|2,0,0]=4 3290 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [1,1,0,0,0,0|2,0,0]=4 3291 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 3292 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 3293 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,1,0,0,0,0|1,0,1]=4 3294 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,1,0,0,0,0|1,0,1]=4 3295 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|1,0,1]=4 3296 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,1]=4 3297 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|1,0,1]=4 3298 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|1,0,1]=4 3299 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|1,0,1]=4 3300 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,1]=4 3301 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,1]=4 3302 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|1,0,1]=4 3303 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|1,0,1]=4 3304 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|1,0,1]=4 3305 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|1,0,1]=4 3306 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,2]=4 3307 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,2]=4 3308 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,2]=4 3309 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,2]=4 3310 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,2]=4 3311 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3312 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3313 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3314 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 3315 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|1,0,1]=4 3316 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|1,0,1]=4 3317 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|1,0,1]=4 3318 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|1,0,1]=4 3319 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|1,0,1]=4 3320 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|1,0,1]=4 3321 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [1,1,0,0,0,0|2,0,0]=4 3322 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|1,0,1]=4 3323 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [1,1,0,0,0,0|2,0,0]=4 3324 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|1,0,1]=4 3325 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|1,0,1]=4 3326 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [1,1,0,0,0,0|2,0,0]=4 3327 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [1,1,0,0,0,0|2,0,0]=4 3328 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|0,0,2]=4 3329 B8R0.3 C=CC(=O)C(C)CC#N 1458a_100000185746_100009813641 [1,1,0,0,0,0|1,0,1]=4 3330 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|0,0,0]=2 3331 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [1,1,0,0,0,0|1,0,0]=3 3332 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [1,1,0,0,0,0|1,0,0]=3 3333 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [1,1,0,0,0,0|1,0,0]=3 3334 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [1,1,0,0,0,0|1,0,0]=3 3335 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [1,1,0,0,0,0|2,0,0]=4 3336 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,2]=4 3337 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,2]=4 3338 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|1,0,1]=4 3339 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 3340 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,1]=4 3341 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 3342 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 3343 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 3344 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,2]=4 3345 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|1,0,1]=4 3346 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,1]=4 3347 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [1,1,0,0,0,0|0,0,2]=4 3348 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [1,1,0,0,0,0|1,0,0]=3 3349 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [1,1,0,0,0,0|1,0,0]=3 3350 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [1,1,0,0,0,0|2,0,0]=4 3351 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [1,1,0,0,0,0|2,0,0]=4 3352 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [1,1,0,0,0,0|0,0,2]=4 3353 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [1,1,0,0,0,0|0,0,2]=4 3354 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [1,1,0,0,0,0|0,0,2]=4 3355 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [1,1,0,0,0,0|1,0,1]=4 3356 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|0,0,0]=2 3357 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|1,0,0]=3 3358 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|1,0,0]=3 3359 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|1,0,0]=3 3360 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|1,0,0]=3 3361 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|1,0,0]=3 3362 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|1,0,0]=3 3363 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [1,1,0,0,0,0|2,0,0]=4 3364 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [1,1,0,0,0,0|2,0,0]=4 3365 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [1,1,0,0,0,0|2,0,0]=4 3366 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [1,1,0,0,0,0|1,0,0]=3 3367 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [1,1,0,0,0,0|1,0,0]=3 3368 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [1,1,0,0,0,0|2,0,0]=4 3369 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [1,1,0,0,0,0|2,0,0]=4 3370 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [1,1,0,0,0,0|1,0,0]=3 3372 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [1,1,0,0,0,0|1,0,0]=3 3373 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [1,1,0,0,0,0|2,0,0]=4 3374 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [1,1,0,0,0,0|2,0,0]=4 3375 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [1,1,0,0,0,0|2,0,0]=4 3376 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [1,1,0,0,0,0|0,0,2]=4 3377 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|0,0,2]=4 3378 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|0,0,2]=4 3379 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|0,0,2]=4 3380 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|1,0,1]=4 3381 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 3382 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 3383 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 3384 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 3385 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,2]=4 3386 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,2]=4 3387 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,1]=4 3388 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [1,1,0,0,0,0|2,0,0]=4 3389 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,1]=4 3390 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|1,0,1]=4 3391 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,1]=4 3392 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,1]=4 3393 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|0,0,2]=4 3394 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|0,0,2]=4 3395 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [1,1,0,0,0,0|0,0,2]=4 3396 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,1,0,0,0,0|0,0,1]=3 3397 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|0,0,0]=2 3398 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|0,0,0]=2 3399 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [1,1,0,0,0,0|1,0,1]=4 3400 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [1,1,0,0,0,0|1,0,1]=4 3401 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [1,1,0,0,0,0|1,0,1]=4 3402 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [1,1,0,0,0,0|1,0,1]=4 3403 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [1,1,0,0,0,0|1,0,0]=3 3404 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [1,1,0,0,0,0|1,0,0]=3 3405 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [1,1,0,0,0,0|1,0,0]=3 3406 B8R0.9 C=CC(=O)NCC(F)F 1626a_100000765723_100000185746 [1,1,0,0,0,0|2,0,0]=4 3407 B8R0.9 C=CC(=O)NCC(F)F 240690a_100000765723_200121576911 [1,1,0,0,0,0|2,0,0]=4 3408 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [1,1,0,0,0,0|2,0,0]=4 3409 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,1]=4 3410 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|1,0,1]=4 3411 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 3412 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,2]=4 3413 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,2]=4 3414 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,2]=4 3415 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,1]=4 3416 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 3417 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 3418 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 3419 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,1]=4 3420 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|0,0,2]=4 3421 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|0,0,2]=4 3422 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|0,0,2]=4 3423 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|0,0,2]=4 3424 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|0,0,2]=4 3425 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|0,0,2]=4 3426 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|0,0,2]=4 3427 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [1,1,0,0,0,0|0,0,1]=3 3428 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [1,1,0,0,0,0|1,0,1]=4 3429 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [1,1,0,0,0,0|1,0,1]=4 3430 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|0,0,0]=2 3431 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|0,0,0]=2 3432 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|0,0,0]=2 3433 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|1,0,0]=3 3434 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [1,1,0,0,0,0|1,0,0]=3 3435 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [1,1,0,0,0,0|1,0,0]=3 3436 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [1,1,0,0,0,0|2,0,0]=4 3437 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [1,1,0,0,0,0|2,0,0]=4 3438 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [1,1,0,0,0,0|2,0,0]=4 3439 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,2]=4 3440 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,2]=4 3441 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,2]=4 3442 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,2]=4 3443 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,2]=4 3444 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,1]=4 3445 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,1]=4 3446 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,1]=4 3447 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 3448 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 3449 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 3450 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,1]=4 3451 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 3452 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 3453 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 3454 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,1]=4 3455 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 3456 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 3457 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 3458 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 3459 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 3460 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|0,0,2]=4 3461 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|0,0,2]=4 3462 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [1,1,0,0,0,0|1,0,1]=4 3463 B8R0.5 C=C(F)CN(C)CCC 2230a_100000747261_100009893438 [1,1,0,0,0,0|2,0,0]=4 3464 B8R0.5 C=C(F)CN(C)CCC 269982a_100000747261_100009893438 [1,1,0,0,0,0|2,0,0]=4 3465 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,2]=4 3466 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 3467 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 3468 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|1,0,1]=4 3469 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,1]=3 3470 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,1]=3 3471 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,1]=3 3472 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 3473 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 3474 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 3475 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,1]=4 3476 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 3477 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 3478 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 3479 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|2,0,0]=4 3480 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|2,0,0]=4 3481 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,1]=4 3482 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,1]=4 3483 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,1]=4 3484 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,1]=4 3485 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3486 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3487 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [1,1,0,0,0,0|2,0,0]=4 3488 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 3489 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 3490 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,1,0,0,0,0|2,0,0]=4 3491 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,1,0,0,0,0|2,0,0]=4 3492 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,1,0,0,0,0|2,0,0]=4 3493 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,1,0,0,0,0|2,0,0]=4 3494 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 3495 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 3496 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 3497 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 3498 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [1,1,0,0,0,0|2,0,0]=4 3499 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,1,0,0,0,0|2,0,0]=4 3500 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,1,0,0,0,0|2,0,0]=4 3501 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [1,1,0,0,0,0|2,0,0]=4 3502 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [1,1,0,0,0,0|2,0,0]=4 3503 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [1,1,0,0,0,0|2,0,0]=4 3504 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [1,1,0,0,0,0|2,0,0]=4 3505 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [1,1,0,0,0,0|2,0,0]=4 3506 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,1,0,0,0,0|2,0,0]=4 3507 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,1,0,0,0,0|2,0,0]=4 3508 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [1,1,0,0,0,0|2,0,0]=4 3509 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [1,1,0,0,0,0|2,0,0]=4 3510 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [1,1,0,0,0,0|2,0,0]=4 3511 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [1,1,0,0,0,0|2,0,0]=4 3512 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [1,1,0,0,0,0|2,0,0]=4 3513 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [1,1,0,0,0,0|2,0,0]=4 3514 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [1,1,0,0,0,0|2,0,0]=4 3515 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [1,1,0,0,0,0|2,0,0]=4 3516 B8R0.28 C=C(F)COCC(C)Br 34a_100012180447_100009893438 [1,1,0,0,0,0|2,0,0]=4 3517 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [1,1,0,0,0,0|2,0,0]=4 3518 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [1,1,0,0,0,0|2,0,0]=4 3519 B8R0.28 C=C(F)COCC(C)F 34a_100015925927_100009893438 [1,1,0,0,0,0|2,0,0]=4 3520 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [1,1,0,0,0,0|2,0,0]=4 3521 B8R0.28 C=C(F)COC[C@@H](C)Cl 34a_100016084084_100009893438 [1,1,0,0,0,0|2,0,0]=4 3522 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [1,1,0,0,0,0|2,0,0]=4 3523 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [1,1,0,0,0,0|2,0,0]=4 3524 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [1,1,0,0,0,0|2,0,0]=4 3525 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [1,1,0,0,0,0|2,0,0]=4 3526 B8R0.28 C=C(F)CSCC(C)O 62a_100000042424_100011218427 [1,1,0,0,0,0|2,0,0]=4 3527 B8R0.28 C=C(F)CSCC(C)O 62a_100011218427_100000042424 [1,1,0,0,0,0|2,0,0]=4 3528 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100000042424_100009817552 [1,1,0,0,0,0|2,0,0]=4 3529 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100009817552_100000042424 [1,1,0,0,0,0|2,0,0]=4 3530 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|0,0,2]=4 3531 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 3532 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,1]=3 3533 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,1]=3 3534 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,1]=3 3535 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,1]=4 3536 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,1]=4 3537 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|1,0,1]=4 3538 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 3539 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 3540 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|1,0,1]=4 3541 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|1,0,1]=4 3542 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|1,0,1]=4 3543 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|1,0,1]=4 3544 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|1,0,1]=4 3545 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,1]=4 3546 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,1]=4 3547 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 3548 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 3549 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 3550 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,1]=4 3551 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,1]=4 3552 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,1]=4 3553 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 3554 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|2,0,0]=4 3555 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,1]=3 3556 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 3557 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 3558 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 3559 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|2,0,0]=4 3560 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|2,0,0]=4 3561 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 3562 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|1,0,1]=4 3563 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|2,0,0]=4 3564 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 3565 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 3566 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|2,0,0]=4 3567 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|2,0,0]=4 3568 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 3569 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 3570 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 3571 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 3572 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 3573 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 3574 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 3575 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 3576 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|2,0,0]=4 3577 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 3578 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 3579 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 3580 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|2,0,0]=4 3581 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|2,0,0]=4 3582 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 3583 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 3584 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|2,0,0]=4 3585 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|2,0,0]=4 3586 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 3587 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|2,0,0]=4 3588 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|2,0,0]=4 3589 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 3590 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|2,0,0]=4 3591 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 3592 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|2,0,0]=4 3593 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 3594 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|2,0,0]=4 3595 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 3596 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 3597 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|2,0,0]=4 3598 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|2,0,0]=4 3599 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,2,0,0,0,0|0,0,2]=4 3600 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,2,0,0,0,0|0,0,2]=4 3601 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,2,0,0,0,0|0,0,2]=4 3602 B10R0.3 C=CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210623 [0,2,0,0,0,0|0,0,2]=4 3603 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,2,0,0,0,0|0,0,2]=4 3604 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,2,0,0,0,0|0,0,1]=3 3605 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [0,2,0,0,0,0|1,0,1]=4 3606 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|0,0,0]=2 3607 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|0,0,0]=2 3608 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|0,0,0]=2 3609 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,2,0,0,0,0|1,0,0]=3 3610 B10R0.3 C=CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210623 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,2,0,0,0,0|1,0,1]=4 3612 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,2,0,0,0,0|1,0,1]=4 3613 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,2,0,0,0,0|1,0,1]=4 3614 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,2,0,0,0,0|1,0,0]=3 3615 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,2,0,0,0,0|1,0,1]=4 3616 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,2,0,0,0,0|1,0,0]=3 3617 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,2,0,0,0,0|1,0,0]=3 3618 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 3619 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 3620 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 3621 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 3622 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [0,2,0,0,0,0|1,0,0]=3 3623 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [0,2,0,0,0,0|1,0,0]=3 3624 B10R0.3 C=CCC(=O)NCCN(C)C 240690a_100000210585_100000210193 [0,2,0,0,0,0|2,0,0]=4 3625 B10R0.3 C=CCC(=O)NCCN(C)C 527a_100000210585_100000210193 [0,2,0,0,0,0|2,0,0]=4 3626 B10R0.3 C=CCC(=O)NNCC(C)C 22a_100000696102_100000210193 [0,2,0,0,0,0|2,0,0]=4 3627 B10R0.3 C=CCC(=O)NNCC(C)O 22a_200000730056_100000210193 [0,2,0,0,0,0|2,0,0]=4 3628 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [0,2,0,0,0,0|2,0,0]=4 3629 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [0,2,0,0,0,0|2,0,0]=4 3630 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,2,0,0,0,0|2,0,0]=4 3632 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,2,0,0,0,0|1,0,0]=3 3633 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,2,0,0,0,0|1,0,0]=3 3634 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,2,0,0,0,0|1,0,0]=3 3635 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,2,0,0,0,0|1,0,0]=3 3636 B10R0.3 C=COC(=O)CNCC(F)F 34a_100000765723_100000036128 [0,2,0,0,0,0|2,0,0]=4 3637 B10R0.3 C=COC(=O)COCC(=C)C 34a_100000210245_100000036128 [0,2,0,0,0,0|1,0,1]=4 3638 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,2,0,0,0,0|1,0,1]=4 3639 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [0,2,0,0,0,0|1,0,0]=3 3640 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,2,0,0,0,0|1,0,0]=3 3641 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [0,2,0,0,0,0|1,0,0]=3 3642 B10R0.3 C=COC(=O)COCC(F)F 34a_100000743014_100000036128 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [0,2,0,0,0,0|1,0,0]=3 3644 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [0,2,0,0,0,0|1,0,0]=3 3645 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000036128_100000211660 [0,2,0,0,0,0|1,0,1]=4 3646 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000748629_100000036128 [0,2,0,0,0,0|1,0,1]=4 3647 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,2,0,0,0,0|1,0,0]=3 3648 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,2,0,0,0,0|1,0,0]=3 3649 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,2,0,0,0,0|1,0,0]=3 3650 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,2,0,0,0,0|1,0,0]=3 3651 B10R0.3 C=COC(=O)CSCC(F)F 62a_100000036128_100011934356 [0,2,0,0,0,0|2,0,0]=4 3652 B10R0.3 C=COC(=O)CSCC(F)F 62a_100011934356_100000036128 [0,2,0,0,0,0|2,0,0]=4 3653 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,2,0,0,0,0|1,0,0]=3 3654 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,2,0,0,0,0|1,0,0]=3 3655 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,2,0,0,0,0|0,0,2]=4 3656 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|0,0,2]=4 3657 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,2,0,0,0,0|0,0,2]=4 3658 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,2,0,0,0,0|0,0,2]=4 3659 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,2,0,0,0,0|0,0,2]=4 3660 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,2,0,0,0,0|0,0,1]=3 3661 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,2,0,0,0,0|0,0,1]=3 3662 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,2,0,0,0,0|0,0,1]=3 3663 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,2,0,0,0,0|1,0,1]=4 3664 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,2,0,0,0,0|1,0,1]=4 3665 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,2,0,0,0,0|1,0,1]=4 3666 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,2,0,0,0,0|1,0,1]=4 3667 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,2,0,0,0,0|1,0,1]=4 3668 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,2,0,0,0,0|1,0,1]=4 3669 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|0,0,0]=2 3670 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|0,0,0]=2 3671 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|0,0,0]=2 3672 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,2,0,0,0,0|0,0,2]=4 3673 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,2,0,0,0,0|0,0,2]=4 3674 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|0,0,2]=4 3675 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|0,0,2]=4 3676 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|0,0,2]=4 3677 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [0,2,0,0,0,0|1,0,0]=3 3678 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [0,2,0,0,0,0|1,0,0]=3 3679 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [0,2,0,0,0,0|1,0,0]=3 3680 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [0,2,0,0,0,0|1,0,0]=3 3681 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [0,2,0,0,0,0|1,0,0]=3 3682 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [0,2,0,0,0,0|1,0,0]=3 3683 B10R0.3 CC(C)OCCC(=O)C=CBr 1458a_100016273825_100000211751 [0,2,0,0,0,0|1,0,0]=3 3684 B10R0.3 CC(C)OCCC(=O)C=CCl 1458a_200016279998_100000211751 [0,2,0,0,0,0|1,0,0]=3 3685 B10R0.3 CC(C)OCCC(=O)C=CI 1458a_100016256311_100000211751 [0,2,0,0,0,0|1,0,0]=3 3686 B10R0.3 CC(C)SCCC(=O)C=CBr 1458a_100016273825_100000730970 [0,2,0,0,0,0|1,0,0]=3 3687 B10R0.3 CC(C)SCCC(=O)C=CCl 1458a_200016279998_100000730970 [0,2,0,0,0,0|1,0,0]=3 3688 B10R0.3 CC(C)SCCC(=O)C=CI 1458a_100016256311_100000730970 [0,2,0,0,0,0|1,0,0]=3 3689 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,2,0,0,0,0|0,0,0]=2 3690 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,2,0,0,0,0|0,0,0]=2 3691 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,2,0,0,0,0|0,0,0]=2 3692 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,2,0,0,0,0|0,0,2]=4 3693 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|0,0,2]=4 3694 B10R0.3 CC(O)CCNC(=O)C=CBr 240690a_200000755665_100016273825 [0,2,0,0,0,0|1,0,0]=3 3695 B10R0.3 CC(O)CCNC(=O)C=CCl 240690a_200000755665_200016279998 [0,2,0,0,0,0|1,0,0]=3 3696 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,2,0,0,0,0|0,0,2]=4 3697 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,2,0,0,0,0|0,0,1]=3 3698 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,2,0,0,0,0|1,0,1]=4 3699 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|0,0,0]=2 3700 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|0,0,0]=2 3701 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,2,0,0,0,0|1,0,0]=3 3702 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,2,0,0,0,0|1,0,1]=4 3703 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,2,0,0,0,0|1,0,1]=4 3704 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,2,0,0,0,0|1,0,0]=3 3705 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,2,0,0,0,0|1,0,0]=3 3706 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,2,0,0,0,0|1,0,0]=3 3707 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,2,0,0,0,0|1,0,0]=3 3708 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,2,0,0,0,0|1,0,0]=3 3709 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,2,0,0,0,0|1,0,0]=3 3710 B10R0.3 CC=CC(=O)NCCN(C)C 240690a_100000210585_100000210699 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [0,2,0,0,0,0|2,0,0]=4 3712 B10R0.3 CC=CC(=O)NNCC(C)O 22a_200000730056_100000210699 [0,2,0,0,0,0|2,0,0]=4 3713 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|0,0,2]=4 3714 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|0,0,2]=4 3715 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|0,0,2]=4 3716 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|0,0,2]=4 3717 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|0,0,2]=4 3718 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|0,0,2]=4 3719 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|0,0,2]=4 3720 B10R0.3 CN(C)CCCC(=O)C=CBr 1458a_100016273825_100000695564 [0,2,0,0,0,0|1,0,0]=3 3721 B10R0.3 CN(C)CCCC(=O)C=CCl 1458a_200016279998_100000695564 [0,2,0,0,0,0|1,0,0]=3 3722 B10R0.3 CN(C)CCCC(=O)C=CI 1458a_100016256311_100000695564 [0,2,0,0,0,0|1,0,0]=3 3723 B10R0.3 CN(C)CCNC(=O)C=CBr 240690a_100000210585_100016273825 [0,2,0,0,0,0|2,0,0]=4 3724 B10R0.3 CN(C)CCNC(=O)C=CCl 240690a_100000210585_200016279998 [0,2,0,0,0,0|2,0,0]=4 3725 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,2,0,0,0,0|1,0,1]=4 3726 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|1,0,1]=4 3727 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|0,0,2]=4 3728 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|0,0,2]=4 3729 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|0,0,2]=4 3730 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|0,0,2]=4 3731 B10R0.3 NC(=O)CCCC(=O)C=CBr 1458a_100016273825_100102525003 [0,2,0,0,0,0|1,0,1]=4 3732 B10R0.3 NC(=O)CCCC(=O)C=CCl 1458a_200016279998_100102525003 [0,2,0,0,0,0|1,0,1]=4 3733 B10R0.3 NC(=O)CCCC(=O)C=CI 1458a_100016256311_100102525003 [0,2,0,0,0,0|1,0,1]=4 3734 B10R0.44 C=CC(=O)CC(=O)NC(C)C 1458a_100000185746_100000183996 [0,2,0,0,0,0|1,0,1]=4 3735 B10R0.44 C=CC(=O)CC(=O)OC(C)C 1458a_100000185746_100011215430 [0,2,0,0,0,0|1,0,1]=4 3736 B10R0.44 C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000185746 [0,2,0,0,0,0|1,0,0]=3 3737 B10R0.44 C=CC(=O)NC(C)CC(C)C 240690a_100000692259_200121576911 [0,2,0,0,0,0|1,0,0]=3 3738 B10R0.44 C=CC(=O)NC(C)CN(C)C 240690a_100016992788_200121576911 [0,2,0,0,0,0|2,0,0]=4 3739 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,2,0,0,0,0|0,0,2]=4 3740 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|0,0,0]=2 3741 B10R0.57 C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000185746 [0,2,0,0,0,0|1,0,0]=3 3742 B10R0.57 C=CC(=O)N(C)CCC(C)C 240690a_100000742789_200121576911 [0,2,0,0,0,0|1,0,0]=3 3743 B10R0.57 C=CC(=O)N(C)CCN(C)C 240690a_100000225618_200121576911 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|1,0,1]=4 3745 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|0,0,2]=4 3746 B10R0.59 C#CC(=O)CCCN(C)CC 1458a_100000211873_100015186262 [0,2,0,0,0,0|0,0,2]=4 3747 B10R0.59 C=CC(=NNCC(O)CC)C 4a_100015206393_200015361842 [0,2,0,0,0,0|2,0,0]=4 3748 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [0,2,0,0,0,0|0,0,1]=3 3749 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,2,0,0,0,0|0,0,1]=3 3750 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,2,0,0,0,0|0,0,0]=2 3751 B10R0.59 C=CC(=O)CCOC(=O)NC 1458a_100000185746_200011997002 [0,2,0,0,0,0|1,0,1]=4 3752 B10R0.59 C=CC(=O)NCCC(=O)NC 240690a_100000738227_200121576911 [0,2,0,0,0,0|1,0,1]=4 3753 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|0,0,0]=2 3754 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|0,0,0]=2 3755 B10R0.59 C=CC(=O)NCCC(C)CO 240690a_106354213184_200121576911 [0,2,0,0,0,0|1,0,0]=3 3756 B10R0.59 C=CC(=O)NNCC(C)C#N 22a_100000045663_100000185746 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.59 C=CC(=O)NNCC(O)CC 22a_100015206393_100000185746 [0,2,0,0,0,0|1,0,0]=3 3758 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000065099_100000210202 [0,2,0,0,0,0|0,0,1]=3 3759 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000210414_100009813456 [0,2,0,0,0,0|0,0,1]=3 3760 B10R0.59 C=CC(=O)OCCC(=O)CF 1458a_100000065099_100015361967 [0,2,0,0,0,0|1,0,1]=4 3761 B10R0.59 C=CC(=O)OCCC(=O)CO 1458a_100000210174_100009813456 [0,2,0,0,0,0|1,0,1]=4 3762 B10R0.59 C=CC(=O)OCCC(=O)NC 240690a_100102657272_100000065099 [0,2,0,0,0,0|1,0,1]=4 3763 B10R0.59 C=CC(=O)OCCN(C)CC 2230a_100000225621_100009813456 [0,2,0,0,0,0|1,0,0]=3 3764 B10R0.59 C=CC(=O)OCCN(C)CC 269982a_100000225621_100009813456 [0,2,0,0,0,0|1,0,0]=3 3765 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [0,2,0,0,0,0|1,0,1]=4 3766 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [0,2,0,0,0,0|1,0,1]=4 3767 B10R0.59 C=CC(C)COCC(O)CC 34a_100011215527_100011218378 [0,2,0,0,0,0|1,0,1]=4 3768 B10R0.59 C=CC(C)COCC(O)CC 7a_100011215527_100011218378 [0,2,0,0,0,0|1,0,1]=4 3769 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [0,2,0,0,0,0|1,0,1]=4 3770 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [0,2,0,0,0,0|1,0,1]=4 3771 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [0,2,0,0,0,0|0,0,2]=4 3772 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [0,2,0,0,0,0|0,0,2]=4 3773 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [0,2,0,0,0,0|0,0,2]=4 3774 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [0,2,0,0,0,0|0,0,2]=4 3775 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [0,2,0,0,0,0|0,0,2]=4 3776 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [0,2,0,0,0,0|0,0,2]=4 3777 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [0,2,0,0,0,0|0,0,2]=4 3778 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [0,2,0,0,0,0|0,0,2]=4 3779 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [0,2,0,0,0,0|0,0,2]=4 3780 B10R0.59 C=C[C@H](N)COCC(C)CC 34a_100016989147_100000748023 [0,2,0,0,0,0|1,0,1]=4 3781 B10R0.59 C=C[C@H](N)COCC(O)CC 34a_100016989147_100011218378 [0,2,0,0,0,0|1,0,1]=4 3782 B10R0.59 C=C[C@H](N)COC[C@@H](C)CC 34a_100016989147_100009816398 [0,2,0,0,0,0|1,0,1]=4 3783 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,2,0,0,0,0|1,0,1]=4 3784 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|1,0,1]=4 3785 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|1,0,1]=4 3786 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|0,0,2]=4 3787 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|0,0,2]=4 3788 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|0,0,2]=4 3789 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|0,0,2]=4 3790 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|0,0,2]=4 3791 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|0,0,2]=4 3792 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|0,0,2]=4 3793 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|0,0,2]=4 3794 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|0,0,2]=4 3795 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|0,0,2]=4 3796 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|0,0,2]=4 3797 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 3798 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 3799 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 3800 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 3801 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,1]=4 3802 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,1]=4 3803 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|1,0,1]=4 3804 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|1,0,1]=4 3805 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|1,0,1]=4 3806 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|1,0,1]=4 3807 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|1,0,1]=4 3808 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|1,0,1]=4 3809 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|1,0,1]=4 3810 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|1,0,1]=4 3811 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|1,0,1]=4 3812 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|1,0,1]=4 3813 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|1,0,1]=4 3814 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|1,0,1]=4 3815 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|1,0,1]=4 3816 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|1,0,1]=4 3817 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|1,0,1]=4 3818 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|1,0,1]=4 3819 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|1,0,1]=4 3820 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|1,0,1]=4 3821 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|1,0,1]=4 3822 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|1,0,1]=4 3823 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|1,0,1]=4 3824 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|1,0,1]=4 3825 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|1,0,1]=4 3826 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|1,0,1]=4 3827 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|1,0,1]=4 3828 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|1,0,1]=4 3829 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|1,0,1]=4 3830 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|1,0,1]=4 3831 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,1]=4 3832 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|1,0,1]=4 3833 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|1,0,1]=4 3834 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|1,0,1]=4 3835 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|1,0,1]=4 3836 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|1,0,1]=4 3837 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|1,0,1]=4 3838 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|1,0,1]=4 3839 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|1,0,1]=4 3840 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|1,0,1]=4 3841 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|1,0,1]=4 3842 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|1,0,1]=4 3843 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|1,0,1]=4 3844 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|1,0,1]=4 3845 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|1,0,1]=4 3846 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,1]=4 3847 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|1,0,1]=4 3848 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|1,0,1]=4 3849 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|1,0,1]=4 3850 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|1,0,1]=4 3851 B10R0.60 C=CC(=O)CCCC(F)(F)F 1458a_100000185746_100011216173 [0,2,0,0,0,0|1,0,0]=3 3852 B10R0.60 C=CC(=O)CCCS(=O)(=O)C 1458a_100000185746_100000754308 [0,2,0,0,0,0|1,0,0]=3 3853 B10R0.60 C=CC(=O)CCCS(=O)(=O)N 1458a_100000185746_100000750626 [0,2,0,0,0,0|2,0,0]=4 3854 B10R0.60 C=CC(=O)CCCS(=O)(=O)[O-] 1458a_100000185746_100009813499 [0,2,0,0,0,0|2,0,0]=4 3855 B10R0.60 C=CC(=O)CCC[N+](C)(C)C 1458a_100000185746_100016990835 [0,2,0,0,0,0|1,0,0]=3 3856 B10R0.60 C=CC(=O)CCC[Si](C)(C)C 1458a_100000185746_100011219597 [0,2,0,0,0,0|0,1,0]=3 3857 B10R0.60 C=CC(=O)CCNS(=O)(=O)C 1458a_100000185746_100000754112 [0,2,0,0,0,0|2,0,0]=4 3858 B10R0.60 C=CC(=O)CCOS(=O)(=O)C 1458a_100000185746_200000036756 [0,2,0,0,0,0|2,0,0]=4 3859 B10R0.60 C=CC(=O)CCO[Si](C)(C)C 1458a_100000185746_200000032530 [0,2,0,0,0,0|1,1,0]=4 3860 B10R0.60 C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000185746 [0,2,0,0,0,0|1,0,0]=3 3861 B10R0.60 C=CC(=O)NCCC(C)(C)C 240690a_100000738805_200121576911 [0,2,0,0,0,0|1,0,0]=3 3862 B10R0.60 C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000185746 [0,2,0,0,0,0|1,0,0]=3 3863 B10R0.60 C=CC(=O)NCCC(C)(C)F 240690a_100016253952_200121576911 [0,2,0,0,0,0|1,0,0]=3 3864 B10R0.60 C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000185746 [0,2,0,0,0,0|1,0,0]=3 3865 B10R0.60 C=CC(=O)NCCC(F)(F)F 1626a_100000740434_100000185746 [0,2,0,0,0,0|2,0,0]=4 3866 B10R0.60 C=CC(=O)NCCC(F)(F)F 240690a_100000740434_200121576911 [0,2,0,0,0,0|2,0,0]=4 3867 B10R0.60 C=CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000185746 [0,2,0,0,0,0|2,0,0]=4 3868 B10R0.60 C=CC(=O)NCCS(=O)(=O)C 240690a_100000740961_200121576911 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.60 C=CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000185746 [0,2,0,0,0,0|2,0,0]=4 3870 B10R0.60 C=CC(=O)NCC[N+](C)(C)C 240690a_100000106457_200121576911 [0,2,0,0,0,0|2,0,0]=4 3871 B10R0.82 C=C(Br)C(=O)NCC(C)CC 11a_100020588543_100009813364 [0,2,0,0,0,0|1,0,0]=3 3872 B10R0.82 C=C(Br)C(=O)NCC(C)CC 1626a_100020588543_100009813364 [0,2,0,0,0,0|1,0,0]=3 3873 B10R0.82 C=C(Br)C(=O)NCC(O)CC 11a_100011218483_100009813364 [0,2,0,0,0,0|1,0,0]=3 3874 B10R0.82 C=C(Br)C(=O)NC[C@@H](C)OC 11a_100020591295_100009813364 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.82 C=C(Br)C(=O)NC[C@@H](C)OC 1626a_100020591295_100009813364 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.82 C=C(C)C(=O)NCC(=O)CC 1458a_100000076187_100000210202 [0,2,0,0,0,0|1,0,1]=4 3877 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,2,0,0,0,0|1,0,0]=3 3878 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,2,0,0,0,0|1,0,0]=3 3879 B10R0.82 C=C(C)C(=O)NCC(C)OC 34a_100000065599_200000210301 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.82 C=C(C)C(=O)NCC(C)O[13CH3] 34a_100000065599_200025704644 [0,2,0,0,0,0|2,0,0]=4 3881 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|1,0,0]=3 3882 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000185857 [0,2,0,0,0,0|2,0,0]=4 3883 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000185857 [0,2,0,0,0,0|2,0,0]=4 3884 B10R0.82 C=C(C)C(=O)NNC(C)CC 22a_100000718999_100000185857 [0,2,0,0,0,0|2,0,0]=4 3885 B10R0.82 C=C(C)C(=O)OCC(C)OC 7a_100000061822_200000210301 [0,2,0,0,0,0|2,0,0]=4 3886 B10R0.82 C=C(C)C(=O)OCC(C)O[13CH3] 7a_100000061822_200025704644 [0,2,0,0,0,0|2,0,0]=4 3887 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 11a_100020588543_100000039160 [0,2,0,0,0,0|1,0,0]=3 3888 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 1626a_100020588543_100000039160 [0,2,0,0,0,0|1,0,0]=3 3889 B10R0.82 C=C(Cl)C(=O)NCC(O)CC 11a_100011218483_100000039160 [0,2,0,0,0,0|1,0,0]=3 3890 B10R0.82 C=C(Cl)C(=O)NC[C@@H](C)OC 11a_100020591295_100000039160 [0,2,0,0,0,0|2,0,0]=4 3891 B10R0.82 C=C(Cl)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000039160 [0,2,0,0,0,0|2,0,0]=4 3892 B10R0.82 C=C(Cl)C(=O)NNC(C)CC 22a_100000718999_100000039160 [0,2,0,0,0,0|2,0,0]=4 3893 B10R0.82 C=C(F)C(=O)NCC(C)CC 11a_100020588543_100000036797 [0,2,0,0,0,0|1,0,0]=3 3894 B10R0.82 C=C(F)C(=O)NCC(C)CC 1626a_100020588543_100000036797 [0,2,0,0,0,0|1,0,0]=3 3895 B10R0.82 C=C(F)C(=O)NCC(O)CC 11a_100011218483_100000036797 [0,2,0,0,0,0|1,0,0]=3 3896 B10R0.82 C=C(F)C(=O)NC[C@@H](C)OC 11a_100020591295_100000036797 [0,2,0,0,0,0|2,0,0]=4 3897 B10R0.82 C=C(F)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000036797 [0,2,0,0,0,0|2,0,0]=4 3898 B10R0.82 C=C(F)C(=O)NNC(C)CC 22a_100000718999_100000036797 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.82 C=CC(=O)COC(=O)C(C)C 1458a_100000185746_100000139345 [0,2,0,0,0,0|1,0,1]=4 3900 B10R0.82 C=CC(=O)NCC(=O)C(C)C 1458a_200011222540_100000210206 [0,2,0,0,0,0|1,0,1]=4 3901 B10R0.82 C=CC(=O)NCC(O)C(C)C 240690a_100000759067_200121576911 [0,2,0,0,0,0|1,0,0]=3 3902 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|0,0,2]=4 3903 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,2,0,0,0,0|1,0,1]=4 3904 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,2,0,0,0,0|1,0,1]=4 3905 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,2,0,0,0,0|1,0,1]=4 3906 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,2,0,0,0,0|1,0,1]=4 3907 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,2,0,0,0,0|2,0,0]=4 3908 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|1,0,1]=4 3909 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|1,0,1]=4 3910 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|1,0,1]=4 3911 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|1,0,1]=4 3912 B10R0.82 CCC(O)CNC(=O)C(=O)N 240690a_100011218483_100011215815 [0,2,0,0,0,0|2,0,0]=4 3913 B10R0.98 C=C(Br)C(=O)NCCC(C)C 11a_100000210545_100009813364 [0,2,0,0,0,0|1,0,0]=3 3914 B10R0.98 C=C(Br)C(=O)NCCC(C)C 1626a_100000210545_100009813364 [0,2,0,0,0,0|1,0,0]=3 3915 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,2,0,0,0,0|0,0,2]=4 3916 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|0,0,1]=3 3917 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [0,2,0,0,0,0|1,0,1]=4 3918 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|0,0,0]=2 3919 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|0,0,0]=2 3920 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,2,0,0,0,0|1,0,0]=3 3921 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,2,0,0,0,0|1,0,1]=4 3922 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,2,0,0,0,0|1,0,1]=4 3923 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,2,0,0,0,0|1,0,0]=3 3924 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,2,0,0,0,0|1,0,0]=3 3925 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,2,0,0,0,0|1,0,0]=3 3926 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,2,0,0,0,0|1,0,0]=3 3927 B10R0.98 C=C(C)C(=O)NNCC(C)C 22a_100000696102_100000185857 [0,2,0,0,0,0|2,0,0]=4 3928 B10R0.98 C=C(C)C(=O)NNCC(C)O 22a_200000730056_100000185857 [0,2,0,0,0,0|2,0,0]=4 3929 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,2,0,0,0,0|1,0,1]=4 3930 B10R0.98 C=C(C)C(=O)OCCN(C)C 2230a_100102631434_100009816335 [0,2,0,0,0,0|2,0,0]=4 3931 B10R0.98 C=C(C)C(=O)OCCN(C)C 269982a_100102631434_100009816335 [0,2,0,0,0,0|2,0,0]=4 3932 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 11a_100000210545_100000039160 [0,2,0,0,0,0|1,0,0]=3 3933 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 1626a_100000210545_100000039160 [0,2,0,0,0,0|1,0,0]=3 3934 B10R0.98 C=C(Cl)C(=O)NNCC(C)C 22a_100000696102_100000039160 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.98 C=C(Cl)C(=O)NNCC(C)O 22a_200000730056_100000039160 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.98 C=C(F)C(=O)NCCC(C)C 11a_100000210545_100000036797 [0,2,0,0,0,0|1,0,0]=3 3937 B10R0.98 C=C(F)C(=O)NCCC(C)C 1626a_100000210545_100000036797 [0,2,0,0,0,0|1,0,0]=3 3938 B10R0.98 C=C(F)C(=O)NNCC(C)C 22a_100000696102_100000036797 [0,2,0,0,0,0|2,0,0]=4 3939 B10R0.98 C=C(F)C(=O)NNCC(C)O 22a_200000730056_100000036797 [0,2,0,0,0,0|2,0,0]=4 3940 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|1,0,1]=4 3941 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|1,0,1]=4 3942 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|1,0,1]=4 3943 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|1,0,1]=4 3944 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|1,0,1]=4 3945 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|1,0,1]=4 3946 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|1,0,1]=4 3947 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|1,0,1]=4 3948 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|1,0,1]=4 3949 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|1,0,1]=4 3950 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|1,0,1]=4 3951 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|1,0,1]=4 3952 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|1,0,1]=4 3953 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|0,0,2]=4 3954 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|0,0,2]=4 3955 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|0,0,2]=4 3956 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,2,0,0,0,0|1,0,1]=4 3957 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,2,0,0,0,0|1,0,1]=4 3958 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,2,0,0,0,0|1,0,1]=4 3959 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,2,0,0,0,0|1,0,1]=4 3960 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,2,0,0,0,0|1,0,1]=4 3961 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|0,0,2]=4 3962 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|0,0,2]=4 3963 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,2,0,0,0,0|2,0,0]=4 3964 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|0,0,2]=4 3965 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|0,0,2]=4 3966 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,2,0,0,0,0|1,0,1]=4 3967 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,2,0,0,0,0|1,0,1]=4 3968 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,2,0,0,0,0|1,0,1]=4 3969 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|0,0,2]=4 3970 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|0,0,2]=4 3971 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,2,0,0,0,0|2,0,0]=4 3972 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|0,0,2]=4 3973 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|0,0,2]=4 3974 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,2,0,0,0,0|0,0,2]=4 3975 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,2,0,0,0,0|0,0,2]=4 3976 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,2,0,0,0,0|0,0,2]=4 3977 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,2,0,0,0,0|0,0,2]=4 3978 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,2,0,0,0,0|0,0,2]=4 3979 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,2,0,0,0,0|0,0,2]=4 3980 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,2,0,0,0,0|0,0,2]=4 3981 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,2,0,0,0,0|0,0,2]=4 3982 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,2,0,0,0,0|0,0,2]=4 3983 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|0,0,2]=4 3984 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|0,0,2]=4 3985 B10R0.1 C#CCCCCC(=O)C=CBr 1458a_100016273825_100010269958 [0,2,0,0,0,0|0,0,1]=3 3986 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,2,0,0,0,0|0,0,1]=3 3987 B10R0.1 C#CCCCCC(=O)C=CCl 1458a_200016279998_100010269958 [0,2,0,0,0,0|0,0,1]=3 3988 B10R0.1 C#CCCCCC(=O)C=CI 1458a_100016256311_100010269958 [0,2,0,0,0,0|0,0,1]=3 3989 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000210193_100010269958 [0,2,0,0,0,0|0,0,1]=3 3990 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000696528_100000210623 [0,2,0,0,0,0|0,0,1]=3 3991 B10R0.1 C#CCCCNC(=O)C=CBr 1626a_100000718082_100016273825 [0,2,0,0,0,0|0,0,2]=4 3992 B10R0.1 C#CCCCNC(=O)C=CBr 240690a_100000718082_100016273825 [0,2,0,0,0,0|0,0,2]=4 3993 B10R0.1 C#CCCCNC(=O)C=CC 11a_100000718082_100000210699 [0,2,0,0,0,0|0,0,2]=4 3994 B10R0.1 C#CCCCNC(=O)C=CC 1626a_100000718082_100000210699 [0,2,0,0,0,0|0,0,2]=4 3995 B10R0.1 C#CCCCNC(=O)C=CC 240690a_100000718082_100000210699 [0,2,0,0,0,0|0,0,2]=4 3996 B10R0.1 C#CCCCNC(=O)C=CCl 11a_100000718082_200016279998 [0,2,0,0,0,0|0,0,2]=4 3997 B10R0.1 C#CCCCNC(=O)C=CCl 1626a_100000718082_200016279998 [0,2,0,0,0,0|0,0,2]=4 3998 B10R0.1 C#CCCCNC(=O)C=CCl 240690a_100000718082_200016279998 [0,2,0,0,0,0|0,0,2]=4 3999 B10R0.1 C#CCCCNC(=O)C=CI 1626a_100000718082_100016256311 [0,2,0,0,0,0|0,0,2]=4 4000 B10R0.1 C#CCCCNC(=O)CC=C 11a_100000718082_100000210193 [0,2,0,0,0,0|0,0,2]=4 4001 B10R0.1 C#CCCCNC(=O)CC=C 1626a_100000718082_100000210193 [0,2,0,0,0,0|0,0,2]=4 4002 B10R0.1 C#CCCCNC(=O)CC=C 240690a_100000718082_100000210193 [0,2,0,0,0,0|0,0,2]=4 4003 B10R0.1 C#CCCCNC(=O)CC=C 527a_100000718082_100000210193 [0,2,0,0,0,0|0,0,2]=4 4004 B10R0.1 C#CCCNCC(=O)OC=C 34a_100000755551_100000036128 [0,2,0,0,0,0|0,0,2]=4 4005 B10R0.1 C#CCCOCC(=O)OC=C 34a_100011215631_100000036128 [0,2,0,0,0,0|0,0,2]=4 4006 B10R0.1 C#CCCSCC(=O)OC=C 62a_100000036128_100000688953 [0,2,0,0,0,0|0,0,2]=4 4007 B10R0.1 C#CCCSCC(=O)OC=C 62a_100000688953_100000036128 [0,2,0,0,0,0|0,0,2]=4 4008 B10R0.1 C#CCOCCC(=O)C=CBr 1458a_100016273825_100010402529 [0,2,0,0,0,0|0,0,2]=4 4009 B10R0.1 C#CCOCCC(=O)C=CC 1458a_100000210699_100010402529 [0,2,0,0,0,0|0,0,2]=4 4010 B10R0.1 C#CCOCCC(=O)C=CCl 1458a_200016279998_100010402529 [0,2,0,0,0,0|0,0,2]=4 4011 B10R0.1 C#CCOCCC(=O)C=CI 1458a_100016256311_100010402529 [0,2,0,0,0,0|0,0,2]=4 4012 B10R0.1 C#CCOCCC(=O)CC=C 1458a_100000210193_100010402529 [0,2,0,0,0,0|0,0,2]=4 4013 B10R0.1 C#CCOCCC(=O)CC=C 1458a_100000693358_100000210623 [0,2,0,0,0,0|0,0,2]=4 4014 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,2,0,0,0,0|1,0,1]=4 4015 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,2,0,0,0,0|0,0,1]=3 4016 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,2,0,0,0,0|0,0,1]=3 4017 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,2,0,0,0,0|0,0,1]=3 4018 B10R0.1 C=CCC(=O)CCCCC#N 1458a_100000210193_100000211819 [0,2,0,0,0,0|0,0,1]=3 4019 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|0,0,0]=2 4020 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|0,0,0]=2 4021 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|0,0,0]=2 4022 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|0,0,0]=2 4023 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|0,0,0]=2 4024 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|0,0,0]=2 4025 B10R0.1 C=CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210623 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|0,0,0]=2 4027 B10R0.1 C=CCC(=O)CCOCC#N 1458a_100000210193_200000047693 [0,2,0,0,0,0|1,0,1]=4 4028 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|0,0,0]=2 4029 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [0,2,0,0,0,0|1,0,0]=3 4030 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [0,2,0,0,0,0|1,0,0]=3 4031 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|0,0,0]=2 4032 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|0,0,0]=2 4033 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [0,2,0,0,0,0|1,0,0]=3 4034 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|0,0,0]=2 4035 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|0,0,0]=2 4036 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|0,0,0]=2 4037 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|0,0,0]=2 4038 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|0,0,0]=2 4039 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [0,2,0,0,0,0|1,0,0]=3 4040 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [0,2,0,0,0,0|1,0,0]=3 4041 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [0,2,0,0,0,0|1,0,0]=3 4042 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [0,2,0,0,0,0|1,0,0]=3 4043 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [0,2,0,0,0,0|1,0,0]=3 4044 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 4045 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 4046 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 4047 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,2,0,0,0,0|1,0,0]=3 4048 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [0,2,0,0,0,0|1,0,0]=3 4049 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [0,2,0,0,0,0|1,0,0]=3 4050 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [0,2,0,0,0,0|1,0,0]=3 4051 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [0,2,0,0,0,0|1,0,0]=3 4052 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [0,2,0,0,0,0|1,0,0]=3 4053 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [0,2,0,0,0,0|1,0,0]=3 4054 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [0,2,0,0,0,0|1,0,0]=3 4055 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [0,2,0,0,0,0|1,0,0]=3 4056 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [0,2,0,0,0,0|1,0,0]=3 4057 B10R0.1 C=CCC(=O)NNCCOC 22a_100000741390_100000210193 [0,2,0,0,0,0|2,0,0]=4 4058 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,2,0,0,0,0|1,0,1]=4 4059 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,2,0,0,0,0|1,0,1]=4 4060 B10R0.1 C=CCCCCC(=O)C=CBr 1458a_100016273825_100011215482 [0,2,0,0,0,0|0,0,1]=3 4061 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,2,0,0,0,0|0,0,1]=3 4062 B10R0.1 C=CCCCCC(=O)C=CCl 1458a_200016279998_100011215482 [0,2,0,0,0,0|0,0,1]=3 4063 B10R0.1 C=CCCCCC(=O)C=CI 1458a_100016256311_100011215482 [0,2,0,0,0,0|0,0,1]=3 4064 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [0,2,0,0,0,0|0,0,1]=3 4065 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [0,2,0,0,0,0|0,0,1]=3 4066 B10R0.1 C=CCCCNC(=O)C=CBr 1626a_100000700776_100016273825 [0,2,0,0,0,0|0,0,2]=4 4067 B10R0.1 C=CCCCNC(=O)C=CBr 240690a_100000700776_100016273825 [0,2,0,0,0,0|0,0,2]=4 4068 B10R0.1 C=CCCCNC(=O)C=CC 11a_100000700776_100000210699 [0,2,0,0,0,0|0,0,2]=4 4069 B10R0.1 C=CCCCNC(=O)C=CC 1626a_100000700776_100000210699 [0,2,0,0,0,0|0,0,2]=4 4070 B10R0.1 C=CCCCNC(=O)C=CC 240690a_100000700776_100000210699 [0,2,0,0,0,0|0,0,2]=4 4071 B10R0.1 C=CCCCNC(=O)C=CCl 11a_100000700776_200016279998 [0,2,0,0,0,0|0,0,2]=4 4072 B10R0.1 C=CCCCNC(=O)C=CCl 1626a_100000700776_200016279998 [0,2,0,0,0,0|0,0,2]=4 4073 B10R0.1 C=CCCCNC(=O)C=CCl 240690a_100000700776_200016279998 [0,2,0,0,0,0|0,0,2]=4 4074 B10R0.1 C=CCCCNC(=O)C=CI 1626a_100000700776_100016256311 [0,2,0,0,0,0|0,0,2]=4 4075 B10R0.1 C=CCCCNC(=O)CC=C 11a_100000700776_100000210193 [0,2,0,0,0,0|0,0,2]=4 4076 B10R0.1 C=CCCCNC(=O)CC=C 1626a_100000700776_100000210193 [0,2,0,0,0,0|0,0,2]=4 4077 B10R0.1 C=CCCCNC(=O)CC=C 240690a_100000700776_100000210193 [0,2,0,0,0,0|0,0,2]=4 4078 B10R0.1 C=CCCCNC(=O)CC=C 527a_100000700776_100000210193 [0,2,0,0,0,0|0,0,2]=4 4079 B10R0.1 C=CCCNCC(=O)OC=C 2230a_100015191253_100000036128 [0,2,0,0,0,0|0,0,2]=4 4080 B10R0.1 C=CCCOCC(=O)OC=C 34a_100011205117_100000036128 [0,2,0,0,0,0|0,0,2]=4 4081 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000036128_100000754431 [0,2,0,0,0,0|0,0,2]=4 4082 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000754431_100000036128 [0,2,0,0,0,0|0,0,2]=4 4083 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,2,0,0,0,0|2,0,0]=4 4084 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 4085 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,2,0,0,0,0|2,0,0]=4 4086 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 4087 B10R0.1 C=CCN(C)CCCCCF 2230a_100000225617_100000729378 [0,2,0,0,0,0|2,0,0]=4 4088 B10R0.1 C=CCN(C)CCCCCF 269982a_100000225617_100000729378 [0,2,0,0,0,0|2,0,0]=4 4089 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [0,2,0,0,0,0|2,0,0]=4 4090 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [0,2,0,0,0,0|2,0,0]=4 4091 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [0,2,0,0,0,0|2,0,0]=4 4092 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [0,2,0,0,0,0|2,0,0]=4 4093 B10R0.1 C=CCN(C)CCCCOC 2230a_100000225617_100000730899 [0,2,0,0,0,0|2,0,0]=4 4094 B10R0.1 C=CCN(C)CCCCOC 269982a_100000225617_100000730899 [0,2,0,0,0,0|2,0,0]=4 4095 B10R0.1 C=CCN(C)CCCOCC 2230a_100000225617_100012232248 [0,2,0,0,0,0|2,0,0]=4 4096 B10R0.1 C=CCN(C)CCCOCC 269982a_100000225617_100012232248 [0,2,0,0,0,0|2,0,0]=4 4097 B10R0.1 C=CCN(C)CCOCCC 2230a_100000225617_100011215938 [0,2,0,0,0,0|2,0,0]=4 4098 B10R0.1 C=CCN(C)CCOCCC 269982a_100000225617_100011215938 [0,2,0,0,0,0|2,0,0]=4 4099 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [0,2,0,0,0,0|2,0,0]=4 4100 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [0,2,0,0,0,0|2,0,0]=4 4101 B10R0.1 C=CCOCCC(=O)CC=C 1458a_200011217002_100000210623 [0,2,0,0,0,0|0,0,2]=4 4102 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,2,0,0,0,0|1,0,1]=4 4103 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,2,0,0,0,0|1,0,1]=4 4104 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,2,0,0,0,0|1,0,1]=4 4105 B10R0.1 C=COC(=O)CNCC#CC 2230a_100000685387_100000036128 [0,2,0,0,0,0|0,0,2]=4 4106 B10R0.1 C=COC(=O)CNCC#CC 34a_100000685387_100000036128 [0,2,0,0,0,0|0,0,2]=4 4107 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|0,0,0]=2 4108 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,2,0,0,0,0|1,0,0]=3 4109 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,2,0,0,0,0|1,0,0]=3 4110 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,2,0,0,0,0|1,0,0]=3 4111 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,2,0,0,0,0|1,0,0]=3 4112 B10R0.1 C=COC(=O)COC/C=C/C 34a_100016270725_100000036128 [0,2,0,0,0,0|0,0,2]=4 4113 B10R0.1 C=COC(=O)COCC#CC 34a_100000761923_100000036128 [0,2,0,0,0,0|0,0,2]=4 4114 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,2,0,0,0,0|1,0,0]=3 4115 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|0,0,0]=2 4116 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,2,0,0,0,0|1,0,0]=3 4117 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,2,0,0,0,0|1,0,0]=3 4118 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,2,0,0,0,0|1,0,0]=3 4119 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,2,0,0,0,0|1,0,0]=3 4120 B10R0.1 C=COC(=O)COCCON 34a_100000700252_100000036128 [0,2,0,0,0,0|2,0,0]=4 4121 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,2,0,0,0,0|1,0,0]=3 4122 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100000036128_100102629194 [0,2,0,0,0,0|0,0,2]=4 4123 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100102629194_100000036128 [0,2,0,0,0,0|0,0,2]=4 4124 B10R0.1 C=COC(=O)CSCC#CC 62a_100000036128_100000748600 [0,2,0,0,0,0|0,0,2]=4 4125 B10R0.1 C=COC(=O)CSCC#CC 62a_100000748600_100000036128 [0,2,0,0,0,0|0,0,2]=4 4126 B10R0.1 C=COC(=O)CSCC=CC 62a_100000036128_100000070051 [0,2,0,0,0,0|0,0,2]=4 4127 B10R0.1 C=COC(=O)CSCC=CC 62a_100000070051_100000036128 [0,2,0,0,0,0|0,0,2]=4 4128 B10R0.1 C=COC(=O)CSCCC#N 62a_100000036128_100011215226 [0,2,0,0,0,0|1,0,1]=4 4129 B10R0.1 C=COC(=O)CSCCC#N 62a_100011215226_100000036128 [0,2,0,0,0,0|1,0,1]=4 4130 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|0,0,0]=2 4131 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|0,0,0]=2 4132 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,2,0,0,0,0|1,0,0]=3 4133 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,2,0,0,0,0|1,0,0]=3 4134 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,2,0,0,0,0|1,0,0]=3 4135 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,2,0,0,0,0|1,0,0]=3 4136 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,2,0,0,0,0|1,0,0]=3 4137 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,2,0,0,0,0|1,0,0]=3 4138 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,2,0,0,0,0|1,0,0]=3 4139 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,2,0,0,0,0|1,0,0]=3 4140 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [0,2,0,0,0,0|1,0,0]=3 4141 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [0,2,0,0,0,0|1,0,0]=3 4142 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|0,0,2]=4 4143 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|0,0,2]=4 4144 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|0,0,2]=4 4145 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|0,0,2]=4 4146 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,2,0,0,0,0|0,0,2]=4 4147 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|0,0,2]=4 4148 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|0,0,2]=4 4149 B10R0.1 CC/C=C\CCC(=O)C=CBr 1458a_100016273825_100015370543 [0,2,0,0,0,0|0,0,1]=3 4150 B10R0.1 CC/C=C\CCC(=O)C=CCl 1458a_200016279998_100015370543 [0,2,0,0,0,0|0,0,1]=3 4151 B10R0.1 CC/C=C\CCC(=O)C=CI 1458a_100016256311_100015370543 [0,2,0,0,0,0|0,0,1]=3 4152 B10R0.1 CC=CC(=NNCCCC)C 4a_100025702795_100011218416 [0,2,0,0,0,0|2,0,0]=4 4153 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,2,0,0,0,0|0,0,1]=3 4154 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,2,0,0,0,0|0,0,1]=3 4155 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|0,0,0]=2 4156 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|0,0,0]=2 4157 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|0,0,0]=2 4158 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|0,0,0]=2 4159 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|0,0,0]=2 4160 B10R0.1 CC=CC(=O)CCOCC#N 1458a_100000210699_200000047693 [0,2,0,0,0,0|1,0,1]=4 4161 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|0,0,0]=2 4162 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,2,0,0,0,0|1,0,0]=3 4163 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|0,0,0]=2 4164 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|0,0,0]=2 4165 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|0,0,0]=2 4166 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|0,0,0]=2 4167 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,2,0,0,0,0|1,0,0]=3 4168 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,2,0,0,0,0|1,0,0]=3 4169 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,2,0,0,0,0|1,0,0]=3 4170 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 4171 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 4172 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 4173 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,2,0,0,0,0|1,0,0]=3 4174 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,2,0,0,0,0|1,0,0]=3 4175 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,2,0,0,0,0|1,0,0]=3 4176 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,2,0,0,0,0|1,0,0]=3 4177 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,2,0,0,0,0|1,0,0]=3 4178 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,2,0,0,0,0|1,0,0]=3 4179 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,2,0,0,0,0|1,0,0]=3 4180 B10R0.1 CC=CC(=O)NNCCOC 22a_100000741390_100000210699 [0,2,0,0,0,0|2,0,0]=4 4181 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|0,0,2]=4 4182 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|0,0,2]=4 4183 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|0,0,2]=4 4184 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|0,0,2]=4 4185 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|0,0,2]=4 4186 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|0,0,0]=2 4187 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|0,0,0]=2 4188 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|0,0,0]=2 4189 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|0,0,2]=4 4190 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|0,0,2]=4 4191 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|0,0,2]=4 4192 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|0,0,2]=4 4193 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|0,0,2]=4 4194 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,2]=4 4195 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,2]=4 4196 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,2]=4 4197 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,0,2]=4 4198 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 4199 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 4200 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 4201 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|1,0,1]=4 4202 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|0,0,0]=2 4203 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|0,0,0]=2 4204 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|0,0,0]=2 4205 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|0,0,0]=2 4206 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|0,0,0]=2 4207 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|0,0,0]=2 4208 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|0,0,2]=4 4209 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|0,0,2]=4 4210 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 4211 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 4212 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 4213 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 4214 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|0,0,2]=4 4215 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|0,0,2]=4 4216 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|0,0,2]=4 4217 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|0,0,2]=4 4218 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 4219 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 4220 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 4221 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|0,0,2]=4 4222 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 4223 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 4224 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 4225 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 4226 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 4227 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|0,0,2]=4 4228 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|0,0,2]=4 4229 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|0,0,2]=4 4230 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|0,0,2]=4 4231 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|0,0,2]=4 4232 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|0,0,2]=4 4233 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|0,0,2]=4 4234 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|0,0,2]=4 4235 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|0,0,2]=4 4236 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|0,0,2]=4 4237 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|1,0,1]=4 4238 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|1,0,1]=4 4239 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|1,0,1]=4 4240 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|0,0,2]=4 4241 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|0,0,2]=4 4242 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|0,0,2]=4 4243 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|0,0,2]=4 4244 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|0,0,2]=4 4245 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,1]=4 4246 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,1]=4 4247 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|0,0,2]=4 4248 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|0,0,2]=4 4249 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|0,0,0]=2 4250 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|0,0,0]=2 4251 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|0,0,0]=2 4252 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,2,0,0,0,0|0,0,2]=4 4253 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,2,0,0,0,0|0,0,2]=4 4254 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|0,0,2]=4 4255 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|0,0,2]=4 4256 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|0,0,2]=4 4257 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|0,0,2]=4 4258 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|0,0,2]=4 4259 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|0,0,2]=4 4260 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|0,0,2]=4 4261 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|0,0,2]=4 4262 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|0,0,2]=4 4263 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|0,0,2]=4 4264 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|0,0,2]=4 4265 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|0,0,2]=4 4266 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|0,0,2]=4 4267 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,1]=4 4268 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,1]=4 4269 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|1,0,1]=4 4270 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 4271 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 4272 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,2,0,0,0,0|0,0,2]=4 4273 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|0,0,2]=4 4274 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|0,0,2]=4 4275 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|0,0,2]=4 4276 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|0,0,2]=4 4277 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|0,0,2]=4 4278 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|0,0,2]=4 4279 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|0,0,2]=4 4280 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|0,0,2]=4 4281 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|0,0,2]=4 4282 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|0,0,2]=4 4283 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,1]=4 4284 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,1]=4 4285 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|1,0,1]=4 4286 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|0,0,2]=4 4287 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|0,0,2]=4 4288 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|0,0,2]=4 4289 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|0,0,0]=2 4290 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|0,0,0]=2 4291 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|0,0,0]=2 4292 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,2,0,0,0,0|0,0,2]=4 4293 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|0,0,2]=4 4294 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|0,0,2]=4 4295 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|0,0,2]=4 4296 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|0,0,2]=4 4297 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|0,0,2]=4 4298 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|0,0,2]=4 4299 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|0,0,2]=4 4300 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,2]=4 4301 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,2]=4 4302 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|0,0,2]=4 4303 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|0,0,2]=4 4304 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 4305 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|0,0,2]=4 4306 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 4307 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,0,2]=4 4308 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,2]=4 4309 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,2]=4 4310 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,2]=4 4311 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,2]=4 4312 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,2]=4 4313 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,2]=4 4314 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|0,0,0]=2 4315 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|0,0,0]=2 4316 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|0,0,0]=2 4317 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,2,0,0,0,0|0,0,2]=4 4318 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|0,0,2]=4 4319 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|0,0,2]=4 4320 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|0,0,2]=4 4321 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,0,2]=4 4322 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,0,2]=4 4323 B10R0.1 CCOCCNC(=O)C=CBr 1626a_102516460346_100016273825 [0,2,0,0,0,0|1,0,0]=3 4324 B10R0.1 CCOCCNC(=O)C=CBr 240690a_100011200944_100016273825 [0,2,0,0,0,0|1,0,0]=3 4325 B10R0.1 CCOCCNC(=O)C=CCl 11a_100011200944_200016279998 [0,2,0,0,0,0|1,0,0]=3 4326 B10R0.1 CCOCCNC(=O)C=CCl 1626a_102516460346_200016279998 [0,2,0,0,0,0|1,0,0]=3 4327 B10R0.1 CCOCCNC(=O)C=CCl 240690a_100011200944_200016279998 [0,2,0,0,0,0|1,0,0]=3 4328 B10R0.1 CCOCCNC(=O)C=CI 1626a_102516460346_100016256311 [0,2,0,0,0,0|1,0,0]=3 4329 B10R0.1 CCSCCNC(=O)C=CBr 1626a_100000106463_100016273825 [0,2,0,0,0,0|1,0,0]=3 4330 B10R0.1 CCSCCNC(=O)C=CBr 240690a_100000106463_100016273825 [0,2,0,0,0,0|1,0,0]=3 4331 B10R0.1 CCSCCNC(=O)C=CCl 11a_100000106463_200016279998 [0,2,0,0,0,0|1,0,0]=3 4332 B10R0.1 CCSCCNC(=O)C=CCl 1626a_100000106463_200016279998 [0,2,0,0,0,0|1,0,0]=3 4333 B10R0.1 CCSCCNC(=O)C=CCl 240690a_100000106463_200016279998 [0,2,0,0,0,0|1,0,0]=3 4334 B10R0.1 CCSCCNC(=O)C=CI 1626a_100000106463_100016256311 [0,2,0,0,0,0|1,0,0]=3 4335 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|1,0,1]=4 4336 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|0,0,2]=4 4337 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|0,0,2]=4 4338 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|0,0,0]=2 4339 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|0,0,0]=2 4340 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|0,0,0]=2 4341 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,2,0,0,0,0|0,0,2]=4 4342 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|0,0,2]=4 4343 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|0,0,2]=4 4344 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|0,0,2]=4 4345 B10R0.1 COCCCNC(=O)C=CBr 1626a_100150723488_100016273825 [0,2,0,0,0,0|1,0,0]=3 4346 B10R0.1 COCCCNC(=O)C=CBr 240690a_100150723488_100016273825 [0,2,0,0,0,0|1,0,0]=3 4347 B10R0.1 COCCCNC(=O)C=CCl 1626a_100150723488_200016279998 [0,2,0,0,0,0|1,0,0]=3 4348 B10R0.1 COCCCNC(=O)C=CCl 240690a_100150723488_200016279998 [0,2,0,0,0,0|1,0,0]=3 4349 B10R0.1 COCCCNC(=O)C=CI 1626a_100150723488_100016256311 [0,2,0,0,0,0|1,0,0]=3 4350 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|0,0,2]=4 4351 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|0,0,2]=4 4352 B10R0.1 CSCCCNC(=O)C=CBr 1626a_100000749238_100016273825 [0,2,0,0,0,0|1,0,0]=3 4353 B10R0.1 CSCCCNC(=O)C=CBr 240690a_100000749238_100016273825 [0,2,0,0,0,0|1,0,0]=3 4354 B10R0.1 CSCCCNC(=O)C=CCl 11a_100000749238_200016279998 [0,2,0,0,0,0|1,0,0]=3 4355 B10R0.1 CSCCCNC(=O)C=CCl 1626a_100000749238_200016279998 [0,2,0,0,0,0|1,0,0]=3 4356 B10R0.1 CSCCCNC(=O)C=CCl 240690a_100000749238_200016279998 [0,2,0,0,0,0|1,0,0]=3 4357 B10R0.1 CSCCCNC(=O)C=CI 1626a_100000749238_100016256311 [0,2,0,0,0,0|1,0,0]=3 4358 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,2,0,0,0,0|0,0,2]=4 4359 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,2,0,0,0,0|0,0,2]=4 4360 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,2,0,0,0,0|0,0,2]=4 4361 B10R0.1 N#CCCCCC(=O)C=CBr 1458a_100016273825_100000211819 [0,2,0,0,0,0|0,0,1]=3 4362 B10R0.1 N#CCCCCC(=O)C=CCl 1458a_200016279998_100000211819 [0,2,0,0,0,0|0,0,1]=3 4363 B10R0.1 N#CCCCCC(=O)C=CI 1458a_100016256311_100000211819 [0,2,0,0,0,0|0,0,1]=3 4364 B10R0.1 N#CCOCCC(=O)C=CBr 1458a_100016273825_200000047693 [0,2,0,0,0,0|1,0,1]=4 4365 B10R0.1 N#CCOCCC(=O)C=CCl 1458a_200016279998_200000047693 [0,2,0,0,0,0|1,0,1]=4 4366 B10R0.1 N#CCOCCC(=O)C=CI 1458a_100016256311_200000047693 [0,2,0,0,0,0|1,0,1]=4 4367 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|0,0,0]=2 4368 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|0,0,0]=2 4369 B10R0.1 O=C(C=CBr)CCOCCO 1458a_100016273825_100011215305 [0,2,0,0,0,0|1,0,0]=3 4370 B10R0.1 O=C(C=CBr)NCCCCO 240690a_100000750430_100016273825 [0,2,0,0,0,0|1,0,0]=3 4371 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|0,0,0]=2 4372 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|0,0,0]=2 4373 B10R0.1 O=C(C=CCl)CCOCCO 1458a_200016279998_100011215305 [0,2,0,0,0,0|1,0,0]=3 4374 B10R0.1 O=C(C=CCl)NCCCCO 240690a_100000750430_200016279998 [0,2,0,0,0,0|1,0,0]=3 4375 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|0,0,0]=2 4376 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|0,0,0]=2 4377 B10R0.1 O=C(C=CI)CCOCCO 1458a_100016256311_100011215305 [0,2,0,0,0,0|1,0,0]=3 4378 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|0,0,2]=4 4379 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|0,0,2]=4 4380 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|0,0,2]=4 4381 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|0,0,2]=4 4382 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,2,0,0,0,0|0,0,2]=4 4383 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,2,0,0,0,0|0,0,2]=4 4384 B10R0.2 C=CCC(=O)C=C(C)CCC 1458a_100020676950_100000210623 [0,2,0,0,0,0|0,0,2]=4 4385 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,2,0,0,0,0|0,0,1]=3 4386 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,2,0,0,0,0|0,0,1]=3 4387 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [0,2,0,0,0,0|1,0,1]=4 4388 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,2,0,0,0,0|1,0,1]=4 4389 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,2,0,0,0,0|1,0,1]=4 4390 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,2,0,0,0,0|0,0,0]=2 4391 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,2,0,0,0,0|0,0,0]=2 4392 B10R0.2 C=CCC(=O)CC(C)SCC 1458a_200011311441_100000210623 [0,2,0,0,0,0|1,0,0]=3 4393 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,2,0,0,0,0|1,0,0]=3 4394 B10R0.2 C=CCC(=O)NC(C)CCC 11a_100000741246_100000210193 [0,2,0,0,0,0|1,0,0]=3 4395 B10R0.2 C=CCC(=O)NC(C)CCC 1626a_100000741246_100000210193 [0,2,0,0,0,0|1,0,0]=3 4396 B10R0.2 C=CCC(=O)NC(C)CCC 240690a_100000741246_100000210193 [0,2,0,0,0,0|1,0,0]=3 4397 B10R0.2 C=CCC(=O)NC(C)CCC 527a_100000741246_100000210193 [0,2,0,0,0,0|1,0,0]=3 4398 B10R0.2 C=CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210193 [0,2,0,0,0,0|2,0,0]=4 4399 B10R0.2 C=CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210193 [0,2,0,0,0,0|2,0,0]=4 4400 B10R0.2 C=CCC(=O)N[C@H](C)COC 11a_100000764878_100000210193 [0,2,0,0,0,0|2,0,0]=4 4401 B10R0.2 C=CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210193 [0,2,0,0,0,0|2,0,0]=4 4402 B10R0.2 C=CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210193 [0,2,0,0,0,0|2,0,0]=4 4403 B10R0.2 C=CCC(=O)N[C@H](C)COC 527a_100000764878_100000210193 [0,2,0,0,0,0|2,0,0]=4 4404 B10R0.2 C=CCN(C)CC(C)CCC 2230a_100000225617_100011216630 [0,2,0,0,0,0|2,0,0]=4 4405 B10R0.2 C=CCN(C)CC(C)CCC 269982a_100000225617_100011216630 [0,2,0,0,0,0|2,0,0]=4 4406 B10R0.2 C=CCN(C)CC(C)CCC 270004a_100000225617_100000243154 [0,2,0,0,0,0|2,0,0]=4 4407 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,2,0,0,0,0|0,0,1]=3 4408 B10R0.2 C=COC(=O)CC(=O)CCO 1458a_100011216618_100000036128 [0,2,0,0,0,0|1,0,1]=4 4409 B10R0.2 C=COC(=O)CC(=O)COC 1458a_100000210968_100000036128 [0,2,0,0,0,0|1,0,1]=4 4410 B10R0.2 C=COC(=O)CC(=O)CSC 1458a_100000184570_100000036128 [0,2,0,0,0,0|1,0,1]=4 4411 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,2,0,0,0,0|1,0,0]=3 4412 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,2,0,0,0,0|1,0,0]=3 4413 B10R0.2 C=COC(=O)CN(C)CCO 2230a_100000210263_100000036128 [0,2,0,0,0,0|2,0,0]=4 4414 B10R0.2 C=COC(=O)CN(C)CCO 269982a_100000210263_100000036128 [0,2,0,0,0,0|2,0,0]=4 4415 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,2,0,0,0,0|0,0,2]=4 4416 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|0,0,1]=3 4417 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,2,0,0,0,0|1,0,1]=4 4418 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|1,0,1]=4 4419 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|0,0,0]=2 4420 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,2,0,0,0,0|1,0,0]=3 4421 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,2,0,0,0,0|1,0,0]=3 4422 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,2,0,0,0,0|1,0,0]=3 4423 B10R0.2 CC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210699 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.2 CC=CC(=O)N[C@H](C)COC 11a_100000764878_100000210699 [0,2,0,0,0,0|2,0,0]=4 4425 B10R0.2 CC=CC(=O)N[C@H](C)COC 1626a_100000764878_100000210699 [0,2,0,0,0,0|2,0,0]=4 4426 B10R0.2 CC=CC(=O)N[C@H](C)COC 240690a_100000764878_100000210699 [0,2,0,0,0,0|2,0,0]=4 4427 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,2,0,0,0,0|0,0,1]=3 4428 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,2,0,0,0,0|0,0,1]=3 4429 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,2,0,0,0,0|0,0,1]=3 4430 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|0,0,2]=4 4431 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|0,0,2]=4 4432 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,2,0,0,0,0|0,0,0]=2 4433 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,2,0,0,0,0|0,0,0]=2 4434 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,2,0,0,0,0|0,0,0]=2 4435 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,2,0,0,0,0|0,0,2]=4 4436 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,2,0,0,0,0|0,0,2]=4 4437 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|0,0,2]=4 4438 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|0,0,2]=4 4439 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|0,0,2]=4 4440 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|0,0,2]=4 4441 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|0,0,2]=4 4442 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|0,0,2]=4 4443 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|0,0,2]=4 4444 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|0,0,2]=4 4445 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,2,0,0,0,0|1,0,1]=4 4446 B10R0.2 CCCC(C)NC(=O)C=CBr 1626a_100000741246_100016273825 [0,2,0,0,0,0|1,0,0]=3 4447 B10R0.2 CCCC(C)NC(=O)C=CBr 240690a_100000741246_100016273825 [0,2,0,0,0,0|1,0,0]=3 4448 B10R0.2 CCCC(C)NC(=O)C=CCl 11a_100000741246_200016279998 [0,2,0,0,0,0|1,0,0]=3 4449 B10R0.2 CCCC(C)NC(=O)C=CCl 1626a_100000741246_200016279998 [0,2,0,0,0,0|1,0,0]=3 4450 B10R0.2 CCCC(C)NC(=O)C=CCl 240690a_100000741246_200016279998 [0,2,0,0,0,0|1,0,0]=3 4451 B10R0.2 CCCC(C)NC(=O)C=CI 1626a_100000741246_100016256311 [0,2,0,0,0,0|1,0,0]=3 4452 B10R0.2 CCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183381 [0,2,0,0,0,0|1,0,1]=4 4453 B10R0.2 CCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183381 [0,2,0,0,0,0|1,0,1]=4 4454 B10R0.2 CCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183381 [0,2,0,0,0,0|1,0,1]=4 4455 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,2,0,0,0,0|1,0,1]=4 4457 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,2,0,0,0,0|1,0,1]=4 4458 B10R0.2 COC[C@@H](C)NC(=O)C=CBr 1626a_100000764878_100016273825 [0,2,0,0,0,0|2,0,0]=4 4459 B10R0.2 COC[C@@H](C)NC(=O)C=CBr 240690a_100000764878_100016273825 [0,2,0,0,0,0|2,0,0]=4 4460 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 11a_100000764878_200016279998 [0,2,0,0,0,0|2,0,0]=4 4461 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 1626a_100000764878_200016279998 [0,2,0,0,0,0|2,0,0]=4 4462 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 240690a_100000764878_200016279998 [0,2,0,0,0,0|2,0,0]=4 4463 B10R0.2 COC[C@@H](C)NC(=O)C=CI 1626a_100000764878_100016256311 [0,2,0,0,0,0|2,0,0]=4 4464 B10R0.2 C[C@H](CCO)NC(=O)C=CBr 240690a_100000706166_100016273825 [0,2,0,0,0,0|2,0,0]=4 4465 B10R0.2 C[C@H](CCO)NC(=O)C=CCl 240690a_100000706166_200016279998 [0,2,0,0,0,0|2,0,0]=4 4466 B10R0.6 C#CCCCC(=O)C=C(C)C 1458a_100000211388_100000731252 [0,2,0,0,0,0|0,0,2]=4 4467 B10R0.6 C#CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000731252 [0,2,0,0,0,0|0,0,2]=4 4468 B10R0.6 C#CCCCC(=O)C=C(C)I 1458a_100025716642_100000731252 [0,2,0,0,0,0|0,0,2]=4 4469 B10R0.6 C#CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000731252 [0,2,0,0,0,0|0,0,2]=4 4470 B10R0.6 C#CCCCC(=O)CC(=C)C 1458a_100000690238_100000748629 [0,2,0,0,0,0|0,0,2]=4 4471 B10R0.6 C#CCCCC(=O)CC(=C)F 1458a_100000690238_100009893438 [0,2,0,0,0,0|0,0,2]=4 4472 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,2,0,0,0,0|0,0,2]=4 4473 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [0,2,0,0,0,0|0,0,2]=4 4474 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,2,0,0,0,0|0,0,2]=4 4475 B10R0.6 C=C(C)CC(=O)CCCC#N 1458a_100000075515_100000748629 [0,2,0,0,0,0|1,0,1]=4 4476 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|0,0,0]=2 4477 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|1,0,0]=3 4478 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|1,0,0]=3 4479 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|1,0,0]=3 4480 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|1,0,0]=3 4481 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|1,0,0]=3 4482 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|1,0,0]=3 4483 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|1,0,0]=3 4485 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.6 C=C(F)CC(=O)C#CCCC 1458a_200011218047_100009893438 [0,2,0,0,0,0|0,0,2]=4 4490 B10R0.6 C=C(F)CC(=O)C/C=C/CC 1458a_100016274230_100009893438 [0,2,0,0,0,0|0,0,2]=4 4491 B10R0.6 C=C(F)CC(=O)C=CCCC 1458a_100000212230_100009893438 [0,2,0,0,0,0|0,0,2]=4 4492 B10R0.6 C=C(F)CC(=O)CCCC#N 1458a_100000075515_100009893438 [0,2,0,0,0,0|1,0,1]=4 4493 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|0,0,0]=2 4494 B10R0.6 C=C(F)CC(=O)CCCCO 1458a_100000695505_100009893438 [0,2,0,0,0,0|1,0,0]=3 4495 B10R0.6 C=C(F)CC(=O)CCCOC 1458a_100000741012_100009893438 [0,2,0,0,0,0|1,0,0]=3 4496 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [0,2,0,0,0,0|1,0,0]=3 4497 B10R0.6 C=C(F)CC(=O)CCOCC 1458a_100000749530_100009893438 [0,2,0,0,0,0|1,0,0]=3 4498 B10R0.6 C=C(F)CC(=O)CCSCC 1458a_100000230768_100009893438 [0,2,0,0,0,0|1,0,0]=3 4499 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [0,2,0,0,0,0|1,0,0]=3 4500 B10R0.6 C=C(F)CC(=O)COCCO 1458a_100000708028_100009893438 [0,2,0,0,0,0|2,0,0]=4 4501 B10R0.6 C=C(F)CC(=O)CSCCC 1458a_100000217233_100009893438 [0,2,0,0,0,0|1,0,0]=3 4502 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 4503 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 4504 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,2,0,0,0,0|0,0,2]=4 4505 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,2,0,0,0,0|0,0,2]=4 4506 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,2,0,0,0,0|0,0,2]=4 4507 B10R0.6 C=CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757094 [0,2,0,0,0,0|0,0,2]=4 4508 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,2,0,0,0,0|0,0,2]=4 4509 B10R0.6 C=CCCCC(=O)CC(=C)F 1458a_100000766728_100009893438 [0,2,0,0,0,0|0,0,2]=4 4510 B10R0.6 CC(=CC(=O)CCCC#N)C 1458a_100000211388_100000211468 [0,2,0,0,0,0|1,0,1]=4 4511 B10R0.6 CC(=CC(=O)CCCC#N)Cl 1458a_200042562850_100000211468 [0,2,0,0,0,0|1,0,1]=4 4512 B10R0.6 CC(=CC(=O)CCCC#N)I 1458a_100025716642_100000211468 [0,2,0,0,0,0|1,0,1]=4 4513 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,2,0,0,0,0|1,0,0]=3 4514 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,2,0,0,0,0|1,0,0]=3 4515 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,2,0,0,0,0|1,0,0]=3 4516 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,2,0,0,0,0|1,0,0]=3 4517 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,2,0,0,0,0|1,0,0]=3 4518 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,2,0,0,0,0|1,0,0]=3 4519 B10R0.6 CC(=CC(=O)NCCCF)C 11a_100015189416_100000211388 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.6 CC(=CC(=O)NCCCF)C 1626a_100015189416_100000211388 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.6 CC(=CC(=O)NCCCF)C 240690a_100015189416_100000211388 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.6 CC(=CC(=O)NCCCF)Cl 11a_100015189416_200042562850 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.6 CC(=CC(=O)NCCCF)Cl 1626a_100015189416_200042562850 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.6 CC(=CC(=O)NCCCF)Cl 240690a_100015189416_200042562850 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.6 CC(=CC(=O)NCCCF)I 11a_100015189416_100025716642 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.6 CC(=CC(=O)NCCCF)I 1626a_100015189416_100025716642 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.6 CC(=CC(=O)NCCCO)Cl 240690a_100000182051_200042562850 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,2,0,0,0,0|0,0,2]=4 4530 B10R0.6 CC/C=C\CC(=O)C=C(C)Cl 1458a_200042562850_100103147603 [0,2,0,0,0,0|0,0,2]=4 4531 B10R0.6 CC/C=C\CC(=O)C=C(C)I 1458a_100025716642_100103147603 [0,2,0,0,0,0|0,0,2]=4 4532 B10R0.6 CC/C=C\CC(=O)C=C(Cl)Cl 1458a_100000137448_100103147603 [0,2,0,0,0,0|0,0,2]=4 4533 B10R0.6 CCC#CCC(=O)C=C(C)C 1458a_100000211388_100009813939 [0,2,0,0,0,0|0,0,2]=4 4534 B10R0.6 CCC#CCC(=O)C=C(C)Cl 1458a_200042562850_100009813939 [0,2,0,0,0,0|0,0,2]=4 4535 B10R0.6 CCC#CCC(=O)C=C(C)I 1458a_100025716642_100009813939 [0,2,0,0,0,0|0,0,2]=4 4536 B10R0.6 CCC#CCC(=O)C=C(Cl)Cl 1458a_100000137448_100009813939 [0,2,0,0,0,0|0,0,2]=4 4537 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|0,0,0]=2 4538 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|0,0,0]=2 4539 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|0,0,0]=2 4540 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,2,0,0,0,0|0,0,0]=2 4541 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,1]=3 4542 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|0,0,1]=3 4543 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|0,0,1]=3 4544 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|0,0,1]=3 4545 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|0,0,2]=4 4546 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|0,0,2]=4 4547 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,2]=4 4548 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|0,0,2]=4 4549 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|0,0,2]=4 4550 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|0,0,2]=4 4551 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|0,0,2]=4 4552 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,2]=4 4553 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,2,0,0,0,0|1,0,1]=4 4554 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|0,0,2]=4 4555 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 4556 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 4557 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 4558 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 4559 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,2,0,0,0,0|1,0,0]=3 4560 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,2,0,0,0,0|1,0,0]=3 4561 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,2,0,0,0,0|1,0,0]=3 4562 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,2,0,0,0,0|1,0,0]=3 4563 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,2,0,0,0,0|1,0,0]=3 4564 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,2,0,0,0,0|1,0,0]=3 4565 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,2,0,0,0,0|1,0,0]=3 4566 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,2,0,0,0,0|1,0,0]=3 4567 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 1626a_100000102301_100000137448 [0,2,0,0,0,0|1,0,0]=3 4568 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 240690a_100000102301_100000137448 [0,2,0,0,0,0|1,0,0]=3 4569 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|1,0,1]=4 4570 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 4571 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 4572 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|1,0,1]=4 4573 B10R0.6 CCCNNC(=O)C=C(C)C 22a_100000740057_100000211388 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.6 CCCNNC(=O)C=C(C)Cl 22a_100000740057_200042562850 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 4576 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,1]=4 4577 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,0,1]=4 4578 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|1,0,1]=4 4579 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,2,0,0,0,0|1,0,1]=4 4580 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,2,0,0,0,0|2,0,0]=4 4581 B10R0.6 CCNCCC(=O)NC(=O)N 2230a_100015525214_100000237605 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,2,0,0,0,0|1,0,0]=3 4583 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,2,0,0,0,0|1,0,0]=3 4584 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,2,0,0,0,0|1,0,0]=3 4585 B10R0.6 CCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215890 [0,2,0,0,0,0|1,0,0]=3 4586 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,1]=4 4587 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,1]=4 4588 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|1,0,1]=4 4589 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,2,0,0,0,0|1,0,0]=3 4590 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,2,0,0,0,0|1,0,0]=3 4591 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,2,0,0,0,0|1,0,0]=3 4592 B10R0.6 CCSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757381 [0,2,0,0,0,0|1,0,0]=3 4593 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,0,1]=4 4594 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,0,1]=4 4595 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|1,0,1]=4 4596 B10R0.6 CCSCCC(=O)NC(=O)N 62a_100000210202_100000237605 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,2,0,0,0,0|1,0,0]=3 4598 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,2,0,0,0,0|1,0,0]=3 4599 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,2,0,0,0,0|1,0,0]=3 4600 B10R0.6 COCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000740836 [0,2,0,0,0,0|1,0,0]=3 4601 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|1,0,1]=4 4602 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|1,0,1]=4 4603 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|1,0,1]=4 4604 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.6 COCCNC(=O)C=C(C)Cl 1626a_100000209980_200042562850 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.6 COCCNC(=O)C=C(C)Cl 240690a_100000209980_200042562850 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.6 COCCNC(=O)C=C(C)I 1626a_100000209980_100025716642 [0,2,0,0,0,0|2,0,0]=4 4609 B10R0.6 COCCNC(=O)C=C(Cl)Cl 1626a_100000209980_100000137448 [0,2,0,0,0,0|2,0,0]=4 4610 B10R0.6 COCCNC(=O)C=C(Cl)Cl 240690a_100000209980_100000137448 [0,2,0,0,0,0|2,0,0]=4 4611 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 4612 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|1,0,1]=4 4613 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 4614 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 4615 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 4616 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 4617 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 4618 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 4619 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,2,0,0,0,0|2,0,0]=4 4620 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.6 CSCCNC(=O)C=C(Cl)Cl 1626a_100020590264_100000137448 [0,2,0,0,0,0|2,0,0]=4 4622 B10R0.6 CSCCNC(=O)C=C(Cl)Cl 240690a_100020590264_100000137448 [0,2,0,0,0,0|2,0,0]=4 4623 B10R0.6 N#CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000211468 [0,2,0,0,0,0|1,0,1]=4 4624 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|1,0,1]=4 4625 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|1,0,1]=4 4626 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|1,0,1]=4 4627 B10R0.6 O=C(C=C(Cl)Cl)CCCCF 1458a_100000137448_100000729493 [0,2,0,0,0,0|1,0,0]=3 4628 B10R0.6 O=C(C=C(Cl)Cl)CCCCO 1458a_100000137448_100000210776 [0,2,0,0,0,0|1,0,0]=3 4629 B10R0.6 O=C(C=C(Cl)Cl)NCCCF 1626a_100015189416_100000137448 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.6 O=C(C=C(Cl)Cl)NCCCF 240690a_100015189416_100000137448 [0,2,0,0,0,0|2,0,0]=4 4631 B10R0.6 O=C(C=C(Cl)Cl)NCCCO 240690a_100000182051_100000137448 [0,2,0,0,0,0|2,0,0]=4 4632 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|1,0,1]=4 4633 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,2,0,0,0,0|0,0,2]=4 4634 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,2,0,0,0,0|0,0,2]=4 4635 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,2,0,0,0,0|0,0,2]=4 4636 B10R0.19 C=CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000210623 [0,2,0,0,0,0|0,0,2]=4 4637 B10R0.19 C=CCC(=O)C(=O)NCCC 1458a_200011297150_100000210623 [0,2,0,0,0,0|1,0,1]=4 4638 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|0,0,0]=2 4639 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|0,0,0]=2 4640 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|0,0,0]=2 4641 B10R0.19 C=CCC(=O)C(O)CCSC 1458a_100000685904_100000210623 [0,2,0,0,0,0|1,0,0]=3 4642 B10R0.19 C=CCC(=O)N(C)CCCC 11a_100000207549_100000210193 [0,2,0,0,0,0|1,0,0]=3 4643 B10R0.19 C=CCC(=O)N(C)CCCC 1626a_100000207549_100000210193 [0,2,0,0,0,0|1,0,0]=3 4644 B10R0.19 C=CCC(=O)N(C)CCCC 240690a_100000207549_100000210193 [0,2,0,0,0,0|1,0,0]=3 4645 B10R0.19 C=CCC(=O)N(C)CCCC 527a_100000207549_100000210193 [0,2,0,0,0,0|1,0,0]=3 4646 B10R0.19 C=CCC(=O)N(C)CCCO 240690a_100000213112_100000210193 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.19 C=CCC(=O)N(C)CCCO 527a_100000213112_100000210193 [0,2,0,0,0,0|2,0,0]=4 4648 B10R0.19 C=CCC(=O)N(C)CCOC 11a_100000743101_100000210193 [0,2,0,0,0,0|2,0,0]=4 4649 B10R0.19 C=CCC(=O)N(C)CCOC 1626a_100000743101_100000210193 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.19 C=CCC(=O)N(C)CCOC 240690a_100000743101_100000210193 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.19 C=CCC(=O)N(C)CCOC 527a_100000743101_100000210193 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.19 C=CCC(=O)N(C)CCSC 11a_100000686725_100000210193 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.19 C=CCC(=O)N(C)CCSC 1626a_100000686725_100000210193 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.19 C=CCC(=O)N(C)CCSC 240690a_100000686725_100000210193 [0,2,0,0,0,0|2,0,0]=4 4655 B10R0.19 C=CCC(=O)N(C)CCSC 527a_100000686725_100000210193 [0,2,0,0,0,0|2,0,0]=4 4656 B10R0.19 C=CCN(C)C(C)CCCC 2230a_100000225617_200011215066 [0,2,0,0,0,0|2,0,0]=4 4657 B10R0.19 C=CCN(C)C(C)CCCC 269982a_100000225617_200011215066 [0,2,0,0,0,0|2,0,0]=4 4658 B10R0.19 C=CCN(C)C(C)CCCC 270004a_100000225617_100000210087 [0,2,0,0,0,0|2,0,0]=4 4659 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|0,0,2]=4 4660 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|0,0,0]=2 4661 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [0,2,0,0,0,0|1,0,0]=3 4662 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [0,2,0,0,0,0|1,0,0]=3 4663 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [0,2,0,0,0,0|1,0,0]=3 4664 B10R0.19 CC=CC(=O)N(C)CCCO 240690a_100000213112_100000210699 [0,2,0,0,0,0|2,0,0]=4 4665 B10R0.19 CC=CC(=O)N(C)CCOC 11a_100000743101_100000210699 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.19 CC=CC(=O)N(C)CCOC 1626a_100000743101_100000210699 [0,2,0,0,0,0|2,0,0]=4 4667 B10R0.19 CC=CC(=O)N(C)CCOC 240690a_100000743101_100000210699 [0,2,0,0,0,0|2,0,0]=4 4668 B10R0.19 CC=CC(=O)N(C)CCSC 11a_100000686725_100000210699 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.19 CC=CC(=O)N(C)CCSC 1626a_100000686725_100000210699 [0,2,0,0,0,0|2,0,0]=4 4670 B10R0.19 CC=CC(=O)N(C)CCSC 240690a_100000686725_100000210699 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|0,0,0]=2 4672 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|0,0,0]=2 4673 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|0,0,0]=2 4674 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,2,0,0,0,0|0,0,2]=4 4675 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,2,0,0,0,0|0,0,2]=4 4676 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|0,0,2]=4 4677 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|0,0,2]=4 4678 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|0,0,2]=4 4679 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|0,0,2]=4 4680 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|0,0,2]=4 4681 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|0,0,2]=4 4682 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|0,0,2]=4 4683 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|0,0,2]=4 4684 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|0,0,2]=4 4685 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|0,0,2]=4 4686 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|1,0,1]=4 4687 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,2,0,0,0,0|0,0,2]=4 4688 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|0,0,2]=4 4689 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|0,0,2]=4 4690 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|0,0,2]=4 4691 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|0,0,2]=4 4692 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|0,0,2]=4 4693 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|1,0,1]=4 4694 B10R0.19 CCCCN(C)C(=O)C=CBr 1626a_100000207549_100016273825 [0,2,0,0,0,0|1,0,0]=3 4695 B10R0.19 CCCCN(C)C(=O)C=CBr 240690a_100000207549_100016273825 [0,2,0,0,0,0|1,0,0]=3 4696 B10R0.19 CCCCN(C)C(=O)C=CCl 11a_100000207549_200016279998 [0,2,0,0,0,0|1,0,0]=3 4697 B10R0.19 CCCCN(C)C(=O)C=CCl 1626a_100000207549_200016279998 [0,2,0,0,0,0|1,0,0]=3 4698 B10R0.19 CCCCN(C)C(=O)C=CCl 240690a_100000207549_200016279998 [0,2,0,0,0,0|1,0,0]=3 4699 B10R0.19 CCCCN(C)C(=O)C=CI 1626a_100000207549_100016256311 [0,2,0,0,0,0|1,0,0]=3 4700 B10R0.19 CN(CCCO)C(=O)C=CBr 240690a_100000213112_100016273825 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.19 CN(CCCO)C(=O)C=CCl 240690a_100000213112_200016279998 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.19 COCCN(C)C(=O)C=CBr 1626a_100000743101_100016273825 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.19 COCCN(C)C(=O)C=CBr 240690a_100000743101_100016273825 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.19 COCCN(C)C(=O)C=CCl 11a_100000743101_200016279998 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.19 COCCN(C)C(=O)C=CCl 1626a_100000743101_200016279998 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.19 COCCN(C)C(=O)C=CCl 240690a_100000743101_200016279998 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.19 COCCN(C)C(=O)C=CI 1626a_100000743101_100016256311 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.19 CSCCN(C)C(=O)C=CBr 1626a_100000686725_100016273825 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.19 CSCCN(C)C(=O)C=CBr 240690a_100000686725_100016273825 [0,2,0,0,0,0|2,0,0]=4 4710 B10R0.19 CSCCN(C)C(=O)C=CCl 11a_100000686725_200016279998 [0,2,0,0,0,0|2,0,0]=4 4711 B10R0.19 CSCCN(C)C(=O)C=CCl 1626a_100000686725_200016279998 [0,2,0,0,0,0|2,0,0]=4 4712 B10R0.19 CSCCN(C)C(=O)C=CCl 240690a_100000686725_200016279998 [0,2,0,0,0,0|2,0,0]=4 4713 B10R0.19 CSCCN(C)C(=O)C=CI 1626a_100000686725_100016256311 [0,2,0,0,0,0|2,0,0]=4 4714 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,2,0,0,0,0|0,0,2]=4 4715 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,2,0,0,0,0|0,0,2]=4 4716 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [0,2,0,0,0,0|0,0,2]=4 4717 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [0,2,0,0,0,0|0,0,2]=4 4718 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,2,0,0,0,0|0,0,2]=4 4719 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,2,0,0,0,0|0,0,2]=4 4720 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,2,0,0,0,0|0,0,2]=4 4721 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,2,0,0,0,0|0,0,2]=4 4722 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|0,0,2]=4 4723 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|0,0,2]=4 4724 B10R0.83 C#CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000731252 [0,2,0,0,0,0|0,0,2]=4 4725 B10R0.83 C#CCCCC(=O)C(C)C=C 1458a_100011216780_100000731252 [0,2,0,0,0,0|0,0,2]=4 4726 B10R0.83 C/C=C(\C)/C(=O)C/C=C\CC 1458a_100020587367_100103147603 [0,2,0,0,0,0|0,0,2]=4 4727 B10R0.83 C/C=C(\C)/C(=O)CC#CCC 1458a_100020587367_100009813939 [0,2,0,0,0,0|0,0,2]=4 4728 B10R0.83 C/C=C(\C)/C(=O)CCCC#N 1458a_100020587367_100000211468 [0,2,0,0,0,0|1,0,1]=4 4729 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|0,0,0]=2 4730 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [0,2,0,0,0,0|1,0,0]=3 4731 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [0,2,0,0,0,0|1,0,0]=3 4732 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,2,0,0,0,0|1,0,0]=3 4733 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,2,0,0,0,0|1,0,0]=3 4734 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|1,0,0]=3 4735 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,2,0,0,0,0|1,0,0]=3 4736 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,2,0,0,0,0|1,0,0]=3 4737 B10R0.83 C/C=C(\C)/C(=O)NCCCF 11a_100015189416_100020587367 [0,2,0,0,0,0|2,0,0]=4 4738 B10R0.83 C/C=C(\C)/C(=O)NCCCF 1626a_100015189416_100020587367 [0,2,0,0,0,0|2,0,0]=4 4739 B10R0.83 C/C=C(\C)/C(=O)NCCOC 1626a_100000209980_100020587367 [0,2,0,0,0,0|2,0,0]=4 4740 B10R0.83 C/C=C(\C)/C(=O)NCCSC 11a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 4741 B10R0.83 C/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 4742 B10R0.83 C/C=C(\C)/C(=O)NNCCC 22a_100000740057_100020587367 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,2,0,0,0,0|1,0,1]=4 4744 B10R0.83 C=C(CO)C(=O)NNCCC 22a_100000740057_200000705526 [0,2,0,0,0,0|2,0,0]=4 4745 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|0,0,0]=2 4746 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,2,0,0,0,0|0,0,0]=2 4747 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,2,0,0,0,0|0,0,0]=2 4748 B10R0.83 C=CC(=O)N(C)CCCCO 240690a_100000717598_200121576911 [0,2,0,0,0,0|1,0,0]=3 4749 B10R0.83 C=CC(=O)N(C)CCCOC 1626a_100000224831_100000185746 [0,2,0,0,0,0|1,0,0]=3 4750 B10R0.83 C=CC(=O)N(C)CCCOC 240690a_100000224831_200121576911 [0,2,0,0,0,0|1,0,0]=3 4751 B10R0.83 C=CC(C)C(=O)C/C=C\CC 1458a_100011216780_100103147603 [0,2,0,0,0,0|0,0,2]=4 4752 B10R0.83 C=CC(C)C(=O)CC#CCC 1458a_100011216780_100009813939 [0,2,0,0,0,0|0,0,2]=4 4753 B10R0.83 C=CC(C)C(=O)CCCC#N 1458a_100011216780_100000211468 [0,2,0,0,0,0|1,0,1]=4 4754 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|0,0,0]=2 4755 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,2,0,0,0,0|1,0,0]=3 4756 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|1,0,0]=3 4757 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|1,0,0]=3 4758 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|1,0,0]=3 4759 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,2,0,0,0,0|1,0,0]=3 4760 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 4761 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 4762 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 4763 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 4764 B10R0.83 C=CC(C)C(=O)NCCCF 11a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4765 B10R0.83 C=CC(C)C(=O)NCCCF 1626a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4766 B10R0.83 C=CC(C)C(=O)NCCCF 240690a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4767 B10R0.83 C=CC(C)C(=O)NCCCF 527a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4768 B10R0.83 C=CC(C)C(=O)NCCCO 240690a_100000182051_100011216780 [0,2,0,0,0,0|2,0,0]=4 4769 B10R0.83 C=CC(C)C(=O)NCCCO 527a_100000182051_100011216780 [0,2,0,0,0,0|2,0,0]=4 4770 B10R0.83 C=CC(C)C(=O)NCCOC 1626a_100000209980_100011216780 [0,2,0,0,0,0|2,0,0]=4 4771 B10R0.83 C=CC(C)C(=O)NCCOC 240690a_100000209980_100011216780 [0,2,0,0,0,0|2,0,0]=4 4772 B10R0.83 C=CC(C)C(=O)NCCOC 527a_100000209980_100011216780 [0,2,0,0,0,0|2,0,0]=4 4773 B10R0.83 C=CC(C)C(=O)NCCSC 11a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.83 C=CC(C)C(=O)NCCSC 1626a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 4775 B10R0.83 C=CC(C)C(=O)NCCSC 240690a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 4776 B10R0.83 C=CC(C)C(=O)NCCSC 527a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 4777 B10R0.83 C=CC(C)C(=O)NNCCC 22a_100000740057_100011216780 [0,2,0,0,0,0|2,0,0]=4 4778 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [0,2,0,0,0,0|1,0,1]=4 4779 B10R0.83 C=CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000757094 [0,2,0,0,0,0|0,0,2]=4 4780 B10R0.83 C=CCCCC(=O)C(C)C=C 1458a_100011216780_100000757094 [0,2,0,0,0,0|0,0,2]=4 4781 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 34a_100015455354_100000210210 [0,2,0,0,0,0|1,0,1]=4 4782 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7a_100015455354_100000210211 [0,2,0,0,0,0|1,0,1]=4 4783 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|0,0,1]=3 4784 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|0,0,2]=4 4785 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|0,0,2]=4 4786 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|0,0,2]=4 4787 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|0,0,2]=4 4788 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,2]=4 4789 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|0,0,2]=4 4790 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|0,0,2]=4 4791 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|0,0,2]=4 4792 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 4793 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 4794 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 4795 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 4796 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|0,0,2]=4 4797 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|0,0,2]=4 4798 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,1]=4 4799 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|1,0,1]=4 4800 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,1]=4 4801 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 4802 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 4803 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 4805 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 4806 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 4807 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 4808 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,1]=4 4809 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,1]=4 4810 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|1,0,1]=4 4811 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|1,0,1]=4 4812 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 4813 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 4814 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 4815 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 4816 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 4817 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 4818 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 4819 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|0,0,2]=4 4820 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|0,0,2]=4 4821 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|1,0,1]=4 4822 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|1,0,1]=4 4823 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,1]=4 4824 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,1]=4 4825 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|1,0,1]=4 4826 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|1,0,1]=4 4827 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|1,0,1]=4 4828 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|1,0,1]=4 4829 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|0,0,2]=4 4830 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|1,0,1]=4 4831 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|1,0,1]=4 4832 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 4834 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,1]=4 4835 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 4836 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|1,0,1]=4 4837 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|1,0,1]=4 4838 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|0,0,2]=4 4839 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|0,0,2]=4 4840 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|0,0,2]=4 4841 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|1,0,1]=4 4842 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|1,0,1]=4 4843 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 4844 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 4845 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 4846 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|1,0,1]=4 4847 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|1,0,1]=4 4848 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,1]=4 4849 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,1]=4 4850 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|1,0,1]=4 4851 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|1,0,1]=4 4852 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|1,0,1]=4 4853 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|1,0,1]=4 4854 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 4855 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|1,0,1]=4 4856 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|1,0,1]=4 4857 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|1,0,1]=4 4858 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,1]=4 4859 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,1]=4 4861 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 4862 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 4863 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|1,0,1]=4 4864 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|1,0,1]=4 4865 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|1,0,1]=4 4866 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,1]=4 4867 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|1,0,1]=4 4868 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 4869 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|1,0,1]=4 4870 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|1,0,1]=4 4871 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,1]=4 4872 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,1]=4 4873 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,1]=4 4874 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|0,0,2]=4 4875 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|0,0,2]=4 4876 B10R0.91 C#CCCCC(=O)C/C=C/C 1458a_100000690238_100102629194 [0,2,0,0,0,0|0,0,2]=4 4877 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [0,2,0,0,0,0|0,0,2]=4 4878 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,2,0,0,0,0|0,0,2]=4 4879 B10R0.91 C#CCCCC(=O)C=COC 1458a_100016268678_100000731252 [0,2,0,0,0,0|0,0,2]=4 4880 B10R0.91 C#CCCCC(=O)CC=CC 1458a_100000690238_100000070051 [0,2,0,0,0,0|0,0,2]=4 4881 B10R0.91 C#CCCCC(=O)CC=CC 1458a_100121576822_100000731252 [0,2,0,0,0,0|0,0,2]=4 4882 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000690238_100000754431 [0,2,0,0,0,0|0,0,2]=4 4883 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000749702_100000731252 [0,2,0,0,0,0|0,0,2]=4 4884 B10R0.91 C#CCCCC(=O)NCC=C 1626a_100020586998_100000690238 [0,2,0,0,0,0|0,0,2]=4 4885 B10R0.91 C#CCCCC(=O)NCC=C 240690a_100020586998_100000690238 [0,2,0,0,0,0|0,0,2]=4 4886 B10R0.91 C#CCCCC(=O)NCC=C 527a_100020586998_100000690238 [0,2,0,0,0,0|0,0,2]=4 4887 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,2,0,0,0,0|0,0,2]=4 4888 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,2,0,0,0,0|0,0,2]=4 4889 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,2,0,0,0,0|0,0,2]=4 4890 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,2,0,0,0,0|0,0,2]=4 4891 B10R0.91 C/C=C/CC(=O)C#CCCC 1458a_200011218047_100102629194 [0,2,0,0,0,0|0,0,2]=4 4892 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [0,2,0,0,0,0|0,0,2]=4 4893 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [0,2,0,0,0,0|0,0,2]=4 4894 B10R0.91 C/C=C/CC(=O)CCCC#N 1458a_100000075515_100102629194 [0,2,0,0,0,0|1,0,1]=4 4895 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|0,0,0]=2 4896 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,2,0,0,0,0|1,0,0]=3 4897 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,2,0,0,0,0|1,0,0]=3 4898 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,2,0,0,0,0|1,0,0]=3 4899 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|1,0,0]=3 4900 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,2,0,0,0,0|1,0,0]=3 4901 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|1,0,0]=3 4902 B10R0.91 C/C=C/CC(=O)COCCO 1458a_100000708028_100102629194 [0,2,0,0,0,0|2,0,0]=4 4903 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,2,0,0,0,0|1,0,0]=3 4904 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.91 C=CC=CC(=O)C/C=C\CC 1458a_100016291481_100103147603 [0,2,0,0,0,0|0,0,2]=4 4906 B10R0.91 C=CC=CC(=O)CC#CCC 1458a_100016291481_100009813939 [0,2,0,0,0,0|0,0,2]=4 4907 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [0,2,0,0,0,0|1,0,1]=4 4908 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,2,0,0,0,0|0,0,2]=4 4909 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,2,0,0,0,0|0,0,0]=2 4910 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,2,0,0,0,0|1,0,0]=3 4911 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,2,0,0,0,0|1,0,0]=3 4912 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,2,0,0,0,0|1,0,0]=3 4913 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,2,0,0,0,0|1,0,0]=3 4915 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,2,0,0,0,0|1,0,0]=3 4916 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.91 C=CC=CC(=O)NNCCC 22a_100000740057_100016291481 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.91 C=CCCC(=O)C#CCCC 1458a_200011218047_100000754431 [0,2,0,0,0,0|0,0,2]=4 4921 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,2,0,0,0,0|0,0,2]=4 4922 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,2,0,0,0,0|0,0,2]=4 4923 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [0,2,0,0,0,0|0,0,2]=4 4924 B10R0.91 C=CCCC(=O)CC#CCC 1458a_100000749702_100009813939 [0,2,0,0,0,0|0,0,2]=4 4925 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000075515_100000754431 [0,2,0,0,0,0|1,0,1]=4 4926 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000749702_100000211468 [0,2,0,0,0,0|1,0,1]=4 4927 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|0,0,0]=2 4928 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|0,0,0]=2 4929 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,2,0,0,0,0|1,0,0]=3 4930 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|1,0,0]=3 4931 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|1,0,0]=3 4932 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|1,0,0]=3 4933 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|1,0,0]=3 4934 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|1,0,0]=3 4935 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|1,0,0]=3 4936 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|1,0,0]=3 4937 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|1,0,0]=3 4938 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|1,0,0]=3 4939 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|1,0,0]=3 4940 B10R0.91 C=CCCC(=O)COCCO 1458a_100000708028_100000754431 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,2,0,0,0,0|1,0,0]=3 4942 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 4943 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 4944 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 4945 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 4946 B10R0.91 C=CCCC(=O)NCCCF 11a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.91 C=CCCC(=O)NCCCF 1626a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.91 C=CCCC(=O)NCCCF 240690a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.91 C=CCCC(=O)NCCCF 527a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 4950 B10R0.91 C=CCCC(=O)NCCCO 240690a_100000182051_100000749702 [0,2,0,0,0,0|2,0,0]=4 4951 B10R0.91 C=CCCC(=O)NCCCO 527a_100000182051_100000749702 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.91 C=CCCC(=O)NCCOC 1626a_100000209980_100000749702 [0,2,0,0,0,0|2,0,0]=4 4953 B10R0.91 C=CCCC(=O)NCCOC 240690a_100000209980_100000749702 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.91 C=CCCC(=O)NCCOC 527a_100000209980_100000749702 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 4956 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 4957 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 4958 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 4959 B10R0.91 C=CCCC(=O)NNCCC 22a_100000740057_100000749702 [0,2,0,0,0,0|2,0,0]=4 4960 B10R0.91 C=CCCCC(=O)C/C=C/C 1458a_100000766728_100102629194 [0,2,0,0,0,0|0,0,2]=4 4961 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,2,0,0,0,0|0,0,2]=4 4962 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,2,0,0,0,0|0,0,2]=4 4963 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100000766728_100000070051 [0,2,0,0,0,0|0,0,2]=4 4964 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100121576822_100000757094 [0,2,0,0,0,0|0,0,2]=4 4965 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000749702_100000757094 [0,2,0,0,0,0|0,0,2]=4 4966 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000766728_100000754431 [0,2,0,0,0,0|0,0,2]=4 4967 B10R0.91 C=CCCCC(=O)NCC=C 1626a_100020586998_100000766728 [0,2,0,0,0,0|0,0,2]=4 4968 B10R0.91 C=CCCCC(=O)NCC=C 240690a_100020586998_100000766728 [0,2,0,0,0,0|0,0,2]=4 4969 B10R0.91 C=CCCCC(=O)NCC=C 527a_100020586998_100000766728 [0,2,0,0,0,0|0,0,2]=4 4970 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.91 C=CCNC(=O)C#CCCC 240690a_100020586998_200011218047 [0,2,0,0,0,0|0,0,2]=4 4975 B10R0.91 C=CCNC(=O)C/C=C/CC 1626a_100020586998_100016274230 [0,2,0,0,0,0|0,0,2]=4 4976 B10R0.91 C=CCNC(=O)C/C=C/CC 240690a_100020586998_100016274230 [0,2,0,0,0,0|0,0,2]=4 4977 B10R0.91 C=CCNC(=O)C/C=C/CC 527a_100020586998_100016274230 [0,2,0,0,0,0|0,0,2]=4 4978 B10R0.91 C=CCNC(=O)C=CCCC 1626a_100020586998_100000212230 [0,2,0,0,0,0|0,0,2]=4 4979 B10R0.91 C=CCNC(=O)C=CCCC 240690a_100020586998_100000212230 [0,2,0,0,0,0|0,0,2]=4 4980 B10R0.91 C=CCNC(=O)CCCC#N 1626a_100020586998_100000075515 [0,2,0,0,0,0|1,0,1]=4 4981 B10R0.91 C=CCNC(=O)CCCC#N 240690a_100020586998_100000075515 [0,2,0,0,0,0|1,0,1]=4 4982 B10R0.91 C=CCNC(=O)CCCC#N 527a_100020586998_100000075515 [0,2,0,0,0,0|1,0,1]=4 4983 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|0,0,0]=2 4984 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|0,0,0]=2 4985 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|0,0,0]=2 4986 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,2,0,0,0,0|1,0,0]=3 4987 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,2,0,0,0,0|1,0,0]=3 4988 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,2,0,0,0,0|1,0,0]=3 4989 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,2,0,0,0,0|1,0,0]=3 4990 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,2,0,0,0,0|1,0,0]=3 4991 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,2,0,0,0,0|1,0,0]=3 4992 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,2,0,0,0,0|1,0,0]=3 4993 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,2,0,0,0,0|1,0,0]=3 4994 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,2,0,0,0,0|1,0,0]=3 4995 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,2,0,0,0,0|1,0,0]=3 4996 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,2,0,0,0,0|1,0,0]=3 4997 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,2,0,0,0,0|1,0,0]=3 4998 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,2,0,0,0,0|1,0,0]=3 4999 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,2,0,0,0,0|1,0,0]=3 5000 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,2,0,0,0,0|1,0,0]=3 5001 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,2,0,0,0,0|1,0,0]=3 5002 B10R0.91 C=CCNC(=O)CCSCF 62a_100011222895_100015361967 [0,2,0,0,0,0|2,0,0]=4 5003 B10R0.91 C=CCNC(=O)CCSCF 62a_100015361967_100011222895 [0,2,0,0,0,0|2,0,0]=4 5004 B10R0.91 C=CCNC(=O)CNCCO 2230a_100016997473_100000183597 [0,2,0,0,0,0|2,0,0]=4 5005 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,2,0,0,0,0|1,0,0]=3 5006 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,2,0,0,0,0|1,0,0]=3 5007 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,2,0,0,0,0|1,0,0]=3 5008 B10R0.91 C=CCNC(=O)COCCO 1626a_100020586998_100000708028 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.91 C=CCNC(=O)COCCO 240690a_100020586998_100000708028 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,2,0,0,0,0|1,0,0]=3 5011 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,2,0,0,0,0|1,0,0]=3 5012 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,2,0,0,0,0|1,0,0]=3 5013 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,2,0,0,0,0|1,0,0]=3 5014 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,2,0,0,0,0|1,0,0]=3 5015 B10R0.91 C=CCNC(=O)CSCCF 62a_100000183597_100011217306 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.91 C=CCNC(=O)CSCCF 62a_100011217306_100000183597 [0,2,0,0,0,0|2,0,0]=4 5017 B10R0.91 C=CCNC(=O)CSCCO 62a_100000183597_100000211926 [0,2,0,0,0,0|2,0,0]=4 5018 B10R0.91 C=CCNC(=O)CSCCO 62a_100000211926_100000183597 [0,2,0,0,0,0|2,0,0]=4 5019 B10R0.91 C=CCNC(=O)CSCOC 62a_100000183597_100000766300 [0,2,0,0,0,0|2,0,0]=4 5020 B10R0.91 C=CCNC(=O)CSCOC 62a_100000766300_100000183597 [0,2,0,0,0,0|2,0,0]=4 5021 B10R0.91 C=CCNC(=O)CSCSC 62a_100000183597_100011218213 [0,2,0,0,0,0|2,0,0]=4 5022 B10R0.91 C=CCNC(=O)CSCSC 62a_100011218213_100000183597 [0,2,0,0,0,0|2,0,0]=4 5023 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,2,0,0,0,0|1,0,0]=3 5024 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,2,0,0,0,0|1,0,0]=3 5025 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,2,0,0,0,0|1,0,0]=3 5026 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,2,0,0,0,0|1,0,0]=3 5027 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,2,0,0,0,0|1,0,0]=3 5028 B10R0.91 C=CCNC(=O)NCCCF 2708a_100015189416_100020586998 [0,2,0,0,0,0|2,0,0]=4 5029 B10R0.91 C=CCNC(=O)NCCCF 273464a_100015189416_100020586998 [0,2,0,0,0,0|2,0,0]=4 5030 B10R0.91 C=CCNC(=O)NCCCF 273464a_100020586998_100015189416 [0,2,0,0,0,0|2,0,0]=4 5031 B10R0.91 C=CCNC(=O)NCCCF 512a_100015189416_100020586998 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.91 C=CCNC(=O)NCCCF 512a_100020586998_100015189416 [0,2,0,0,0,0|2,0,0]=4 5033 B10R0.91 C=CCNC(=O)NCCCO 273464a_100000182051_100020586998 [0,2,0,0,0,0|2,0,0]=4 5034 B10R0.91 C=CCNC(=O)NCCCO 273464a_100020586998_100000182051 [0,2,0,0,0,0|2,0,0]=4 5035 B10R0.91 C=CCNC(=O)NCCCO 512a_100020586998_100000182051 [0,2,0,0,0,0|2,0,0]=4 5036 B10R0.91 C=CCNC(=O)NCCOC 273464a_100000209980_100020586998 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.91 C=CCNC(=O)NCCOC 273464a_100020586998_100000209980 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.91 C=CCNC(=O)NCCSC 2708a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020586998_100020590264 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.91 C=CCNC(=O)NCCSC 512a_100020586998_100020590264 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.91 C=CCNC(=O)NCCSC 512a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.91 C=CCNC(=O)NNCCC 273464a_100020586998_100000740057 [0,2,0,0,0,0|2,0,0]=4 5044 B10R0.91 C=CCNC(=O)NNCCC 512a_100000740057_100020586998 [0,2,0,0,0,0|2,0,0]=4 5045 B10R0.91 C=CCNC(=O)NNCCC 512a_100020586998_100000740057 [0,2,0,0,0,0|2,0,0]=4 5046 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,2,0,0,0,0|1,0,1]=4 5047 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,2,0,0,0,0|1,0,1]=4 5048 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,2,0,0,0,0|1,0,1]=4 5049 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [0,2,0,0,0,0|2,0,0]=4 5050 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [0,2,0,0,0,0|2,0,0]=4 5051 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [0,2,0,0,0,0|2,0,0]=4 5052 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [0,2,0,0,0,0|2,0,0]=4 5053 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|1,0,0]=3 5054 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [0,2,0,0,0,0|2,0,0]=4 5055 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|1,0,0]=3 5056 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|1,0,0]=3 5057 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [0,2,0,0,0,0|2,0,0]=4 5058 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 5066 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,0,0,0,0|1,0,1]=4 5067 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 5068 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,2,0,0,0,0|1,0,1]=4 5069 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,2,0,0,0,0|1,0,1]=4 5070 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,2,0,0,0,0|0,0,2]=4 5071 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [0,2,0,0,0,0|0,0,2]=4 5072 B10R0.91 CC=CCC(=O)C#CCCC 1458a_200011218047_100000070051 [0,2,0,0,0,0|0,0,2]=4 5073 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [0,2,0,0,0,0|0,0,2]=4 5074 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [0,2,0,0,0,0|0,0,2]=4 5075 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [0,2,0,0,0,0|0,0,2]=4 5076 B10R0.91 CC=CCC(=O)CC#CCC 1458a_100121576822_100009813939 [0,2,0,0,0,0|0,0,2]=4 5077 B10R0.91 CC=CCC(=O)CCCC#N 1458a_100000075515_100000070051 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.91 CC=CCC(=O)CCCC#N 1458a_100121576822_100000211468 [0,2,0,0,0,0|1,0,1]=4 5079 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|0,0,0]=2 5080 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|0,0,0]=2 5081 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,2,0,0,0,0|1,0,0]=3 5082 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,2,0,0,0,0|1,0,0]=3 5083 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,2,0,0,0,0|1,0,0]=3 5084 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,2,0,0,0,0|1,0,0]=3 5085 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,2,0,0,0,0|1,0,0]=3 5086 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,2,0,0,0,0|1,0,0]=3 5087 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|1,0,0]=3 5088 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|1,0,0]=3 5089 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,2,0,0,0,0|1,0,0]=3 5090 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,2,0,0,0,0|1,0,0]=3 5091 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|1,0,0]=3 5092 B10R0.91 CC=CCC(=O)COCCO 1458a_100000708028_100000070051 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,2,0,0,0,0|1,0,0]=3 5094 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 5095 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 5096 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 5097 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 5098 B10R0.91 CC=CCC(=O)NCCCF 11a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 5099 B10R0.91 CC=CCC(=O)NCCCF 1626a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 5100 B10R0.91 CC=CCC(=O)NCCCF 240690a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.91 CC=CCC(=O)NCCCF 527a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.91 CC=CCC(=O)NCCCO 240690a_100000182051_100121576822 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.91 CC=CCC(=O)NCCCO 527a_100000182051_100121576822 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.91 CC=CCC(=O)NCCOC 1626a_100000209980_100121576822 [0,2,0,0,0,0|2,0,0]=4 5105 B10R0.91 CC=CCC(=O)NCCOC 240690a_100000209980_100121576822 [0,2,0,0,0,0|2,0,0]=4 5106 B10R0.91 CC=CCC(=O)NCCOC 527a_100000209980_100121576822 [0,2,0,0,0,0|2,0,0]=4 5107 B10R0.91 CC=CCC(=O)NCCSC 11a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.91 CC=CCC(=O)NCCSC 1626a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5109 B10R0.91 CC=CCC(=O)NCCSC 240690a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5110 B10R0.91 CC=CCC(=O)NCCSC 527a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.91 CC=CCC(=O)NNCCC 22a_100000740057_100121576822 [0,2,0,0,0,0|2,0,0]=4 5112 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,2,0,0,0,0|0,0,1]=3 5114 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|0,0,2]=4 5115 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,2,0,0,0,0|0,0,2]=4 5116 B10R0.91 CCC#CCC(=O)C=COC 1458a_100016268678_100009813939 [0,2,0,0,0,0|0,0,2]=4 5117 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,2,0,0,0,0|0,0,2]=4 5118 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,2,0,0,0,0|1,0,1]=4 5119 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|0,0,0]=2 5120 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|1,0,0]=3 5121 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|1,0,0]=3 5122 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|1,0,0]=3 5123 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|1,0,0]=3 5124 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|1,0,0]=3 5125 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|1,0,0]=3 5126 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|1,0,0]=3 5127 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|1,0,0]=3 5128 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,2,0,0,0,0|2,0,0]=4 5133 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 5135 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 5136 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.91 CCC=CC(=O)NNCCC 22a_100000740057_100000212282 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,2,0,0,0,0|0,0,2]=4 5139 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|0,0,0]=2 5140 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|0,0,2]=4 5141 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|0,0,2]=4 5142 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|0,0,2]=4 5143 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|0,0,2]=4 5144 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|0,0,2]=4 5145 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|0,0,2]=4 5146 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,2]=4 5147 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,2]=4 5148 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|0,0,2]=4 5149 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|0,0,2]=4 5150 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|0,0,2]=4 5151 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|0,0,2]=4 5152 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|0,0,2]=4 5153 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|0,0,2]=4 5154 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|0,0,2]=4 5155 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|0,0,2]=4 5156 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|0,0,2]=4 5157 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|0,0,2]=4 5158 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,2,0,0,0,0|0,0,2]=4 5159 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,2,0,0,0,0|0,0,2]=4 5160 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 5161 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 5162 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 5163 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 5164 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 5165 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 5166 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 5167 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 5168 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|0,0,2]=4 5169 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|0,0,2]=4 5170 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|0,0,2]=4 5171 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|1,0,0]=3 5172 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|1,0,0]=3 5173 B10R0.91 CCCNNC(=O)C=COC 22a_100000740057_100016268678 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,2,0,0,0,0|1,0,0]=3 5175 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|1,0,0]=3 5176 B10R0.91 COC=CC(=O)CCCC#N 1458a_100016268678_100000211468 [0,2,0,0,0,0|1,0,1]=4 5177 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,2,0,0,0,0|1,0,0]=3 5178 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,2,0,0,0,0|1,0,0]=3 5179 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,2,0,0,0,0|1,0,0]=3 5180 B10R0.91 COC=CC(=O)NCCCF 1626a_100015189416_100016268678 [0,2,0,0,0,0|2,0,0]=4 5181 B10R0.91 COC=CC(=O)NCCCF 240690a_100015189416_100016268678 [0,2,0,0,0,0|2,0,0]=4 5182 B10R0.91 COC=CC(=O)NCCCO 240690a_100000182051_100016268678 [0,2,0,0,0,0|2,0,0]=4 5183 B10R0.91 COC=CC(=O)NCCOC 1626a_100000209980_100016268678 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.91 COC=CC(=O)NCCOC 240690a_100000209980_100016268678 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.91 COC=CC(=O)NCCSC 1626a_100020590264_100016268678 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.91 COC=CC(=O)NCCSC 240690a_100020590264_100016268678 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [0,2,0,0,0,0|0,0,2]=4 5188 B10R0.108 C=CC(=O)COC(=O)CCC 1458a_100000185746_100000034017 [0,2,0,0,0,0|0,0,1]=3 5189 B10R0.108 C=CC(=O)NCC(=O)CCC 1458a_200011222540_100000210303 [0,2,0,0,0,0|0,0,1]=3 5190 B10R0.108 C=CC(=O)NCC(=O)CCF 1458a_200011222540_100011217306 [0,2,0,0,0,0|1,0,1]=4 5191 B10R0.108 C=CC(=O)NCC(=O)CCO 1458a_200011222540_100000211926 [0,2,0,0,0,0|1,0,1]=4 5192 B10R0.108 C=CC(=O)NCC(=O)NCC 11a_100015525214_200011222540 [0,2,0,0,0,0|1,0,1]=4 5193 B10R0.108 C=CC(=O)NCC(=O)NCC 1626a_100016988866_100000185746 [0,2,0,0,0,0|1,0,1]=4 5194 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100015525214_200011222540 [0,2,0,0,0,0|1,0,1]=4 5195 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100016988866_200121576911 [0,2,0,0,0,0|1,0,1]=4 5196 B10R0.108 C=CC(=O)NCC(=O)NCC 527a_100015525214_200011222540 [0,2,0,0,0,0|1,0,1]=4 5197 B10R0.108 C=CC(=O)NCC(O)COC 240690a_100000756049_200121576911 [0,2,0,0,0,0|1,0,0]=3 5198 B10R0.108 C=CC(=O)NNC(=O)CCC 22a_100000189770_100000185746 [0,2,0,0,0,0|1,0,1]=4 5199 B10R0.108 C=CC(C)COC(C)CCC 34a_100011215527_100000766640 [0,2,0,0,0,0|1,0,1]=4 5200 B10R0.108 C=CC(C)COC(C)CCC 7a_100011215527_100000766640 [0,2,0,0,0,0|1,0,1]=4 5201 B10R0.108 C=CC(C)OCC(C)CCC 34a_100000695699_100011216630 [0,2,0,0,0,0|1,0,1]=4 5202 B10R0.108 C=CC(C)SCC(C)CCC 62a_100011215867_100011216630 [0,2,0,0,0,0|1,0,1]=4 5203 B10R0.108 C=CC(O)CNC(C)CCC 2230a_100000741246_100000730141 [0,2,0,0,0,0|0,0,2]=4 5204 B10R0.108 C=CC(O)COC(C)CCC 34a_100000764384_100000730141 [0,2,0,0,0,0|0,0,2]=4 5205 B10R0.108 C=CC(O)COC(C)CCC 7a_100000764384_100000730141 [0,2,0,0,0,0|0,0,2]=4 5206 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000730141_100000766640 [0,2,0,0,0,0|0,0,2]=4 5207 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000766640_100000730141 [0,2,0,0,0,0|0,0,2]=4 5208 B10R0.108 C=CCC(=O)CCC(=O)NC 1458a_100011309844_100000210623 [0,2,0,0,0,0|1,0,1]=4 5209 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,2,0,0,0,0|1,0,1]=4 5210 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,2,0,0,0,0|0,0,0]=2 5211 B10R0.108 C=CCC(=O)CCN(C)CC 1458a_100000755305_100000210623 [0,2,0,0,0,0|1,0,0]=3 5212 B10R0.108 C=CCC(=O)CCS(=O)CC 1458a_100011387550_100000210623 [0,2,0,0,0,0|1,0,0]=3 5213 B10R0.108 C=CCC(=O)CNC(=O)CC 1458a_100000194589_100000210623 [0,2,0,0,0,0|1,0,1]=4 5214 B10R0.108 C=CCC(=O)NCC(C)CC 11a_100020588543_100000210193 [0,2,0,0,0,0|1,0,0]=3 5215 B10R0.108 C=CCC(=O)NCC(C)CC 1626a_100020588543_100000210193 [0,2,0,0,0,0|1,0,0]=3 5216 B10R0.108 C=CCC(=O)NCC(C)CC 240690a_100020588543_100000210193 [0,2,0,0,0,0|1,0,0]=3 5217 B10R0.108 C=CCC(=O)NCC(C)CC 527a_100020588543_100000210193 [0,2,0,0,0,0|1,0,0]=3 5218 B10R0.108 C=CCC(=O)NCC(C)CO 240690a_100000744482_100000210193 [0,2,0,0,0,0|2,0,0]=4 5219 B10R0.108 C=CCC(=O)NCC(C)CO 527a_100000744482_100000210193 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.108 C=CCC(=O)NCC(O)CC 11a_100011218483_100000210193 [0,2,0,0,0,0|1,0,0]=3 5221 B10R0.108 C=CCC(=O)NCC(O)CC 240690a_100011218483_100000210193 [0,2,0,0,0,0|1,0,0]=3 5222 B10R0.108 C=CCC(=O)NCC(O)CC 527a_100011218483_100000210193 [0,2,0,0,0,0|1,0,0]=3 5223 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210193 [0,2,0,0,0,0|2,0,0]=4 5224 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210193 [0,2,0,0,0,0|2,0,0]=4 5225 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210193 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210193 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.108 C=CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210193 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.108 C=CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210193 [0,2,0,0,0,0|2,0,0]=4 5229 B10R0.108 C=CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210193 [0,2,0,0,0,0|2,0,0]=4 5230 B10R0.108 C=CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210193 [0,2,0,0,0,0|2,0,0]=4 5231 B10R0.108 C=CCC(=O)NNC(C)CC 22a_100000718999_100000210193 [0,2,0,0,0,0|2,0,0]=4 5232 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,2,0,0,0,0|1,0,0]=3 5233 B10R0.108 C=COC(=O)CN[C@H](C)CO 2230a_100000737577_100000036128 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.108 C=COC(=O)COC(C)CF 34a_100016041109_100000036128 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.108 C=COC(=O)COC(C)CN 34a_100000210904_100000036128 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,2,0,0,0,0|1,0,0]=3 5237 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,2,0,0,0,0|1,0,0]=3 5238 B10R0.108 C=COC(=O)CSC(C)CO 62a_100012180447_100000036128 [0,2,0,0,0,0|2,0,0]=4 5239 B10R0.108 C=COC(=O)CSC(C)OC 62a_100000036128_100009879195 [0,2,0,0,0,0|2,0,0]=4 5240 B10R0.108 C=COC(=O)CSC(C)OC 62a_100009879195_100000036128 [0,2,0,0,0,0|2,0,0]=4 5241 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100000036128_100016084084 [0,2,0,0,0,0|2,0,0]=4 5242 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100016084084_100000036128 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.108 C=C[C@H](N)COC(C)CCC 34a_100016989147_100000766640 [0,2,0,0,0,0|1,0,1]=4 5244 B10R0.108 CC(CO)CNC(=O)C=CBr 240690a_100000744482_100016273825 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.108 CC(CO)CNC(=O)C=CCl 240690a_100000744482_200016279998 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,2,0,0,0,0|1,0,0]=3 5247 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,2,0,0,0,0|1,0,0]=3 5248 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,2,0,0,0,0|1,0,0]=3 5249 B10R0.108 CC=CC(=O)NCC(C)CO 240690a_100000744482_100000210699 [0,2,0,0,0,0|2,0,0]=4 5250 B10R0.108 CC=CC(=O)NCC(O)CC 11a_100011218483_100000210699 [0,2,0,0,0,0|1,0,0]=3 5251 B10R0.108 CC=CC(=O)NCC(O)CC 240690a_100011218483_100000210699 [0,2,0,0,0,0|1,0,0]=3 5252 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000210699 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210699 [0,2,0,0,0,0|2,0,0]=4 5254 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210699 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.108 CC=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210699 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.108 CC=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000210699 [0,2,0,0,0,0|2,0,0]=4 5257 B10R0.108 CC=CC(=O)NNC(C)CC 22a_100000718999_100000210699 [0,2,0,0,0,0|2,0,0]=4 5258 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [0,2,0,0,0,0|0,0,2]=4 5259 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|0,0,2]=4 5260 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|0,0,2]=4 5261 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,2,0,0,0,0|1,0,1]=4 5262 B10R0.108 CCC(C)CNC(=O)C=CBr 1626a_100020588543_100016273825 [0,2,0,0,0,0|1,0,0]=3 5263 B10R0.108 CCC(C)CNC(=O)C=CBr 240690a_100020588543_100016273825 [0,2,0,0,0,0|1,0,0]=3 5264 B10R0.108 CCC(C)CNC(=O)C=CCl 11a_100020588543_200016279998 [0,2,0,0,0,0|1,0,0]=3 5265 B10R0.108 CCC(C)CNC(=O)C=CCl 1626a_100020588543_200016279998 [0,2,0,0,0,0|1,0,0]=3 5266 B10R0.108 CCC(C)CNC(=O)C=CCl 240690a_100020588543_200016279998 [0,2,0,0,0,0|1,0,0]=3 5267 B10R0.108 CCC(C)CNC(=O)C=CI 1626a_100020588543_100016256311 [0,2,0,0,0,0|1,0,0]=3 5268 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,2,0,0,0,0|1,0,1]=4 5269 B10R0.108 CCC(O)CNC(=O)C=CBr 240690a_100011218483_100016273825 [0,2,0,0,0,0|1,0,0]=3 5270 B10R0.108 CCC(O)CNC(=O)C=CCl 11a_100011218483_200016279998 [0,2,0,0,0,0|1,0,0]=3 5271 B10R0.108 CCC(O)CNC(=O)C=CCl 240690a_100011218483_200016279998 [0,2,0,0,0,0|1,0,0]=3 5272 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,1]=4 5273 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,1]=4 5274 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|0,0,2]=4 5275 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,2,0,0,0,0|1,0,1]=4 5276 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,2,0,0,0,0|1,0,1]=4 5277 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,2,0,0,0,0|1,0,1]=4 5278 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|1,0,1]=4 5279 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|0,0,2]=4 5280 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|0,0,2]=4 5281 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,2,0,0,0,0|1,0,1]=4 5282 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,2,0,0,0,0|1,0,1]=4 5283 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,2,0,0,0,0|1,0,1]=4 5284 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|1,0,1]=4 5285 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|1,0,1]=4 5286 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|0,0,2]=4 5287 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|0,0,2]=4 5288 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,2,0,0,0,0|1,0,1]=4 5289 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,2,0,0,0,0|1,0,1]=4 5290 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|1,0,1]=4 5291 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|1,0,1]=4 5292 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,2,0,0,0,0|1,0,1]=4 5293 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,2,0,0,0,0|1,0,1]=4 5294 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,2,0,0,0,0|1,0,1]=4 5296 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|1,0,1]=4 5297 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|1,0,1]=4 5298 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|1,0,1]=4 5299 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|0,0,2]=4 5300 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|0,0,2]=4 5301 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|0,0,2]=4 5302 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|0,0,2]=4 5303 B10R0.108 CO[C@H](C)CNC(=O)C=CBr 1626a_100020591295_100016273825 [0,2,0,0,0,0|2,0,0]=4 5304 B10R0.108 CO[C@H](C)CNC(=O)C=CBr 240690a_100020591295_100016273825 [0,2,0,0,0,0|2,0,0]=4 5305 B10R0.108 CO[C@H](C)CNC(=O)C=CCl 11a_100020591295_200016279998 [0,2,0,0,0,0|2,0,0]=4 5306 B10R0.108 CO[C@H](C)CNC(=O)C=CCl 1626a_100020591295_200016279998 [0,2,0,0,0,0|2,0,0]=4 5307 B10R0.108 CO[C@H](C)CNC(=O)C=CCl 240690a_100020591295_200016279998 [0,2,0,0,0,0|2,0,0]=4 5308 B10R0.108 CO[C@H](C)CNC(=O)C=CI 1626a_100020591295_100016256311 [0,2,0,0,0,0|2,0,0]=4 5309 B10R0.108 O=C(C=CBr)NC[C@@H](F)CO 240690a_100015665980_100016273825 [0,2,0,0,0,0|2,0,0]=4 5310 B10R0.108 O=C(C=CBr)NC[C@H](O)CO 240690a_100020644852_100016273825 [0,2,0,0,0,0|2,0,0]=4 5311 B10R0.108 O=C(C=CCl)NC[C@@H](F)CO 240690a_100015665980_200016279998 [0,2,0,0,0,0|2,0,0]=4 5312 B10R0.108 O=C(C=CCl)NC[C@H](O)CO 240690a_100020644852_200016279998 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.156 C=CCS(=O)(=O)NCCCC 270084a_100000102301_100000751117 [0,2,0,0,0,0|2,0,0]=4 5314 B10R0.156 C=CCS(=O)(=O)NCCCC 274078a_100000102301_100000751117 [0,2,0,0,0,0|2,0,0]=4 5315 B10R0.35 C=CC(=O)C(C)C(=O)NCC 1458a_100000185746_100000230173 [0,2,0,0,0,0|1,0,1]=4 5316 B10R0.35 C=CC(=O)C(C)C(=O)OCC 1458a_100000185746_100011216346 [0,2,0,0,0,0|1,0,1]=4 5317 B10R0.35 C=CC(=O)C(F)C(=O)OCC 1458a_100000185746_100000760018 [0,2,0,0,0,0|1,0,1]=4 5318 B10R0.35 C=CC(=O)N(C)C(C)CCO 240690a_100000731037_200121576911 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.46 C=CC(=O)CC(=O)N(C)CC 1458a_100000185746_100011894763 [0,2,0,0,0,0|1,0,1]=4 5320 B10R0.46 C=CC(=O)N(C)CC(C)CC 1626a_100000753921_100000185746 [0,2,0,0,0,0|1,0,0]=3 5321 B10R0.46 C=CC(=O)N(C)CC(C)CC 240690a_100000753921_200121576911 [0,2,0,0,0,0|1,0,0]=3 5322 B10R0.46 C=CC(=O)N(C)CC(O)CO 240690a_100011216503_200121576911 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.81 C=C(Br)C(=O)N(C)CCCC 11a_100000207549_100009813364 [0,2,0,0,0,0|1,0,0]=3 5324 B10R0.81 C=C(Br)C(=O)N(C)CCCC 1626a_100000207549_100009813364 [0,2,0,0,0,0|1,0,0]=3 5325 B10R0.81 C=C(Br)C(=O)N(C)CCOC 11a_100000743101_100009813364 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.81 C=C(Br)C(=O)N(C)CCOC 1626a_100000743101_100009813364 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.81 C=C(Br)C(=O)N(C)CCSC 11a_100000686725_100009813364 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.81 C=C(Br)C(=O)N(C)CCSC 1626a_100000686725_100009813364 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|0,0,0]=2 5330 B10R0.81 C=C(C)C(=O)N(C)CCCC 11a_100000207549_100000185857 [0,2,0,0,0,0|1,0,0]=3 5331 B10R0.81 C=C(C)C(=O)N(C)CCCC 1626a_100000207549_100000185857 [0,2,0,0,0,0|1,0,0]=3 5332 B10R0.81 C=C(C)C(=O)N(C)CCOC 11a_100000743101_100000185857 [0,2,0,0,0,0|2,0,0]=4 5333 B10R0.81 C=C(C)C(=O)N(C)CCOC 1626a_100000743101_100000185857 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.81 C=C(C)C(=O)N(C)CCSC 11a_100000686725_100000185857 [0,2,0,0,0,0|2,0,0]=4 5335 B10R0.81 C=C(C)C(=O)N(C)CCSC 1626a_100000686725_100000185857 [0,2,0,0,0,0|2,0,0]=4 5336 B10R0.81 C=C(Cl)C(=O)N(C)CCCC 11a_100000207549_100000039160 [0,2,0,0,0,0|1,0,0]=3 5337 B10R0.81 C=C(Cl)C(=O)N(C)CCCC 1626a_100000207549_100000039160 [0,2,0,0,0,0|1,0,0]=3 5338 B10R0.81 C=C(Cl)C(=O)N(C)CCOC 11a_100000743101_100000039160 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.81 C=C(Cl)C(=O)N(C)CCOC 1626a_100000743101_100000039160 [0,2,0,0,0,0|2,0,0]=4 5340 B10R0.81 C=C(Cl)C(=O)N(C)CCSC 11a_100000686725_100000039160 [0,2,0,0,0,0|2,0,0]=4 5341 B10R0.81 C=C(Cl)C(=O)N(C)CCSC 1626a_100000686725_100000039160 [0,2,0,0,0,0|2,0,0]=4 5342 B10R0.81 C=C(F)C(=O)N(C)CCCC 11a_100000207549_100000036797 [0,2,0,0,0,0|1,0,0]=3 5343 B10R0.81 C=C(F)C(=O)N(C)CCCC 1626a_100000207549_100000036797 [0,2,0,0,0,0|1,0,0]=3 5344 B10R0.81 C=C(F)C(=O)N(C)CCOC 11a_100000743101_100000036797 [0,2,0,0,0,0|2,0,0]=4 5345 B10R0.81 C=C(F)C(=O)N(C)CCOC 1626a_100000743101_100000036797 [0,2,0,0,0,0|2,0,0]=4 5346 B10R0.81 C=C(F)C(=O)N(C)CCSC 11a_100000686725_100000036797 [0,2,0,0,0,0|2,0,0]=4 5347 B10R0.81 C=C(F)C(=O)N(C)CCSC 1626a_100000686725_100000036797 [0,2,0,0,0,0|2,0,0]=4 5348 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,2,0,0,0,0|0,0,2]=4 5349 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,2,0,0,0,0|0,0,2]=4 5350 B10R0.81 CCCCC(C)C(=O)C(C)F 1458a_100000062450_200011215066 [0,2,0,0,0,0|0,0,2]=4 5351 B10R0.81 CCCCC(C)C(=O)C(O)O 1458a_100000233687_200011215066 [0,2,0,0,0,0|1,0,1]=4 5352 B10R0.81 CCCCC(C)C(=O)N(C)C 11a_100102631434_100000725509 [0,2,0,0,0,0|1,0,1]=4 5353 B10R0.81 CCCCC(C)C(=O)N(C)C 1626a_100102631434_100000725509 [0,2,0,0,0,0|1,0,1]=4 5354 B10R0.81 CCCCC(C)C(=O)N(C)C 240690a_100102631434_100000725509 [0,2,0,0,0,0|1,0,1]=4 5355 B10R0.81 CCCCC(C)C(=O)N(C)C 527a_100102631434_100000725509 [0,2,0,0,0,0|1,0,1]=4 5356 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,2,0,0,0,0|0,0,2]=4 5357 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,2,0,0,0,0|0,0,2]=4 5358 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,2,0,0,0,0|0,0,2]=4 5359 B10R0.81 CCCCC(O)C(=O)N(C)C 240690a_100102631434_100000720857 [0,2,0,0,0,0|1,0,1]=4 5360 B10R0.81 CCCCC(O)C(=O)N(C)C 527a_100102631434_100000720857 [0,2,0,0,0,0|1,0,1]=4 5361 B10R0.81 CCCCN(C)C(=O)C(=O)N 240690a_100000207549_100011215815 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [0,2,0,0,0,0|0,0,2]=4 5363 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,2,0,0,0,0|0,0,0]=2 5364 B10R0.85 C=CC(=O)N(CC)CCCC 1626a_100000207695_100000185746 [0,2,0,0,0,0|1,0,0]=3 5365 B10R0.85 C=CC(=O)N(CC)CCCC 240690a_100000207695_200121576911 [0,2,0,0,0,0|1,0,0]=3 5366 B10R0.85 C=CC(=O)N(CC)CCOC 1626a_100000731262_100000185746 [0,2,0,0,0,0|2,0,0]=4 5367 B10R0.85 C=CC(=O)N(CC)CCOC 240690a_100000731262_200121576911 [0,2,0,0,0,0|2,0,0]=4 5368 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|0,0,2]=4 5369 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|0,0,2]=4 5370 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,2,0,0,0,0|1,0,1]=4 5371 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|1,0,1]=4 5372 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|1,0,1]=4 5373 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|1,0,1]=4 5374 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|1,0,1]=4 5375 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|1,0,1]=4 5376 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|1,0,1]=4 5377 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|1,0,1]=4 5378 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|1,0,1]=4 5379 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|1,0,1]=4 5380 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|1,0,1]=4 5381 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|1,0,1]=4 5382 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|1,0,1]=4 5383 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|1,0,1]=4 5384 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|0,0,2]=4 5385 B10R0.124 CCCCC(C)(C)C(=O)CF 1458a_100011216040_100015361967 [0,2,0,0,0,0|1,0,1]=4 5386 B10R0.124 CCCCC(C)(C)C(=O)NC 11a_106832991635_100011216040 [0,2,0,0,0,0|1,0,1]=4 5387 B10R0.124 CCCCC(C)(C)C(=O)NC 1626a_100102657272_100011216040 [0,2,0,0,0,0|1,0,1]=4 5388 B10R0.124 CCCCC(C)(C)C(=O)NC 240690a_100102657272_100011216040 [0,2,0,0,0,0|1,0,1]=4 5389 B10R0.124 CCCCC(C)(C)C(=O)NC 527a_100102657272_100011216040 [0,2,0,0,0,0|1,0,1]=4 5390 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|0,0,2]=4 5391 B10R0.124 CCCCC(C)(O)C(=O)CF 1458a_100000137666_100015361967 [0,2,0,0,0,0|1,0,1]=4 5392 B10R0.124 CCCCC(C)(O)C(=O)NC 240690a_100102657272_100000137666 [0,2,0,0,0,0|1,0,1]=4 5393 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|0,0,2]=4 5394 B10R0.124 CCCCC(F)(F)C(=O)CF 1458a_100000100317_100015361967 [0,2,0,0,0,0|1,0,1]=4 5395 B10R0.124 CCCCC(F)(F)C(=O)NC 11a_106832991635_100000100317 [0,2,0,0,0,0|1,0,1]=4 5396 B10R0.124 CCCCC(F)(F)C(=O)NC 1626a_100102657272_100000100317 [0,2,0,0,0,0|1,0,1]=4 5397 B10R0.124 CCCCC(F)(F)C(=O)NC 240690a_100102657272_100000100317 [0,2,0,0,0,0|1,0,1]=4 5398 B10R0.124 CCCCC(F)(F)C(=O)NC 527a_100102657272_100000100317 [0,2,0,0,0,0|1,0,1]=4 5399 B10R0.62 C=CC(C)(C)OCCCCC 34a_100011215311_100000718602 [0,2,0,0,0,0|1,0,1]=4 5400 B10R0.62 C=CC(C)(C)OCCCCC 7a_100011215311_100000210326 [0,2,0,0,0,0|1,0,1]=4 5401 B10R0.62 C=CC(F)(F)SCCCCC 62a_100000210326_100009814244 [0,2,0,0,0,0|1,0,1]=4 5402 B10R0.62 C=CC(F)(F)SCCCCC 62a_100009814244_100000210326 [0,2,0,0,0,0|1,0,1]=4 5403 B10R0.62 C=C[Si](C)(C)CNCCCC 2230a_100000102301_100000038793 [0,2,0,0,0,0|1,1,0]=4 5404 B10R0.62 C=C[Si](C)(C)CSCCCC 62a_100000038793_100000210210 [0,2,0,0,0,0|1,1,0]=4 5405 B10R0.62 C=C[Si](C)(C)CSCCCC 62a_100000210211_100000038793 [0,2,0,0,0,0|1,1,0]=4 5406 B10R0.115 C=CC(=O)CCS(=O)(=O)CC 1458a_100000185746_100000756660 [0,2,0,0,0,0|1,0,0]=3 5407 B10R0.115 C=CC(=O)NCC(C)(C)CO 240690a_100020635058_200121576911 [0,2,0,0,0,0|2,0,0]=4 5408 B10R0.115 C=CC(=O)NCC(C)(C)OC 1626a_100000763424_100000185746 [0,2,0,0,0,0|2,0,0]=4 5409 B10R0.115 C=CC(=O)NCC(C)(C)OC 240690a_100000763424_200121576911 [0,2,0,0,0,0|2,0,0]=4 5410 B10R0.115 C=CC(=O)NCC(F)(F)CO 240690a_100000703232_200121576911 [0,2,0,0,0,0|2,0,0]=4 5411 B10R0.45 C=CC(=O)CCC(OC)OC 1458a_100000185746_100000139399 [0,2,0,0,0,0|1,0,0]=3 5412 B10R0.45 C=CC(=O)CCN(CC)CC 1458a_100000185746_100000700428 [0,2,0,0,0,0|1,0,0]=3 5413 B10R0.45 C=CC(=O)NCC(CC)CC 1626a_100102946423_100000185746 [0,2,0,0,0,0|1,0,0]=3 5414 B10R0.45 C=CC(=O)NCC(CC)CC 240690a_100102946423_200121576911 [0,2,0,0,0,0|1,0,0]=3 5415 B10R0.45 C=CC(=O)NCC(CC)OC 1626a_100000731041_100000185746 [0,2,0,0,0,0|1,0,0]=3 5416 B10R0.45 C=CC(=O)NCC(CC)OC 240690a_100000731041_200121576911 [0,2,0,0,0,0|1,0,0]=3 5417 B10R0.45 C=CC(=O)NCC(OC)OC 1626a_100000210479_100000185746 [0,2,0,0,0,0|2,0,0]=4 5418 B10R0.45 C=CC(=O)NCC(OC)OC 240690a_100000210479_200121576911 [0,2,0,0,0,0|2,0,0]=4 5419 B10R0.45 C=CC(=O)NNC(CC)CC 22a_100000756293_100000185746 [0,2,0,0,0,0|2,0,0]=4 5420 B10R0.18 C=CC(=O)CC(=C)OCOC 1458a_100000185746_100000042856 [0,2,0,0,0,0|1,0,1]=4 5421 B10R0.18 C=CC(=O)CC(=O)NCCC 1458a_100000185746_100000183358 [0,2,0,0,0,0|0,0,1]=3 5422 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [0,2,0,0,0,0|0,0,1]=3 5423 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,2,0,0,0,0|0,0,0]=2 5424 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,2,0,0,0,0|0,0,0]=2 5425 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|1,0,1]=4 5426 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [0,2,0,0,0,0|1,0,1]=4 5427 B10R0.18 C=CC(C)SC(C)CCCC 62a_100011215867_200011215066 [0,2,0,0,0,0|1,0,1]=4 5428 B10R0.18 C=CC(O)CN(C)CCCC 2230a_100000207549_100000730141 [0,2,0,0,0,0|0,0,2]=4 5429 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|0,0,2]=4 5430 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|1,0,1]=4 5431 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|1,0,1]=4 5432 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|1,0,1]=4 5433 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 5434 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 5435 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 5436 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 5437 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|1,0,1]=4 5438 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|1,0,1]=4 5439 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|1,0,1]=4 5440 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|1,0,1]=4 5441 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|1,0,1]=4 5442 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|1,0,1]=4 5443 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|1,0,1]=4 5444 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|1,0,1]=4 5445 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|0,0,2]=4 5446 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,2,0,0,0,0|1,0,1]=4 5447 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,2,0,0,0,0|1,0,1]=4 5448 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,2,0,0,0,0|1,0,1]=4 5449 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|1,0,1]=4 5452 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|1,0,1]=4 5453 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|1,0,1]=4 5454 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|1,0,1]=4 5455 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|1,0,1]=4 5456 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|1,0,1]=4 5457 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|1,0,1]=4 5458 B10R0.26 C=C(Br)C(=O)NC(C)CCC 11a_100000741246_100009813364 [0,2,0,0,0,0|1,0,0]=3 5459 B10R0.26 C=C(Br)C(=O)NC(C)CCC 1626a_100000741246_100009813364 [0,2,0,0,0,0|1,0,0]=3 5460 B10R0.26 C=C(Br)C(=O)N[C@H](C)COC 11a_100000764878_100009813364 [0,2,0,0,0,0|2,0,0]=4 5461 B10R0.26 C=C(Br)C(=O)N[C@H](C)COC 1626a_100000764878_100009813364 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,2,0,0,0,0|0,0,1]=3 5463 B10R0.26 C=C(C)C(=O)CC(=O)NCC 1458a_100000185857_100000183381 [0,2,0,0,0,0|1,0,1]=4 5464 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,2,0,0,0,0|1,0,1]=4 5465 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|0,0,0]=2 5466 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,2,0,0,0,0|1,0,0]=3 5467 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,2,0,0,0,0|1,0,0]=3 5468 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 11a_100000764878_100000185857 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 1626a_100000764878_100000185857 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.26 C=C(Cl)C(=O)NC(C)CCC 11a_100000741246_100000039160 [0,2,0,0,0,0|1,0,0]=3 5471 B10R0.26 C=C(Cl)C(=O)NC(C)CCC 1626a_100000741246_100000039160 [0,2,0,0,0,0|1,0,0]=3 5472 B10R0.26 C=C(Cl)C(=O)N[C@H](C)COC 11a_100000764878_100000039160 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.26 C=C(Cl)C(=O)N[C@H](C)COC 1626a_100000764878_100000039160 [0,2,0,0,0,0|2,0,0]=4 5474 B10R0.26 C=C(F)C(=O)NC(C)CCC 11a_100000741246_100000036797 [0,2,0,0,0,0|1,0,0]=3 5475 B10R0.26 C=C(F)C(=O)NC(C)CCC 1626a_100000741246_100000036797 [0,2,0,0,0,0|1,0,0]=3 5476 B10R0.26 C=C(F)C(=O)N[C@H](C)COC 11a_100000764878_100000036797 [0,2,0,0,0,0|2,0,0]=4 5477 B10R0.26 C=C(F)C(=O)N[C@H](C)COC 1626a_100000764878_100000036797 [0,2,0,0,0,0|2,0,0]=4 5478 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|0,0,2]=4 5479 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|0,0,2]=4 5480 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|0,0,2]=4 5481 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|0,0,2]=4 5482 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,2,0,0,0,0|1,0,1]=4 5483 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,2,0,0,0,0|1,0,1]=4 5485 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,2,0,0,0,0|1,0,1]=4 5486 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,2,0,0,0,0|1,0,1]=4 5487 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|0,0,2]=4 5488 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|0,0,2]=4 5489 B10R0.26 CCCC(C)NC(=O)C(=O)N 240690a_100000741246_100011215815 [0,2,0,0,0,0|2,0,0]=4 5490 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|1,0,1]=4 5491 B10R0.29 C=CC(=O)NC(CC)CCC 1626a_100000747048_100000185746 [0,2,0,0,0,0|1,0,0]=3 5492 B10R0.29 C=CC(=O)NC(CC)CCC 240690a_100000747048_200121576911 [0,2,0,0,0,0|1,0,0]=3 5493 B10R0.29 C=CC(=O)NC(CC)COC 1626a_100000757820_100000185746 [0,2,0,0,0,0|2,0,0]=4 5494 B10R0.29 C=CC(=O)NC(CC)COC 240690a_100000757820_200121576911 [0,2,0,0,0,0|2,0,0]=4 5495 B10R0.29 C=CC(=O)NC(CO)COC 240690a_100000724102_200121576911 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.29 C=CC(=O)N[C@H](CO)CCC 240690a_100000732646_200121576911 [0,2,0,0,0,0|1,0,0]=3 5497 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [0,2,0,0,0,0|1,0,1]=4 5498 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [0,2,0,0,0,0|1,0,1]=4 5499 B10R0.148 C=CC(=O)C[Si](C)(C)OCC 1458a_100000185746_200000065227 [0,2,0,0,0,0|1,1,0]=4 5500 B10R0.148 C=CC(=O)NC(C)(C)CCO 240690a_100000763138_200121576911 [0,2,0,0,0,0|2,0,0]=4 5501 B10R0.148 C=CC(=O)NC(C)(C)COC 1626a_100000752728_100000185746 [0,2,0,0,0,0|2,0,0]=4 5502 B10R0.148 C=CC(=O)NC(C)(C)COC 240690a_100000752728_200121576911 [0,2,0,0,0,0|2,0,0]=4 5503 B10R0.148 C=CC(=O)NC(C)(C)CSC 1626a_100000759623_100000185746 [0,2,0,0,0,0|2,0,0]=4 5504 B10R0.148 C=CC(=O)NC(C)(C)CSC 240690a_100000759623_200121576911 [0,2,0,0,0,0|2,0,0]=4 5505 B10R0.148 C=CC(=O)NS(=O)(=O)CCC 2740a_100000171175_100000185746 [0,2,0,0,0,0|2,0,0]=4 5506 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [0,2,0,0,0,0|0,0,2]=4 5507 B10R0.148 CCCC(C)(O)CC(=O)CF 1458a_100011667670_100015361967 [0,2,0,0,0,0|1,0,1]=4 5508 B10R0.148 CCCC(C)(O)CC(=O)NC 240690a_100102657272_100011667670 [0,2,0,0,0,0|1,0,1]=4 5509 B10R0.148 CCCC(C)(O)CC(=O)NC 527a_100102657272_100011667670 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.41 C=CC(=NNCCCC)CC 4a_100025702795_100000747743 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.41 C=CC(C=C)OCCCCC 34a_100000033096_100000718602 [0,2,0,0,0,0|1,0,1]=4 5512 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,2,0,0,0,0|1,0,1]=4 5513 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,2,0,0,0,0|1,0,1]=4 5514 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|0,0,2]=4 5515 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|0,0,2]=4 5516 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|0,0,2]=4 5517 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|0,0,2]=4 5518 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,2,0,0,0,0|0,0,2]=4 5519 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|0,0,2]=4 5520 B10R0.41 CCCCCNC(C=O)C=O 2230a_100000209983_100000736813 [0,2,0,0,0,0|1,0,1]=4 5521 B10R0.41 CCCCCOC(C=O)C=O 34a_100000210253_100000736813 [0,2,0,0,0,0|1,0,1]=4 5522 B10R0.41 CCCCCSC(C=O)C=O 62a_100000210326_100000736813 [0,2,0,0,0,0|1,0,1]=4 5523 B10R0.41 CCCCCSC(C=O)C=O 62a_100000736813_100000210326 [0,2,0,0,0,0|1,0,1]=4 5524 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,2,0,0,0,0|0,0,2]=4 5525 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,2,0,0,0,0|0,0,2]=4 5526 B10R0.55 C=CC(=O)CCCCB(O)O 1458a_100000185746_200009817182 [0,2,0,0,0,0|1,0,0]=3 5527 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,2,0,0,0,0|0,0,0]=2 5528 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|0,0,0]=2 5529 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,2,0,0,0,0|0,0,1]=3 5530 B10R0.55 C=CC(=O)CCCOC(=S)C 1458a_100000185746_200135323944 [0,2,0,0,0,0|0,0,1]=3 5531 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,2,0,0,0,0|0,0,1]=3 5532 B10R0.55 C=CC(=O)CCOCC(=O)N 1458a_100000185746_100000076697 [0,2,0,0,0,0|1,0,1]=4 5533 B10R0.55 C=CC(=O)CCOCC(F)F 1458a_100000185746_200012177212 [0,2,0,0,0,0|1,0,0]=3 5534 B10R0.55 C=CC(=O)NCCCC(=O)N 240690a_100000739312_200121576911 [0,2,0,0,0,0|1,0,1]=4 5535 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,2,0,0,0,0|0,0,0]=2 5536 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,2,0,0,0,0|0,0,0]=2 5537 B10R0.55 C=CC(=O)NCCCN(C)C 240690a_102531767803_200121576911 [0,2,0,0,0,0|1,0,0]=3 5538 B10R0.55 C=CC(=O)NCCCS(=O)C 240690a_200000753449_200121576911 [0,2,0,0,0,0|1,0,0]=3 5539 B10R0.55 C=CC(=O)NCCNC(=O)C 11a_114873766552_100015343762 [0,2,0,0,0,0|1,0,1]=4 5540 B10R0.55 C=CC(=O)NCCNC(=O)C 1626a_114873766552_100015343762 [0,2,0,0,0,0|1,0,1]=4 5541 B10R0.55 C=CC(=O)NCCNC(=O)C 240690a_100000209853_200121576911 [0,2,0,0,0,0|1,0,1]=4 5542 B10R0.55 C=CC(=O)NCCNC(=O)C 527a_114873766552_100103153847 [0,2,0,0,0,0|1,0,1]=4 5543 B10R0.55 C=CC(=O)NCCNC(C)C 2230a_114873766552_100000210206 [0,2,0,0,0,0|1,0,0]=3 5544 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,2,0,0,0,0|1,0,1]=4 5545 B10R0.55 C=CC(=O)NCCOC(C)C 1626a_100000701111_100000185746 [0,2,0,0,0,0|1,0,0]=3 5546 B10R0.55 C=CC(=O)NCCOC(C)C 240690a_100000701111_200121576911 [0,2,0,0,0,0|1,0,0]=3 5547 B10R0.55 C=CC(=O)NCCOC(C)C 34a_100011304386_100000210206 [0,2,0,0,0,0|1,0,0]=3 5548 B10R0.55 C=CC(=O)NCCSC(=O)C 240690a_100020647217_200121576911 [0,2,0,0,0,0|1,0,1]=4 5549 B10R0.55 C=CC(=O)NCCSC(C)C 1626a_100000731138_100000185746 [0,2,0,0,0,0|1,0,0]=3 5550 B10R0.55 C=CC(=O)NCCSC(C)C 240690a_100000731138_200121576911 [0,2,0,0,0,0|1,0,0]=3 5551 B10R0.55 C=CC(=O)NNCCN(C)C 22a_100000738145_100000185746 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.55 C=CC(=O)OCCNC(C)C 2230a_100138425928_100009813456 [0,2,0,0,0,0|1,0,0]=3 5553 B10R0.55 C=CC(=O)OCCNC(C)C 34a_100138425928_100009813456 [0,2,0,0,0,0|1,0,0]=3 5554 B10R0.55 C=CC(=O)OCCOC(C)C 34a_100000212225_100009813456 [0,2,0,0,0,0|1,0,0]=3 5555 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100000210206_100009813456 [0,2,0,0,0,0|1,0,0]=3 5556 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100009813456_100000210206 [0,2,0,0,0,0|1,0,0]=3 5557 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [0,2,0,0,0,0|1,0,1]=4 5558 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [0,2,0,0,0,0|1,0,1]=4 5559 B10R0.55 C=CC(C)COCCC(C)O 34a_100011215527_100012276601 [0,2,0,0,0,0|1,0,1]=4 5560 B10R0.55 C=CC(C)COCCC(C)O 7a_100011215527_100012276601 [0,2,0,0,0,0|1,0,1]=4 5561 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [0,2,0,0,0,0|1,0,1]=4 5562 B10R0.55 C=CC(C)OCCCC(C)O 34a_100000695699_200000718107 [0,2,0,0,0,0|1,0,1]=4 5563 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [0,2,0,0,0,0|1,0,1]=4 5564 B10R0.55 C=CC(C)SCCCC(C)O 62a_100011215867_200000718107 [0,2,0,0,0,0|1,0,1]=4 5565 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,2,0,0,0,0|0,0,2]=4 5566 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [0,2,0,0,0,0|0,0,2]=4 5567 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,2,0,0,0,0|0,0,2]=4 5568 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,2,0,0,0,0|0,0,2]=4 5569 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [0,2,0,0,0,0|0,0,2]=4 5570 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,2,0,0,0,0|0,0,2]=4 5571 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,2,0,0,0,0|0,0,2]=4 5572 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,2,0,0,0,0|0,0,2]=4 5573 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,2,0,0,0,0|0,0,2]=4 5574 B10R0.55 C=C[C@H](N)COCCC(C)C 34a_100016989147_100000210312 [0,2,0,0,0,0|1,0,1]=4 5575 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [0,2,0,0,0,0|1,0,1]=4 5576 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|1,0,1]=4 5577 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|1,0,1]=4 5578 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|1,0,1]=4 5579 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|1,0,1]=4 5580 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|1,0,1]=4 5581 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,2,0,0,0,0|2,0,0]=4 5582 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|0,0,2]=4 5583 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|0,0,2]=4 5584 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|0,0,2]=4 5585 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|0,0,2]=4 5586 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|0,0,2]=4 5587 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|0,0,2]=4 5588 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|0,0,2]=4 5589 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|0,0,2]=4 5590 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|0,0,2]=4 5591 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|0,0,2]=4 5592 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 5593 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 5594 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 5595 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 5596 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|1,0,1]=4 5597 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|1,0,1]=4 5598 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|1,0,1]=4 5599 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|1,0,1]=4 5600 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,2,0,0,0,0|1,0,1]=4 5601 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,2,0,0,0,0|1,0,1]=4 5602 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,2,0,0,0,0|1,0,1]=4 5603 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,2,0,0,0,0|1,0,1]=4 5604 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,2,0,0,0,0|1,0,1]=4 5605 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,2,0,0,0,0|1,0,1]=4 5606 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,2,0,0,0,0|1,0,1]=4 5607 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,2,0,0,0,0|1,0,1]=4 5608 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,2,0,0,0,0|1,0,1]=4 5609 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,2,0,0,0,0|1,0,1]=4 5610 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,2,0,0,0,0|1,0,1]=4 5611 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,2,0,0,0,0|1,0,1]=4 5612 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,2,0,0,0,0|1,0,1]=4 5613 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,2,0,0,0,0|1,0,1]=4 5614 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,2,0,0,0,0|1,0,1]=4 5615 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,2,0,0,0,0|1,0,1]=4 5616 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,2,0,0,0,0|1,0,1]=4 5617 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,2,0,0,0,0|1,0,1]=4 5618 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,2,0,0,0,0|1,0,1]=4 5619 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,2,0,0,0,0|1,0,1]=4 5620 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,2,0,0,0,0|1,0,1]=4 5621 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,2,0,0,0,0|1,0,1]=4 5622 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,2,0,0,0,0|1,0,1]=4 5623 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,2,0,0,0,0|1,0,1]=4 5624 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,2,0,0,0,0|1,0,1]=4 5625 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,2,0,0,0,0|1,0,1]=4 5626 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,2,0,0,0,0|1,0,1]=4 5627 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,2,0,0,0,0|1,0,1]=4 5628 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,2,0,0,0,0|1,0,1]=4 5629 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,2,0,0,0,0|1,0,1]=4 5630 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,2,0,0,0,0|1,0,1]=4 5631 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,2,0,0,0,0|1,0,1]=4 5632 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,2,0,0,0,0|1,0,1]=4 5633 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,2,0,0,0,0|1,0,1]=4 5634 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,2,0,0,0,0|1,0,1]=4 5635 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,2,0,0,0,0|1,0,1]=4 5636 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,2,0,0,0,0|1,0,1]=4 5637 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|1,0,1]=4 5638 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|1,0,1]=4 5639 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,2,0,0,0,0|1,0,1]=4 5640 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,2,0,0,0,0|1,0,1]=4 5641 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,2,0,0,0,0|1,0,1]=4 5642 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,2,0,0,0,0|1,0,1]=4 5643 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|1,0,1]=4 5644 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|1,0,1]=4 5645 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,2,0,0,0,0|1,0,1]=4 5646 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,2,0,0,0,0|1,0,1]=4 5647 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|1,0,1]=4 5648 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|1,0,1]=4 5649 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|1,0,1]=4 5650 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|1,0,1]=4 5651 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|1,0,1]=4 5652 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|1,0,1]=4 5653 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|1,0,1]=4 5654 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|1,0,1]=4 5655 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|1,0,1]=4 5657 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|1,0,1]=4 5658 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|1,0,1]=4 5659 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|1,0,1]=4 5660 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|1,0,1]=4 5661 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|1,0,1]=4 5662 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|1,0,1]=4 5663 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|1,0,1]=4 5664 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|1,0,1]=4 5665 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|1,0,1]=4 5666 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|1,0,1]=4 5667 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|1,0,1]=4 5668 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,1]=4 5669 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|1,0,1]=4 5670 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|1,0,1]=4 5671 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|1,0,1]=4 5672 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|1,0,1]=4 5673 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|1,0,1]=4 5674 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|1,0,1]=4 5675 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|1,0,1]=4 5676 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|1,0,1]=4 5677 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|1,0,1]=4 5678 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|1,0,1]=4 5679 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|1,0,1]=4 5680 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|1,0,1]=4 5681 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|1,0,1]=4 5682 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|1,0,1]=4 5683 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|1,0,1]=4 5684 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,1]=4 5685 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|1,0,1]=4 5686 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|1,0,1]=4 5687 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|1,0,1]=4 5688 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|1,0,1]=4 5689 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,2,0,0,0,0|0,0,2]=4 5690 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|0,0,2]=4 5691 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|0,0,2]=4 5692 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|0,0,2]=4 5693 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|0,0,2]=4 5694 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|0,0,2]=4 5695 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,2,0,0,0,0|0,0,2]=4 5696 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,2,0,0,0,0|0,0,2]=4 5697 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|0,0,0]=2 5698 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|0,0,2]=4 5699 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|0,0,2]=4 5700 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,2,0,0,0,0|1,0,1]=4 5701 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|1,0,1]=4 5702 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|1,0,1]=4 5703 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|1,0,1]=4 5704 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|1,0,1]=4 5705 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|1,0,1]=4 5706 B10R0.74 C#CCCCCNC(=O)C=C 1626a_100000706060_100000185746 [0,2,0,0,0,0|0,0,1]=3 5707 B10R0.74 C#CCCCCNC(=O)C=C 240690a_100000706060_200121576911 [0,2,0,0,0,0|0,0,1]=3 5708 B10R0.74 C#CCNCCNC(=O)C=C 2230a_114873766552_100000038162 [0,2,0,0,0,0|0,0,2]=4 5709 B10R0.74 C#CCNCCOC(=O)C=C 34a_100000212058_100009813456 [0,2,0,0,0,0|0,0,2]=4 5710 B10R0.74 C#CCOCCNC(=O)C=C 1626a_100000700922_100000185746 [0,2,0,0,0,0|0,0,2]=4 5711 B10R0.74 C#CCOCCNC(=O)C=C 240690a_100000700922_200121576911 [0,2,0,0,0,0|0,0,2]=4 5712 B10R0.74 C#CCOCCNC(=O)C=C 34a_100011304386_100000184674 [0,2,0,0,0,0|0,0,2]=4 5713 B10R0.74 C#CCOCCOC(=O)C=C 34a_100000210247_100009813456 [0,2,0,0,0,0|0,0,2]=4 5714 B10R0.74 C#CCSCCOC(=O)C=C 62a_100000038162_100009813456 [0,2,0,0,0,0|0,0,2]=4 5715 B10R0.74 C=CC(=NNCCCCC)C 4a_100000694160_200015361842 [0,2,0,0,0,0|1,0,0]=3 5716 B10R0.74 C=CC(=NNCCOCC)C 4a_100000732670_200015361842 [0,2,0,0,0,0|2,0,0]=4 5717 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|0,0,0]=2 5718 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|0,0,0]=2 5719 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|0,0,0]=2 5720 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|0,0,0]=2 5721 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|0,0,0]=2 5722 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|0,0,0]=2 5723 B10R0.74 C=CC(=O)NCCCCC#N 1626a_100000751965_100000185746 [0,2,0,0,0,0|0,0,1]=3 5724 B10R0.74 C=CC(=O)NCCCCC#N 240690a_100000751965_200121576911 [0,2,0,0,0,0|0,0,1]=3 5725 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|0,0,0]=2 5726 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|0,0,0]=2 5727 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|0,0,0]=2 5728 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|0,0,0]=2 5729 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|0,0,0]=2 5730 B10R0.74 C=CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_200121576911 [0,2,0,0,0,0|2,0,0]=4 5731 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|0,0,0]=2 5732 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|0,0,0]=2 5733 B10R0.74 C=CC(=O)NCCNCC#N 2230a_114873766552_100011215382 [0,2,0,0,0,0|1,0,1]=4 5734 B10R0.74 C=CC(=O)NCCNCC=O 2230a_114873766552_200015260668 [0,2,0,0,0,0|1,0,1]=4 5735 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|0,0,0]=2 5736 B10R0.74 C=CC(=O)NCCNCCF 2230a_114873766552_100011217306 [0,2,0,0,0,0|1,0,0]=3 5737 B10R0.74 C=CC(=O)NCCNCCO 2230a_114873766552_100000211926 [0,2,0,0,0,0|1,0,0]=3 5738 B10R0.74 C=CC(=O)NCCNCOC 2230a_114873766552_100000766300 [0,2,0,0,0,0|1,0,0]=3 5739 B10R0.74 C=CC(=O)NCCNCSC 2230a_114873766552_100011218213 [0,2,0,0,0,0|1,0,0]=3 5740 B10R0.74 C=CC(=O)NCCOCC=O 34a_100011304386_200009817547 [0,2,0,0,0,0|1,0,1]=4 5741 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|0,0,0]=2 5742 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|0,0,0]=2 5743 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|0,0,0]=2 5744 B10R0.74 C=CC(=O)NCCOCCF 34a_100011304386_100011217306 [0,2,0,0,0,0|1,0,0]=3 5745 B10R0.74 C=CC(=O)NCCOCCO 240690a_100000211614_200121576911 [0,2,0,0,0,0|1,0,0]=3 5746 B10R0.74 C=CC(=O)NCCOCCO 34a_100011304386_100000211926 [0,2,0,0,0,0|1,0,0]=3 5747 B10R0.74 C=CC(=O)NCCOCSC 34a_100011304386_100011218213 [0,2,0,0,0,0|1,0,0]=3 5748 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|0,0,0]=2 5749 B10R0.74 C=CC(=O)NCCSCCO 240690a_100011219999_200121576911 [0,2,0,0,0,0|1,0,0]=3 5750 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|0,0,0]=2 5751 B10R0.74 C=CC(=O)NNCCCOC 22a_100025702787_100000185746 [0,2,0,0,0,0|1,0,0]=3 5752 B10R0.74 C=CC(=O)NNCCOCC 22a_100000732670_100000185746 [0,2,0,0,0,0|1,0,0]=3 5753 B10R0.74 C=CC(=O)OCCNCCF 34a_100000724931_100009813456 [0,2,0,0,0,0|1,0,0]=3 5754 B10R0.74 C=CC(=O)OCCNCCO 2230a_100016997473_100009813456 [0,2,0,0,0,0|1,0,0]=3 5755 B10R0.74 C=CC(=O)OCCNCCO 34a_100016990907_100009813456 [0,2,0,0,0,0|1,0,0]=3 5756 B10R0.74 C=CC(=O)OCCOCCBr 34a_100000211926_100009813456 [0,2,0,0,0,0|1,0,0]=3 5757 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|0,0,0]=2 5758 B10R0.74 C=CC(=O)OCCOCCN 34a_100000210304_100009813456 [0,2,0,0,0,0|1,0,0]=3 5759 B10R0.74 C=CC(=O)OCCSCC#N 62a_100009813456_100011215382 [0,2,0,0,0,0|1,0,1]=4 5760 B10R0.74 C=CC(=O)OCCSCC#N 62a_100011215382_100009813456 [0,2,0,0,0,0|1,0,1]=4 5761 B10R0.74 C=CC(=O)OCCSCC=O 62a_100009813456_200015260668 [0,2,0,0,0,0|1,0,1]=4 5762 B10R0.74 C=CC(=O)OCCSCC=O 62a_200015260668_100009813456 [0,2,0,0,0,0|1,0,1]=4 5763 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|0,0,0]=2 5764 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|0,0,0]=2 5765 B10R0.74 C=CC(=O)OCCSCCF 62a_100009813456_100011217306 [0,2,0,0,0,0|1,0,0]=3 5766 B10R0.74 C=CC(=O)OCCSCCF 62a_100011217306_100009813456 [0,2,0,0,0,0|1,0,0]=3 5767 B10R0.74 C=CC(=O)OCCSCCO 62a_100000211926_100009813456 [0,2,0,0,0,0|1,0,0]=3 5768 B10R0.74 C=CC(=O)OCCSCCO 62a_100009813456_100000211926 [0,2,0,0,0,0|1,0,0]=3 5769 B10R0.74 C=CC(=O)OCCSCOC 62a_100000766300_100009813456 [0,2,0,0,0,0|1,0,0]=3 5770 B10R0.74 C=CC(=O)OCCSCOC 62a_100009813456_100000766300 [0,2,0,0,0,0|1,0,0]=3 5771 B10R0.74 C=CC(=O)OCCSCSC 62a_100009813456_100011218213 [0,2,0,0,0,0|1,0,0]=3 5772 B10R0.74 C=CC(=O)OCCSCSC 62a_100011218213_100009813456 [0,2,0,0,0,0|1,0,0]=3 5773 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,2,0,0,0,0|1,0,1]=4 5774 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,2,0,0,0,0|1,0,1]=4 5775 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,2,0,0,0,0|1,0,1]=4 5776 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,2,0,0,0,0|1,0,1]=4 5777 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,2,0,0,0,0|1,0,1]=4 5778 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,2,0,0,0,0|1,0,1]=4 5779 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,2,0,0,0,0|1,0,1]=4 5780 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,2,0,0,0,0|1,0,1]=4 5781 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,2,0,0,0,0|1,0,1]=4 5782 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,2,0,0,0,0|1,0,1]=4 5783 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,2,0,0,0,0|1,0,1]=4 5784 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,2,0,0,0,0|1,0,1]=4 5785 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,0,0,0,0|1,0,1]=4 5786 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,2,0,0,0,0|1,0,1]=4 5787 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,2,0,0,0,0|1,0,1]=4 5788 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,2,0,0,0,0|1,0,1]=4 5789 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,2,0,0,0,0|1,0,1]=4 5790 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,2,0,0,0,0|1,0,1]=4 5791 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,2,0,0,0,0|1,0,1]=4 5792 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,2,0,0,0,0|1,0,1]=4 5793 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,2,0,0,0,0|1,0,1]=4 5794 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,2,0,0,0,0|1,0,1]=4 5795 B10R0.74 C=CC(C)SCCCCOC 62a_100011215867_100000730899 [0,2,0,0,0,0|1,0,1]=4 5796 B10R0.74 C=CC(C)SCCCOCC 62a_100011215867_100012232248 [0,2,0,0,0,0|1,0,1]=4 5797 B10R0.74 C=CC(C)SCCOCCC 62a_100011215867_100011215938 [0,2,0,0,0,0|1,0,1]=4 5798 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,2,0,0,0,0|1,0,1]=4 5799 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|0,0,2]=4 5800 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 5801 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 5802 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,2,0,0,0,0|0,0,2]=4 5803 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,2,0,0,0,0|0,0,2]=4 5804 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,2,0,0,0,0|0,0,2]=4 5805 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,2,0,0,0,0|0,0,2]=4 5806 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,2,0,0,0,0|0,0,2]=4 5807 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,2,0,0,0,0|0,0,2]=4 5808 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|0,0,2]=4 5809 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|0,0,2]=4 5810 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,2,0,0,0,0|0,0,2]=4 5811 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,2,0,0,0,0|0,0,2]=4 5812 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,2,0,0,0,0|0,0,2]=4 5813 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,2,0,0,0,0|0,0,2]=4 5814 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,2,0,0,0,0|0,0,2]=4 5815 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 5816 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,2,0,0,0,0|0,0,2]=4 5817 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,2,0,0,0,0|0,0,2]=4 5818 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,2,0,0,0,0|0,0,2]=4 5819 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,2,0,0,0,0|0,0,2]=4 5820 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,2,0,0,0,0|0,0,2]=4 5821 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,2,0,0,0,0|0,0,2]=4 5822 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,2,0,0,0,0|0,0,2]=4 5823 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,2,0,0,0,0|0,0,2]=4 5824 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|0,0,2]=4 5825 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|0,0,2]=4 5826 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,2,0,0,0,0|0,0,2]=4 5827 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,2,0,0,0,0|0,0,2]=4 5828 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,2,0,0,0,0|0,0,2]=4 5829 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,2,0,0,0,0|0,0,2]=4 5830 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,2,0,0,0,0|0,0,2]=4 5831 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,2,0,0,0,0|0,0,2]=4 5832 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,2,0,0,0,0|0,0,2]=4 5833 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,2,0,0,0,0|0,0,2]=4 5834 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,2,0,0,0,0|0,0,2]=4 5835 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,2,0,0,0,0|0,0,2]=4 5836 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|0,0,0]=2 5837 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|0,0,2]=4 5838 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|0,0,2]=4 5839 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|1,0,1]=4 5840 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|1,0,1]=4 5841 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|1,0,1]=4 5842 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|1,0,1]=4 5843 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|1,0,1]=4 5844 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|1,0,1]=4 5845 B10R0.74 C=CCCCCNC(=O)C=C 1626a_100000703577_100000185746 [0,2,0,0,0,0|0,0,1]=3 5846 B10R0.74 C=CCCCCNC(=O)C=C 240690a_100000703577_200121576911 [0,2,0,0,0,0|0,0,1]=3 5847 B10R0.74 C=CCNCCNC(=O)C=C 2230a_114873766552_100000210623 [0,2,0,0,0,0|0,0,2]=4 5848 B10R0.74 C=CCNCCOC(=O)C=C 2230a_100020586998_100009813456 [0,2,0,0,0,0|0,0,2]=4 5849 B10R0.74 C=CCOCCNC(=O)C=C 34a_100011304386_100015514636 [0,2,0,0,0,0|0,0,2]=4 5850 B10R0.74 C=CCOCCOC(=O)C=C 34a_200000210373_100009813456 [0,2,0,0,0,0|0,0,2]=4 5851 B10R0.74 C=CCSCCOC(=O)C=C 62a_100000210623_100009813456 [0,2,0,0,0,0|0,0,2]=4 5852 B10R0.74 C=CCSCCOC(=O)C=C 62a_100009813456_100000210623 [0,2,0,0,0,0|0,0,2]=4 5853 B10R0.74 C=COCCCNC(=O)C=C 1626a_100000210767_100000185746 [0,2,0,0,0,0|0,0,2]=4 5854 B10R0.74 C=COCCCNC(=O)C=C 240690a_100000210767_200121576911 [0,2,0,0,0,0|0,0,2]=4 5855 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,1]=4 5856 B10R0.74 C=C[C@H](N)COCCCCF 34a_100016989147_100000729493 [0,2,0,0,0,0|1,0,1]=4 5857 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,2,0,0,0,0|1,0,1]=4 5858 B10R0.74 C=C[C@H](N)COCCCOC 34a_100016989147_100000740836 [0,2,0,0,0,0|1,0,1]=4 5859 B10R0.74 C=C[C@H](N)COCCOCC 34a_100016989147_100000210147 [0,2,0,0,0,0|1,0,1]=4 5860 B10R0.74 C=C[C@H](N)COCCSCC 34a_100016989147_100000757381 [0,2,0,0,0,0|1,0,1]=4 5861 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|0,0,2]=4 5862 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|0,0,2]=4 5863 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,2]=4 5864 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,2]=4 5865 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|0,0,2]=4 5866 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|0,0,2]=4 5867 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|0,0,2]=4 5868 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|0,0,2]=4 5869 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|0,0,2]=4 5870 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|0,0,2]=4 5871 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|0,0,2]=4 5872 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|0,0,2]=4 5873 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|0,0,2]=4 5874 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|0,0,2]=4 5875 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|0,0,2]=4 5876 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|0,0,2]=4 5877 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|0,0,2]=4 5878 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|0,0,2]=4 5879 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|0,0,2]=4 5880 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|0,0,2]=4 5881 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|0,0,2]=4 5882 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|1,0,1]=4 5883 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|1,0,1]=4 5884 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|1,0,1]=4 5885 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|1,0,1]=4 5886 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|1,0,1]=4 5887 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|0,0,2]=4 5888 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|1,0,1]=4 5889 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|1,0,1]=4 5890 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|0,0,2]=4 5891 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|1,0,1]=4 5892 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|1,0,1]=4 5893 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|1,0,1]=4 5894 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|1,0,1]=4 5895 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|0,0,2]=4 5896 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|0,0,2]=4 5897 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|1,0,1]=4 5898 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|1,0,1]=4 5899 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|1,0,1]=4 5900 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|1,0,1]=4 5901 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|1,0,1]=4 5902 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|1,0,1]=4 5903 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 5904 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 5905 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 5906 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 5907 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|1,0,1]=4 5908 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|1,0,1]=4 5909 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|1,0,1]=4 5910 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|1,0,1]=4 5911 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|1,0,1]=4 5912 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|1,0,1]=4 5913 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|1,0,1]=4 5914 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|1,0,1]=4 5915 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|1,0,1]=4 5916 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|1,0,1]=4 5917 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|1,0,1]=4 5918 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|0,0,2]=4 5919 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|1,0,1]=4 5920 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|1,0,1]=4 5921 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|1,0,1]=4 5922 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|1,0,1]=4 5923 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|0,0,2]=4 5924 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|0,0,2]=4 5925 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|1,0,1]=4 5926 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|1,0,1]=4 5927 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|1,0,1]=4 5928 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,1]=4 5929 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,1]=4 5930 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|0,0,2]=4 5931 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|0,0,2]=4 5932 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|1,0,1]=4 5933 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|1,0,1]=4 5934 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|1,0,1]=4 5935 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|1,0,1]=4 5936 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|1,0,1]=4 5937 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|1,0,1]=4 5938 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|1,0,1]=4 5939 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|1,0,1]=4 5940 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|1,0,1]=4 5941 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|1,0,1]=4 5942 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|0,0,2]=4 5943 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|1,0,1]=4 5944 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|1,0,1]=4 5945 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|1,0,1]=4 5946 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|1,0,1]=4 5947 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|1,0,1]=4 5948 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|1,0,1]=4 5949 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|1,0,1]=4 5950 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|1,0,1]=4 5951 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|1,0,1]=4 5952 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|1,0,1]=4 5953 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,1]=4 5954 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|1,0,1]=4 5955 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|1,0,1]=4 5956 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|0,0,2]=4 5957 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|1,0,1]=4 5958 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|1,0,1]=4 5959 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|2,0,0]=4 5960 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|1,0,1]=4 5961 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|0,0,2]=4 5962 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|0,0,2]=4 5963 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|0,0,2]=4 5964 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|0,0,2]=4 5965 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|0,0,2]=4 5966 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|1,0,1]=4 5967 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|1,0,1]=4 5968 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|1,0,1]=4 5969 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|1,0,1]=4 5970 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|1,0,1]=4 5971 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|1,0,1]=4 5972 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|1,0,1]=4 5973 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|1,0,1]=4 5974 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|1,0,1]=4 5975 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|0,0,2]=4 5976 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|1,0,1]=4 5977 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,1]=4 5978 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|1,0,1]=4 5979 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|1,0,1]=4 5980 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|1,0,1]=4 5981 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|1,0,1]=4 5982 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|0,0,2]=4 5983 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|0,0,2]=4 5984 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|0,0,2]=4 5985 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|1,0,1]=4 5986 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|1,0,1]=4 5987 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|1,0,1]=4 5988 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|1,0,1]=4 5989 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|1,0,1]=4 5990 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|1,0,1]=4 5991 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|1,0,1]=4 5992 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|1,0,1]=4 5993 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|1,0,1]=4 5994 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|1,0,1]=4 5995 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|1,0,1]=4 5996 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|1,0,1]=4 5997 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|1,0,1]=4 5998 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|1,0,1]=4 5999 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|1,0,1]=4 6000 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 6001 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 6002 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 6003 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 6004 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,0,1]=4 6005 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,0,1]=4 6006 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|1,0,1]=4 6007 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|1,0,1]=4 6008 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|1,0,1]=4 6009 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|1,0,1]=4 6010 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|1,0,1]=4 6011 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|1,0,1]=4 6012 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|1,0,1]=4 6013 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|1,0,1]=4 6014 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|1,0,1]=4 6015 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|1,0,1]=4 6016 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|1,0,1]=4 6017 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|0,0,2]=4 6018 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|0,0,2]=4 6019 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|1,0,1]=4 6020 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|1,0,1]=4 6021 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|1,0,1]=4 6022 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|1,0,1]=4 6023 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|1,0,1]=4 6024 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|1,0,1]=4 6025 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|0,0,2]=4 6026 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|0,0,2]=4 6027 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|1,0,1]=4 6028 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|1,0,1]=4 6029 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|1,0,1]=4 6030 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|1,0,1]=4 6031 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,2,0,0,0,0|1,0,1]=4 6032 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,2,0,0,0,0|1,0,1]=4 6033 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|1,0,1]=4 6034 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|1,0,1]=4 6035 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|1,0,1]=4 6036 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|1,0,1]=4 6037 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|1,0,1]=4 6038 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|1,0,1]=4 6039 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|1,0,1]=4 6040 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|0,0,2]=4 6041 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|0,0,2]=4 6042 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|1,0,1]=4 6043 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|1,0,1]=4 6044 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|1,0,1]=4 6045 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|1,0,1]=4 6046 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|1,0,1]=4 6047 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|1,0,1]=4 6048 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|1,0,1]=4 6049 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|0,0,2]=4 6050 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|0,0,2]=4 6051 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|1,0,1]=4 6052 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|1,0,1]=4 6053 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|1,0,1]=4 6054 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|1,0,1]=4 6055 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|1,0,1]=4 6056 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,0,1]=4 6057 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,0,1]=4 6058 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,0,1]=4 6059 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,0,1]=4 6060 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|1,0,1]=4 6061 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|1,0,1]=4 6062 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|1,0,1]=4 6063 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|1,0,1]=4 6064 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|1,0,1]=4 6065 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|1,0,1]=4 6066 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|1,0,1]=4 6067 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|1,0,1]=4 6068 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|1,0,1]=4 6069 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|1,0,1]=4 6070 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|1,0,1]=4 6071 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|1,0,1]=4 6072 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|1,0,1]=4 6073 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|1,0,1]=4 6074 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|1,0,1]=4 6075 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|1,0,1]=4 6076 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|1,0,1]=4 6077 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|1,0,1]=4 6078 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|1,0,1]=4 6079 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|1,0,1]=4 6080 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|1,0,1]=4 6081 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|1,0,1]=4 6082 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|1,0,1]=4 6083 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|1,0,1]=4 6084 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|1,0,1]=4 6085 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|1,0,1]=4 6086 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|1,0,1]=4 6087 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|1,0,1]=4 6088 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|1,0,1]=4 6089 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|1,0,1]=4 6090 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|1,0,1]=4 6091 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|1,0,1]=4 6092 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|1,0,1]=4 6093 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|1,0,1]=4 6094 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|1,0,1]=4 6095 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|1,0,1]=4 6096 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|1,0,1]=4 6097 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|1,0,1]=4 6098 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|1,0,1]=4 6099 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|1,0,1]=4 6100 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|1,0,1]=4 6101 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|1,0,1]=4 6102 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|1,0,1]=4 6103 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|1,0,1]=4 6104 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|1,0,1]=4 6105 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|1,0,1]=4 6107 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|1,0,1]=4 6108 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|1,0,1]=4 6109 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|1,0,1]=4 6110 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|1,0,1]=4 6111 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|1,0,1]=4 6112 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|1,0,1]=4 6113 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|1,0,1]=4 6114 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|1,0,1]=4 6115 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|1,0,1]=4 6116 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|1,0,1]=4 6117 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 6118 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 6119 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|1,0,1]=4 6120 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|1,0,1]=4 6121 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|1,0,1]=4 6122 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|1,0,1]=4 6123 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 6124 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 6125 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|1,0,1]=4 6126 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|1,0,1]=4 6127 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|1,0,1]=4 6128 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|1,0,1]=4 6129 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 6130 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|1,0,1]=4 6131 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,0,1]=4 6132 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,0,1]=4 6133 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|1,0,1]=4 6134 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|1,0,1]=4 6135 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|1,0,1]=4 6136 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|1,0,1]=4 6137 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|1,0,1]=4 6138 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 6139 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|1,0,1]=4 6140 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|1,0,1]=4 6141 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|1,0,1]=4 6142 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|1,0,1]=4 6143 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|1,0,1]=4 6144 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|1,0,1]=4 6145 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|1,0,1]=4 6146 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|1,0,1]=4 6147 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|1,0,1]=4 6148 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|1,0,1]=4 6149 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|1,0,1]=4 6150 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,1]=4 6151 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|1,0,1]=4 6152 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|1,0,1]=4 6153 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|1,0,1]=4 6154 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|1,0,1]=4 6155 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|1,0,1]=4 6156 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|1,0,1]=4 6157 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|1,0,1]=4 6158 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|1,0,1]=4 6159 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|1,0,1]=4 6160 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|1,0,1]=4 6161 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|1,0,1]=4 6162 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|1,0,1]=4 6163 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|1,0,1]=4 6164 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|1,0,1]=4 6165 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|1,0,1]=4 6166 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|1,0,1]=4 6167 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|1,0,1]=4 6168 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|1,0,1]=4 6169 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|1,0,1]=4 6170 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|1,0,1]=4 6171 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|1,0,1]=4 6172 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|1,0,1]=4 6173 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|1,0,1]=4 6174 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|1,0,1]=4 6175 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|1,0,1]=4 6176 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|1,0,1]=4 6177 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|1,0,1]=4 6178 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|1,0,1]=4 6179 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|1,0,1]=4 6180 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|1,0,1]=4 6181 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|1,0,1]=4 6182 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|1,0,1]=4 6183 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|1,0,1]=4 6184 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|1,0,1]=4 6185 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|1,0,1]=4 6186 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|1,0,1]=4 6187 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 6188 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 6189 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|1,0,1]=4 6190 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,1]=4 6191 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 6192 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 6193 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 6194 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 6195 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,1]=4 6196 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 6197 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|1,0,1]=4 6198 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|1,0,1]=4 6199 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|1,0,1]=4 6200 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|1,0,1]=4 6201 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 6202 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,1]=4 6203 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|1,0,1]=4 6204 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|1,0,1]=4 6205 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|1,0,1]=4 6206 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|1,0,1]=4 6207 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|1,0,1]=4 6208 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|1,0,1]=4 6209 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|1,0,1]=4 6210 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|1,0,1]=4 6211 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|1,0,1]=4 6212 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|1,0,1]=4 6213 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,0,1]=4 6214 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|1,0,1]=4 6215 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|1,0,1]=4 6216 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|1,0,1]=4 6217 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|1,0,1]=4 6218 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|1,0,1]=4 6219 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 6220 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|1,0,1]=4 6221 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|1,0,1]=4 6224 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|1,0,1]=4 6225 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|1,0,1]=4 6226 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,1]=4 6227 B10R0.75 C#CCCCCC(=O)C(=C)C 1458a_100000185857_100010269958 [0,2,0,0,0,0|0,0,1]=3 6228 B10R0.75 C#CCCCNC(=O)C(=C)Br 11a_100000718082_100009813364 [0,2,0,0,0,0|0,0,2]=4 6229 B10R0.75 C#CCCCNC(=O)C(=C)Br 1626a_100000718082_100009813364 [0,2,0,0,0,0|0,0,2]=4 6230 B10R0.75 C#CCCCNC(=O)C(=C)C 11a_100000718082_100000185857 [0,2,0,0,0,0|0,0,2]=4 6231 B10R0.75 C#CCCCNC(=O)C(=C)C 1626a_100000718082_100000185857 [0,2,0,0,0,0|0,0,2]=4 6232 B10R0.75 C#CCCCNC(=O)C(=C)Cl 11a_100000718082_100000039160 [0,2,0,0,0,0|0,0,2]=4 6233 B10R0.75 C#CCCCNC(=O)C(=C)Cl 1626a_100000718082_100000039160 [0,2,0,0,0,0|0,0,2]=4 6234 B10R0.75 C#CCCCNC(=O)C(=C)F 11a_100000718082_100000036797 [0,2,0,0,0,0|0,0,2]=4 6235 B10R0.75 C#CCCCNC(=O)C(=C)F 1626a_100000718082_100000036797 [0,2,0,0,0,0|0,0,2]=4 6236 B10R0.75 C#CCOCCC(=O)C(=C)C 1458a_100000185857_100010402529 [0,2,0,0,0,0|0,0,2]=4 6237 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,2,0,0,0,0|0,0,0]=2 6238 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,2,0,0,0,0|0,0,0]=2 6239 B10R0.75 C=C(Br)C(=O)NCCCOC 1626a_100150723488_100009813364 [0,2,0,0,0,0|1,0,0]=3 6240 B10R0.75 C=C(Br)C(=O)NCCCSC 11a_100000749238_100009813364 [0,2,0,0,0,0|1,0,0]=3 6241 B10R0.75 C=C(Br)C(=O)NCCCSC 1626a_100000749238_100009813364 [0,2,0,0,0,0|1,0,0]=3 6242 B10R0.75 C=C(Br)C(=O)NCCOCC 11a_100011200944_100009813364 [0,2,0,0,0,0|1,0,0]=3 6243 B10R0.75 C=C(Br)C(=O)NCCOCC 1626a_102516460346_100009813364 [0,2,0,0,0,0|1,0,0]=3 6244 B10R0.75 C=C(Br)C(=O)NCCSCC 11a_100000106463_100009813364 [0,2,0,0,0,0|1,0,0]=3 6245 B10R0.75 C=C(Br)C(=O)NCCSCC 1626a_100000106463_100009813364 [0,2,0,0,0,0|1,0,0]=3 6246 B10R0.75 C=C(C)C(=NNCCCC)C 4a_100025702795_100011216138 [0,2,0,0,0,0|2,0,0]=4 6247 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,2,0,0,0,0|0,0,1]=3 6248 B10R0.75 C=C(C)C(=O)CCCCC#N 1458a_100000185857_100000211819 [0,2,0,0,0,0|0,0,1]=3 6249 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|0,0,0]=2 6250 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|0,0,0]=2 6251 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|0,0,0]=2 6252 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|0,0,0]=2 6253 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|0,0,0]=2 6254 B10R0.75 C=C(C)C(=O)CCOCC#N 1458a_100000185857_200000047693 [0,2,0,0,0,0|1,0,1]=4 6255 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|0,0,0]=2 6256 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [0,2,0,0,0,0|1,0,0]=3 6257 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|0,0,0]=2 6258 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|0,0,0]=2 6259 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|0,0,0]=2 6260 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|1,0,0]=3 6261 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|1,0,0]=3 6262 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|1,0,0]=3 6263 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 6264 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 6265 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,2,0,0,0,0|1,0,0]=3 6266 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|1,0,0]=3 6267 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|1,0,0]=3 6268 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|1,0,0]=3 6269 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|1,0,0]=3 6270 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,2,0,0,0,0|1,0,0]=3 6271 B10R0.75 C=C(C)C(=O)NNCCOC 22a_100000741390_100000185857 [0,2,0,0,0,0|2,0,0]=4 6272 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|1,0,0]=3 6273 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|1,0,0]=3 6274 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|1,0,0]=3 6275 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|1,0,0]=3 6276 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|1,0,0]=3 6277 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|1,0,0]=3 6278 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100009816335_100015361967 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100015361967_100009816335 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|1,0,1]=4 6281 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,2,0,0,0,0|0,0,0]=2 6282 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,2,0,0,0,0|0,0,0]=2 6283 B10R0.75 C=C(Cl)C(=O)NCCCOC 1626a_100150723488_100000039160 [0,2,0,0,0,0|1,0,0]=3 6284 B10R0.75 C=C(Cl)C(=O)NCCCSC 11a_100000749238_100000039160 [0,2,0,0,0,0|1,0,0]=3 6285 B10R0.75 C=C(Cl)C(=O)NCCCSC 1626a_100000749238_100000039160 [0,2,0,0,0,0|1,0,0]=3 6286 B10R0.75 C=C(Cl)C(=O)NCCOCC 11a_100011200944_100000039160 [0,2,0,0,0,0|1,0,0]=3 6287 B10R0.75 C=C(Cl)C(=O)NCCOCC 1626a_102516460346_100000039160 [0,2,0,0,0,0|1,0,0]=3 6288 B10R0.75 C=C(Cl)C(=O)NCCSCC 11a_100000106463_100000039160 [0,2,0,0,0,0|1,0,0]=3 6289 B10R0.75 C=C(Cl)C(=O)NCCSCC 1626a_100000106463_100000039160 [0,2,0,0,0,0|1,0,0]=3 6290 B10R0.75 C=C(Cl)C(=O)NNCCCC 22a_100025702795_100000039160 [0,2,0,0,0,0|1,0,0]=3 6291 B10R0.75 C=C(Cl)C(=O)NNCCOC 22a_100000741390_100000039160 [0,2,0,0,0,0|2,0,0]=4 6292 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,2,0,0,0,0|0,0,0]=2 6293 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,2,0,0,0,0|0,0,0]=2 6294 B10R0.75 C=C(F)C(=O)NCCCOC 1626a_100150723488_100000036797 [0,2,0,0,0,0|1,0,0]=3 6295 B10R0.75 C=C(F)C(=O)NCCCSC 11a_100000749238_100000036797 [0,2,0,0,0,0|1,0,0]=3 6296 B10R0.75 C=C(F)C(=O)NCCCSC 1626a_100000749238_100000036797 [0,2,0,0,0,0|1,0,0]=3 6297 B10R0.75 C=C(F)C(=O)NCCOCC 11a_100011200944_100000036797 [0,2,0,0,0,0|1,0,0]=3 6298 B10R0.75 C=C(F)C(=O)NCCOCC 1626a_102516460346_100000036797 [0,2,0,0,0,0|1,0,0]=3 6299 B10R0.75 C=C(F)C(=O)NCCSCC 11a_100000106463_100000036797 [0,2,0,0,0,0|1,0,0]=3 6300 B10R0.75 C=C(F)C(=O)NCCSCC 1626a_100000106463_100000036797 [0,2,0,0,0,0|1,0,0]=3 6301 B10R0.75 C=C(F)C(=O)NNCCCC 22a_100025702795_100000036797 [0,2,0,0,0,0|1,0,0]=3 6302 B10R0.75 C=C(F)C(=O)NNCCOC 22a_100000741390_100000036797 [0,2,0,0,0,0|2,0,0]=4 6303 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,2,0,0,0,0|0,0,1]=3 6304 B10R0.75 C=CCCCNC(=O)C(=C)Br 11a_100000700776_100009813364 [0,2,0,0,0,0|0,0,2]=4 6305 B10R0.75 C=CCCCNC(=O)C(=C)Br 1626a_100000700776_100009813364 [0,2,0,0,0,0|0,0,2]=4 6306 B10R0.75 C=CCCCNC(=O)C(=C)C 11a_100000700776_100000185857 [0,2,0,0,0,0|0,0,2]=4 6307 B10R0.75 C=CCCCNC(=O)C(=C)C 1626a_100000700776_100000185857 [0,2,0,0,0,0|0,0,2]=4 6308 B10R0.75 C=CCCCNC(=O)C(=C)Cl 11a_100000700776_100000039160 [0,2,0,0,0,0|0,0,2]=4 6309 B10R0.75 C=CCCCNC(=O)C(=C)Cl 1626a_100000700776_100000039160 [0,2,0,0,0,0|0,0,2]=4 6310 B10R0.75 C=CCCCNC(=O)C(=C)F 11a_100000700776_100000036797 [0,2,0,0,0,0|0,0,2]=4 6311 B10R0.75 C=CCCCNC(=O)C(=C)F 1626a_100000700776_100000036797 [0,2,0,0,0,0|0,0,2]=4 6312 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|1,0,1]=4 6313 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|1,0,1]=4 6314 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|1,0,1]=4 6315 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|1,0,1]=4 6316 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|1,0,1]=4 6317 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|1,0,1]=4 6318 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|1,0,1]=4 6319 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|1,0,1]=4 6320 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|1,0,1]=4 6321 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|0,0,2]=4 6322 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|0,0,2]=4 6323 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|0,0,2]=4 6324 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|0,0,2]=4 6325 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|0,0,2]=4 6326 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|0,0,2]=4 6327 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|0,0,2]=4 6328 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|0,0,2]=4 6329 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|1,0,1]=4 6330 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|1,0,1]=4 6331 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|1,0,1]=4 6332 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|1,0,1]=4 6333 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|1,0,1]=4 6334 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,2]=4 6335 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,2]=4 6336 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|1,0,0]=3 6337 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 6338 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 6339 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 6340 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 6341 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 6342 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 6343 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 6344 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 6345 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 6346 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 6347 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 6348 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|1,0,1]=4 6349 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,1]=4 6350 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|1,0,1]=4 6351 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|0,0,2]=4 6352 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|0,0,2]=4 6353 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|0,0,2]=4 6354 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|0,0,2]=4 6355 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|0,0,2]=4 6356 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|1,0,1]=4 6357 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|1,0,1]=4 6358 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|1,0,1]=4 6359 B10R0.75 CCCCNNC(=O)C(=O)N 22a_100025702795_100011215815 [0,2,0,0,0,0|2,0,0]=4 6360 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|0,0,1]=3 6361 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|0,0,2]=4 6362 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|0,0,2]=4 6363 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|0,0,2]=4 6364 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|0,0,2]=4 6365 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|0,0,2]=4 6366 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,1]=4 6367 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 6368 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 6369 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 6370 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|1,0,1]=4 6371 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|1,0,1]=4 6372 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|1,0,1]=4 6373 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|0,0,2]=4 6374 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|0,0,2]=4 6375 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|0,0,1]=3 6376 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|0,0,1]=3 6377 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|0,0,2]=4 6378 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|0,0,2]=4 6379 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|0,0,2]=4 6380 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 6381 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 6382 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 6383 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|1,0,1]=4 6384 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|1,0,1]=4 6385 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|1,0,1]=4 6386 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|1,0,1]=4 6387 B10R0.75 CCCOCCC(=C(F)F)F 34a_100000068906_100000210303 [0,2,0,0,0,0|2,0,0]=4 6388 B10R0.75 CCCOCCC(=C(F)F)F 34a_100000210258_100009813398 [0,2,0,0,0,0|2,0,0]=4 6389 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|0,0,2]=4 6390 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|0,0,2]=4 6391 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|1,0,1]=4 6392 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|1,0,1]=4 6393 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|0,0,2]=4 6394 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|0,0,2]=4 6395 B10R0.75 CCCSCCC(=C(F)F)F 62a_100000210303_100009813398 [0,2,0,0,0,0|2,0,0]=4 6396 B10R0.75 CCCSCCC(=C(F)F)F 62a_100009813398_100000210303 [0,2,0,0,0,0|2,0,0]=4 6397 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|1,0,1]=4 6398 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|1,0,1]=4 6399 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|1,0,1]=4 6400 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|1,0,1]=4 6401 B10R0.75 CCOCCCC(=C(F)F)F 34a_100000036257_100000210202 [0,2,0,0,0,0|2,0,0]=4 6402 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|0,0,2]=4 6403 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|0,0,2]=4 6404 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|1,0,1]=4 6405 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|0,0,2]=4 6406 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|0,0,2]=4 6407 B10R0.75 CCOCCNC(=O)C(=O)N 240690a_100011200944_100011215815 [0,2,0,0,0,0|2,0,0]=4 6408 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|1,0,1]=4 6409 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|1,0,1]=4 6410 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|1,0,1]=4 6411 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|1,0,1]=4 6412 B10R0.75 CCSCCNC(=O)C(=O)N 240690a_100000106463_100011215815 [0,2,0,0,0,0|2,0,0]=4 6413 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|1,0,1]=4 6414 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|1,0,1]=4 6415 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|1,0,1]=4 6416 B10R0.75 CNCCCCC(=C(F)F)F 2230a_106832991635_200009813713 [0,2,0,0,0,0|2,0,0]=4 6417 B10R0.75 CNCCCCC(=C(F)F)F 34a_100102657272_200009813713 [0,2,0,0,0,0|2,0,0]=4 6418 B10R0.75 CNCCCCC(=C(F)F)F 7a_106832991635_200009813713 [0,2,0,0,0,0|2,0,0]=4 6419 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|1,0,1]=4 6420 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|1,0,1]=4 6421 B10R0.75 COCCCCC(=C(F)F)F 34a_100138415774_200009813713 [0,2,0,0,0,0|2,0,0]=4 6422 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|0,0,2]=4 6423 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|0,0,2]=4 6424 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,0,1]=4 6425 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|1,0,1]=4 6426 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|0,0,2]=4 6427 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|0,0,2]=4 6428 B10R0.75 COCCCNC(=O)C(=O)N 240690a_100150723488_100011215815 [0,2,0,0,0,0|2,0,0]=4 6429 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,0,1]=4 6430 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,0,1]=4 6431 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,0,1]=4 6432 B10R0.75 CSCCCCC(=C(F)F)F 62a_200000210301_200009813713 [0,2,0,0,0,0|2,0,0]=4 6433 B10R0.75 CSCCCCC(=C(F)F)F 62a_200009813713_200000210301 [0,2,0,0,0,0|2,0,0]=4 6434 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|1,0,1]=4 6435 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|1,0,1]=4 6436 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,2,0,0,0,0|2,0,0]=4 6437 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,1]=4 6438 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,1]=4 6439 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,1]=4 6440 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|0,0,2]=4 6441 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|0,0,2]=4 6442 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|0,0,2]=4 6443 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|0,0,2]=4 6444 B10R0.75 NC(=O)C(=O)NCCCCO 240690a_100000750430_100011215815 [0,2,0,0,0,0|2,0,0]=4 6445 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,1]=4 6446 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,1]=4 6447 B10R0.75 [13CH3]SCCCCC(=C(F)F)F 62a_200009813713_200025704644 [0,2,0,0,0,0|2,0,0]=4 6448 B10R0.75 [13CH3]SCCCCC(=C(F)F)F 62a_200025704644_200009813713 [0,2,0,0,0,0|2,0,0]=4 6449 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|0,0,2]=4 6450 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|0,0,2]=4 6451 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|0,0,2]=4 6452 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100000212188_200000243211 [0,2,0,0,0,0|1,0,1]=4 6453 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210326 [0,2,0,0,0,0|1,0,1]=4 6454 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|1,0,1]=4 6455 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 6456 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,0,0,1,0,0|1,0,1]=4 6457 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 6458 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 6459 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 6460 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|1,0,1]=4 6461 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,1]=4 6462 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,1]=4 6463 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,1]=4 6464 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|1,0,1]=4 6465 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,1]=4 6466 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,1]=4 6467 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,1]=4 6468 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [1,0,0,1,0,0|1,0,1]=4 6469 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [1,0,0,1,0,0|1,0,1]=4 6470 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,1,0,0|1,0,1]=4 6471 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,1,0,0|1,0,1]=4 6472 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,0,1]=4 6473 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,0,1]=4 6474 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,1,0,0|1,0,1]=4 6475 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [1,0,0,1,0,0|1,0,1]=4 6476 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [1,0,0,1,0,0|1,0,1]=4 6477 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [1,0,0,1,0,0|1,0,1]=4 6478 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [1,0,0,1,0,0|1,0,1]=4 6479 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [1,0,0,1,0,0|1,0,1]=4 6480 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [1,0,0,1,0,0|1,0,1]=4 6481 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [1,0,0,1,0,0|1,0,1]=4 6482 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [1,0,0,1,0,0|1,0,1]=4 6483 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [1,0,0,1,0,0|1,0,1]=4 6484 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|1,0,1]=4 6485 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|1,0,1]=4 6486 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|1,0,1]=4 6487 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|1,0,1]=4 6488 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|1,0,1]=4 6489 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|1,0,1]=4 6490 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [1,0,0,1,0,0|1,0,1]=4 6491 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [1,0,0,1,0,0|1,0,1]=4 6492 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [1,0,0,1,0,0|1,0,1]=4 6493 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [1,0,0,1,0,0|1,0,1]=4 6494 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [1,0,0,1,0,0|1,0,1]=4 6495 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [1,0,0,1,0,0|1,0,1]=4 6496 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [1,0,0,1,0,0|1,0,1]=4 6497 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|1,0,1]=4 6498 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|1,0,1]=4 6499 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|0,0,2]=4 6500 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|0,0,0]=2 6501 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [1,0,0,1,0,0|1,0,0]=3 6502 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [1,0,0,1,0,0|1,0,0]=3 6503 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,2]=4 6504 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,2]=4 6505 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,1]=4 6506 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 6507 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 6508 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 6509 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|1,0,1]=4 6510 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|1,0,1]=4 6511 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|0,0,2]=4 6512 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|0,0,0]=2 6513 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [1,0,0,1,0,0|1,0,0]=3 6514 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|1,0,0]=3 6515 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [1,0,0,1,0,0|1,0,0]=3 6516 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [1,0,0,1,0,0|1,0,0]=3 6517 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [1,0,0,1,0,0|1,0,0]=3 6518 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,2]=4 6519 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,2]=4 6520 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,1]=4 6521 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 6522 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 6523 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 6524 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,1]=4 6525 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,1]=4 6526 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,1]=4 6527 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,2]=4 6528 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,1]=4 6529 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 6530 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 6531 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 6532 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 6533 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 6534 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 6535 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [1,0,0,1,0,0|2,0,0]=4 6536 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [1,0,0,1,0,0|2,0,0]=4 6537 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [1,0,0,1,0,0|2,0,0]=4 6538 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|1,0,1]=4 6539 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 6540 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 6541 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|1,0,1]=4 6542 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,1]=4 6543 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,1]=4 6544 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|1,0,1]=4 6545 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,1]=4 6546 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,1]=4 6547 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,1]=3 6548 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,1]=3 6549 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,1]=4 6550 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,1]=4 6551 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,1]=4 6552 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,1]=4 6553 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,1]=4 6554 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,1]=4 6555 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,1]=3 6556 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,1]=4 6557 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,1]=4 6558 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,1]=4 6559 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 6560 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 6561 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,1]=4 6562 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 6563 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 6564 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [1,0,0,1,0,0|2,0,0]=4 6565 B8R1.34 C=C(F)CN1CCC1 269982a_100000754969_100009893438 [1,0,0,1,0,0|2,0,0]=4 6566 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,1]=3 6567 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,1]=3 6568 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,1]=4 6569 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,1]=4 6570 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,1]=4 6571 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 6572 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 6573 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 6574 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,1]=4 6575 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 6576 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|2,0,0]=4 6577 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,1]=3 6578 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,1]=4 6579 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [1,0,0,1,0,0|2,0,0]=4 6580 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [1,0,0,1,0,0|2,0,0]=4 6581 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [1,0,0,1,0,0|2,0,0]=4 6582 B8R1.35 C=C(F)CNC1CC1 34a_100000212008_100009893438 [1,0,0,1,0,0|2,0,0]=4 6583 B8R1.35 C=C(F)COC1CC1 34a_200010262243_100000211595 [1,0,0,1,0,0|2,0,0]=4 6584 B8R1.35 C=C(F)CSC1CC1 62a_100000042424_100000211595 [1,0,0,1,0,0|2,0,0]=4 6585 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,1]=3 6586 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,1]=3 6587 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,1]=4 6588 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|1,0,1]=4 6589 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 6590 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 6591 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 6592 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,1]=4 6593 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 6594 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 6595 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|2,0,0]=4 6596 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|2,0,0]=4 6597 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|2,0,0]=4 6598 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,1]=3 6599 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,1]=3 6600 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,1]=3 6601 B10R1.14 C=CC(=O)N1CCC(C1)O 240690a_100011215560_200121576911 [0,1,0,1,0,0|1,0,0]=3 6602 B10R1.14 C=CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000185746 [0,1,0,1,0,0|1,0,0]=3 6603 B10R1.14 C=CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_200121576911 [0,1,0,1,0,0|1,0,0]=3 6604 B10R1.14 C=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_200121576911 [0,1,0,1,0,0|1,0,0]=3 6605 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|0,0,2]=4 6606 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 6607 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 6608 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|1,0,1]=4 6609 B10R1.150 C=CC(=O)CC1CC(=O)C1 1458a_100000185746_100009874392 [0,1,0,1,0,0|0,0,1]=3 6610 B10R1.150 C=CC(=O)NC1CC(=C)C1 1626a_100132301982_100000185746 [0,1,0,1,0,0|1,0,1]=4 6611 B10R1.150 C=CC(=O)NC1CC(C1)F 1626a_100016993743_100000185746 [0,1,0,1,0,0|1,0,0]=3 6612 B10R1.150 C=CC(=O)NC1CC(C1)F 240690a_100016993743_200121576911 [0,1,0,1,0,0|1,0,0]=3 6613 B10R1.150 C=CC(=O)NC1CN(C1)C 240690a_100015196640_200121576911 [0,1,0,1,0,0|2,0,0]=4 6614 B10R1.150 C=CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000185746 [0,1,0,1,0,0|1,0,0]=3 6615 B10R1.150 C=CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_200121576911 [0,1,0,1,0,0|1,0,0]=3 6616 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,1,0,1,0,0|0,0,2]=4 6617 B10R1.153 C=CC(=NNCC1CC1)C 4a_100000736359_200015361842 [0,1,0,1,0,0|2,0,0]=4 6618 B10R1.153 C=CC(=O)CC#CC1CC1 1458a_100000185746_100009895102 [0,1,0,1,0,0|0,0,1]=3 6619 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|0,0,0]=2 6620 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|0,0,0]=2 6621 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|0,0,0]=2 6622 B10R1.153 C=CC(=O)NNCC1CC1 22a_100000736359_100000185746 [0,1,0,1,0,0|1,0,0]=3 6623 B10R1.153 C=CC(C)COCC1CC1 34a_100011215527_100000742324 [0,1,0,1,0,0|1,0,1]=4 6624 B10R1.153 C=CC(C)COCC1CC1 7a_100011215527_100000742324 [0,1,0,1,0,0|1,0,1]=4 6625 B10R1.153 C=CC(C)OCCC1CC1 34a_100000695699_100000694398 [0,1,0,1,0,0|1,0,1]=4 6626 B10R1.153 C=CC(C)SCCC1CC1 62a_100011215867_100000764125 [0,1,0,1,0,0|1,0,1]=4 6627 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [0,1,0,1,0,0|0,0,2]=4 6628 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [0,1,0,1,0,0|0,0,2]=4 6629 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [0,1,0,1,0,0|0,0,2]=4 6630 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [0,1,0,1,0,0|0,0,2]=4 6631 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [0,1,0,1,0,0|0,0,2]=4 6632 B10R1.153 C=C[C@H](N)COCC1CC1 34a_100016989147_100000742324 [0,1,0,1,0,0|1,0,1]=4 6633 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|0,0,2]=4 6634 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|0,0,2]=4 6635 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|0,0,2]=4 6636 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|0,0,2]=4 6637 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|0,0,2]=4 6638 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|0,0,2]=4 6639 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|0,0,2]=4 6640 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|0,0,2]=4 6641 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|1,0,1]=4 6642 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|1,0,1]=4 6643 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|1,0,1]=4 6644 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|1,0,1]=4 6645 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|1,0,1]=4 6646 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|1,0,1]=4 6647 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|1,0,1]=4 6648 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|1,0,1]=4 6649 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|1,0,1]=4 6650 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|1,0,1]=4 6651 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|1,0,1]=4 6652 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|1,0,1]=4 6653 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|1,0,1]=4 6654 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|1,0,1]=4 6655 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|1,0,1]=4 6656 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|1,0,1]=4 6657 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|1,0,1]=4 6658 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|1,0,1]=4 6659 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|1,0,1]=4 6660 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|1,0,1]=4 6661 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|1,0,1]=4 6662 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|1,0,1]=4 6663 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|1,0,1]=4 6664 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|1,0,1]=4 6665 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|1,0,1]=4 6666 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|1,0,1]=4 6667 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,1]=4 6668 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|1,0,1]=4 6669 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|1,0,1]=4 6670 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|1,0,1]=4 6671 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,1]=4 6672 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,1]=4 6673 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,1]=4 6674 B10R1.428 C=CC(=O)CC1CC1(F)F 1458a_100000185746_100009817841 [0,1,0,1,0,0|1,0,0]=3 6675 B10R1.428 C=CC(=O)NC1CC1(F)F 1626a_100020610826_100000185746 [0,1,0,1,0,0|2,0,0]=4 6676 B10R1.428 C=CC(=O)NC1CC1(F)F 240690a_100020610826_200121576911 [0,1,0,1,0,0|2,0,0]=4 6677 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [0,1,0,1,0,0|2,0,0]=4 6678 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [0,1,0,1,0,0|2,0,0]=4 6679 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [0,1,0,1,0,0|2,0,0]=4 6680 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,1,0,1,0,0|0,0,2]=4 6681 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,1,0,1,0,0|0,0,2]=4 6682 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [0,1,0,1,0,0|0,0,2]=4 6683 B10R1.11 C=CCC(=O)C1CC=CC1 1458a_100000759439_100000210623 [0,1,0,1,0,0|0,0,2]=4 6684 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,1,0,1,0,0|0,0,0]=2 6685 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,1,0,1,0,0|0,0,0]=2 6686 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,1,0,1,0,0|1,0,0]=3 6687 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100000210193_100000690089 [0,1,0,1,0,0|1,0,0]=3 6688 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100011219752_100000210623 [0,1,0,1,0,0|1,0,0]=3 6689 B10R1.11 C=CCC(=O)N1CCCC1 240690a_100000188435_100000210193 [0,1,0,1,0,0|1,0,0]=3 6690 B10R1.11 C=CCC(=O)N1CCCC1 527a_100000188435_100000210193 [0,1,0,1,0,0|1,0,0]=3 6691 B10R1.11 C=CCC(=O)N1CCSC1 11a_100011215254_100000210193 [0,1,0,1,0,0|2,0,0]=4 6692 B10R1.11 C=CCC(=O)N1CCSC1 240690a_100011215254_100000210193 [0,1,0,1,0,0|2,0,0]=4 6693 B10R1.11 C=CCC(=O)N1CCSC1 527a_100011215254_100000210193 [0,1,0,1,0,0|2,0,0]=4 6694 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,1,0,1,0,0|1,0,0]=3 6695 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 6696 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000207505_100000210623 [0,1,0,1,0,0|2,0,0]=4 6697 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000225617_100000179811 [0,1,0,1,0,0|2,0,0]=4 6698 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 6699 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000207505_100000210623 [0,1,0,1,0,0|2,0,0]=4 6700 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000225617_100000179811 [0,1,0,1,0,0|2,0,0]=4 6701 B10R1.11 C=CCN(C)C1CCCC1 270004a_100000225617_100000210133 [0,1,0,1,0,0|2,0,0]=4 6702 B10R1.11 C=CCN(C)C1CCCC1 34a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 6703 B10R1.11 C=CCN(C)C1CCCC1 34a_100000207505_100015514636 [0,1,0,1,0,0|2,0,0]=4 6704 B10R1.11 C=CCN([13CH3])C1CCCC1 2230a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 6705 B10R1.11 C=CCN([13CH3])C1CCCC1 269982a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 6706 B10R1.11 C=CCN([13CH3])C1CCCC1 34a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 6707 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,1,0,1,0,0|0,0,2]=4 6708 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|0,0,0]=2 6709 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,1,0,1,0,0|1,0,0]=3 6710 B10R1.11 CC=CC(=O)N1CCCC1 240690a_100000188435_100000210699 [0,1,0,1,0,0|1,0,0]=3 6711 B10R1.11 CC=CC(=O)N1CCSC1 11a_100011215254_100000210699 [0,1,0,1,0,0|2,0,0]=4 6712 B10R1.11 CC=CC(=O)N1CCSC1 240690a_100011215254_100000210699 [0,1,0,1,0,0|2,0,0]=4 6713 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|0,0,2]=4 6714 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|0,0,2]=4 6715 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|0,0,2]=4 6716 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|0,0,2]=4 6717 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|0,0,2]=4 6718 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,1,0,1,0,0|1,0,1]=4 6719 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|0,0,2]=4 6720 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|0,0,2]=4 6721 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,1,0,1,0,0|0,0,2]=4 6722 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,1,0,1,0,0|0,0,2]=4 6723 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,1,0,1,0,0|0,0,0]=2 6724 B10R1.11 O=C(C=CBr)C1CCOC1 1458a_100016273825_100000690089 [0,1,0,1,0,0|1,0,0]=3 6725 B10R1.11 O=C(C=CBr)N1CCCC1 240690a_100000188435_100016273825 [0,1,0,1,0,0|1,0,0]=3 6726 B10R1.11 O=C(C=CBr)N1CCSC1 240690a_100011215254_100016273825 [0,1,0,1,0,0|2,0,0]=4 6727 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,1,0,1,0,0|0,0,0]=2 6728 B10R1.11 O=C(C=CCl)C1CCOC1 1458a_200016279998_100000690089 [0,1,0,1,0,0|1,0,0]=3 6729 B10R1.11 O=C(C=CCl)N1CCCC1 240690a_100000188435_200016279998 [0,1,0,1,0,0|1,0,0]=3 6730 B10R1.11 O=C(C=CCl)N1CCSC1 11a_100011215254_200016279998 [0,1,0,1,0,0|2,0,0]=4 6731 B10R1.11 O=C(C=CCl)N1CCSC1 240690a_100011215254_200016279998 [0,1,0,1,0,0|2,0,0]=4 6732 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,1,0,1,0,0|0,0,0]=2 6733 B10R1.11 O=C(C=CI)C1CCOC1 1458a_100016256311_100000690089 [0,1,0,1,0,0|1,0,0]=3 6734 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|0,0,2]=4 6735 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|0,0,2]=4 6736 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|0,0,2]=4 6737 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|0,0,2]=4 6738 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,0,2]=4 6739 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,0,2]=4 6740 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,0,2]=4 6741 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,0,2]=4 6742 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,1,0,1,0,0|2,0,0]=4 6743 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,1,0,1,0,0|1,1,0]=4 6744 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,1,0,1,0,0|1,1,0]=4 6745 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [0,1,0,1,0,0|2,0,0]=4 6746 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [0,1,0,1,0,0|2,0,0]=4 6747 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [0,1,0,1,0,0|2,0,0]=4 6748 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [0,1,0,1,0,0|2,0,0]=4 6749 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,1,0,0|1,0,1]=4 6750 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,1,0,0|1,0,1]=4 6751 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,1,0,1,0,0|1,1,0]=4 6752 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,1,0,1,0,0|1,1,0]=4 6753 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,1,0,0|1,0,1]=4 6754 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,1,0,0|1,0,1]=4 6755 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,1,0,1,0,0|1,0,1]=4 6756 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,1,0,1,0,0|1,0,1]=4 6757 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,1,0,1,0,0|1,1,0]=4 6758 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,1,0,1,0,0|1,1,0]=4 6759 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [0,1,0,1,0,0|1,1,0]=4 6760 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [0,1,0,1,0,0|1,1,0]=4 6761 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,1,0,1,0,0|1,0,1]=4 6762 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,1,0,1,0,0|1,0,1]=4 6763 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [0,1,0,1,0,0|1,1,0]=4 6764 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [0,1,0,1,0,0|1,1,0]=4 6765 B10R1.21 CCCCSc1cscn1 62a_100000210211_100000751502 [0,1,0,1,0,0|2,0,0]=4 6766 B10R1.21 CCCCSc1cscn1 62a_100000751502_100000210210 [0,1,0,1,0,0|2,0,0]=4 6767 B10R1.21 CCCCSc1ncc[nH]1 62a_100000210211_100025796157 [0,1,0,1,0,0|2,0,0]=4 6768 B10R1.21 CCCCSc1ncc[nH]1 62a_100025796157_100000210210 [0,1,0,1,0,0|2,0,0]=4 6769 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,1,0,1,0,0|1,0,1]=4 6770 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,1,0,1,0,0|1,0,1]=4 6771 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [0,1,0,1,0,0|1,1,0]=4 6772 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [0,1,0,1,0,0|1,1,0]=4 6773 B10R1.21 CCCNCc1cc[nH]n1 207a_100020643023_100000738523 [0,1,0,1,0,0|2,0,0]=4 6774 B10R1.21 CCCNCc1cc[nH]n1 270004a_100020643023_100000738523 [0,1,0,1,0,0|2,0,0]=4 6775 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,1,0,0|1,0,1]=4 6776 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,1,0,0|1,0,1]=4 6777 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,1,0,0|1,0,1]=4 6778 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,1,0,0|1,0,1]=4 6779 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,1,0,1,0,0|1,1,0]=4 6780 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,1,0,1,0,0|1,1,0]=4 6781 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,1,0,1,0,0|1,1,0]=4 6782 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,1,0,0|1,0,1]=4 6783 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,1,0,0|1,0,1]=4 6784 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,1,0,0|1,0,1]=4 6785 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,1,0,0|1,0,1]=4 6786 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,1,0,1,0,0|1,1,0]=4 6787 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,1,0,1,0,0|1,1,0]=4 6788 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,1,0,1,0,0|1,1,0]=4 6789 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,1,0,1,0,0|1,1,0]=4 6790 B10R1.21 CCCNCc1cnc[nH]1 207a_100020643023_100000742939 [0,1,0,1,0,0|2,0,0]=4 6791 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,1,0,1,0,0|1,0,1]=4 6792 B10R1.21 CCCNCc1cncs1 207a_100020643023_100000749870 [0,1,0,1,0,0|1,1,0]=4 6793 B10R1.21 CCCNCc1cncs1 2230a_100016987365_100000210303 [0,1,0,1,0,0|1,1,0]=4 6794 B10R1.21 CCCNCc1cncs1 270004a_100020643023_100000749870 [0,1,0,1,0,0|1,1,0]=4 6795 B10R1.21 CCCNCc1cocn1 270004a_100020643023_100000050382 [0,1,0,1,0,0|2,0,0]=4 6796 B10R1.21 CCCNCc1cscn1 207a_100020643023_100000743575 [0,1,0,1,0,0|2,0,0]=4 6797 B10R1.21 CCCNCc1cscn1 2230a_100015185402_100000210303 [0,1,0,1,0,0|2,0,0]=4 6798 B10R1.21 CCCNCc1cscn1 270004a_100020643023_100000743575 [0,1,0,1,0,0|2,0,0]=4 6799 B10R1.21 CCCNCc1ncc[nH]1 207a_100020643023_100000743867 [0,1,0,1,0,0|2,0,0]=4 6800 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,1,0,1,0,0|1,0,1]=4 6801 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,1,0,1,0,0|1,0,1]=4 6802 B10R1.21 CCCNCc1nccs1 207a_100020643023_100000750902 [0,1,0,1,0,0|1,1,0]=4 6803 B10R1.21 CCCNCc1nccs1 2230a_100000740555_100000210303 [0,1,0,1,0,0|1,1,0]=4 6804 B10R1.21 CCCNCc1nccs1 270004a_100020643023_100000750902 [0,1,0,1,0,0|1,1,0]=4 6805 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [0,1,0,1,0,0|2,0,0]=4 6806 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,1,0,0|1,0,1]=4 6807 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,1,0,1,0,0|1,1,0]=4 6808 B10R1.21 CCCOCc1ccn[nH]1 34a_100000210258_100000728653 [0,1,0,1,0,0|2,0,0]=4 6809 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,1,0,1,0,0|1,0,1]=4 6810 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,1,0,0|1,0,1]=4 6811 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,1,0,1,0,0|1,0,1]=4 6812 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,1,0,1,0,0|1,1,0]=4 6813 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,1,0,1,0,0|1,1,0]=4 6814 B10R1.21 CCCOCc1cncs1 34a_100000210258_100015185245 [0,1,0,1,0,0|1,1,0]=4 6815 B10R1.21 CCCOCc1cscn1 34a_100000210258_100000205941 [0,1,0,1,0,0|2,0,0]=4 6816 B10R1.21 CCCOCc1ncc[nH]1 34a_100000210258_100016991755 [0,1,0,1,0,0|2,0,0]=4 6817 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,1,0,1,0,0|1,0,1]=4 6818 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,1,0,1,0,0|1,0,1]=4 6819 B10R1.21 CCCOCc1nccs1 34a_100000210258_100015184050 [0,1,0,1,0,0|1,1,0]=4 6820 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [0,1,0,1,0,0|2,0,0]=4 6821 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [0,1,0,1,0,0|2,0,0]=4 6822 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,1,0,1,0,0|2,0,0]=4 6823 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,1,0,1,0,0|2,0,0]=4 6824 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,1,0,1,0,0|1,0,1]=4 6825 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,1,0,1,0,0|1,0,1]=4 6826 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,1,0,1,0,0|1,1,0]=4 6827 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,1,0,1,0,0|1,1,0]=4 6828 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,1,0,1,0,0|1,1,0]=4 6829 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,1,0,1,0,0|1,1,0]=4 6830 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [0,1,0,1,0,0|2,0,0]=4 6831 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [0,1,0,1,0,0|2,0,0]=4 6832 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [0,1,0,1,0,0|2,0,0]=4 6833 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [0,1,0,1,0,0|2,0,0]=4 6834 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,1,0,1,0,0|1,0,1]=4 6835 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,1,0,1,0,0|1,0,1]=4 6836 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,1,0,1,0,0|1,1,0]=4 6837 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,1,0,1,0,0|1,1,0]=4 6838 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,1,0,1,0,0|2,0,0]=4 6839 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,1,0,0|1,0,1]=4 6840 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,1,0,0|1,0,1]=4 6841 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,1,0,1,0,0|1,1,0]=4 6842 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,1,0,1,0,0|1,1,0]=4 6843 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,1,0,1,0,0|1,1,0]=4 6844 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,1,0,1,0,0|1,1,0]=4 6845 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,1,0,1,0,0|1,1,0]=4 6846 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,1,0,1,0,0|1,1,0]=4 6847 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [0,1,0,1,0,0|1,1,0]=4 6848 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,1,0,1,0,0|1,1,0]=4 6849 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,1,0,1,0,0|1,1,0]=4 6850 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,1,0,1,0,0|1,1,0]=4 6851 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,1,0,1,0,0|1,1,0]=4 6852 B10R1.21 CCOCCc1ncc[nH]1 34a_103549771195_100000210202 [0,1,0,1,0,0|2,0,0]=4 6853 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [0,1,0,1,0,0|2,0,0]=4 6854 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [0,1,0,1,0,0|2,0,0]=4 6855 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,1,0,1,0,0|1,1,0]=4 6856 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,1,0,1,0,0|1,1,0]=4 6857 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,1,0,1,0,0|1,1,0]=4 6858 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,1,0,1,0,0|1,1,0]=4 6859 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,1,0,1,0,0|1,1,0]=4 6860 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,1,0,1,0,0|1,1,0]=4 6861 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,1,0,1,0,0|1,1,0]=4 6862 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,1,0,1,0,0|1,1,0]=4 6863 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,1,0,1,0,0|1,1,0]=4 6864 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,1,0,1,0,0|1,1,0]=4 6865 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,1,0,1,0,0|1,1,0]=4 6866 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,1,0,1,0,0|1,1,0]=4 6867 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,1,0,1,0,0|1,1,0]=4 6868 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,1,0,1,0,0|1,1,0]=4 6869 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,1,0,1,0,0|1,1,0]=4 6870 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,1,0,1,0,0|1,1,0]=4 6871 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,1,0,1,0,0|1,1,0]=4 6872 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,1,0,1,0,0|1,1,0]=4 6873 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,1,0,1,0,0|2,0,0]=4 6874 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,1,0,1,0,0|2,0,0]=4 6875 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,1,0,1,0,0|2,0,0]=4 6876 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,1,0,1,0,0|2,0,0]=4 6877 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,1,0,1,0,0|2,0,0]=4 6878 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,1,0,1,0,0|2,0,0]=4 6879 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,1,0,1,0,0|2,0,0]=4 6880 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,1,0,1,0,0|2,0,0]=4 6881 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,1,0,1,0,0|2,0,0]=4 6882 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,1,0,1,0,0|2,0,0]=4 6883 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 6884 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 6885 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 6886 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 6887 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 6888 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 6889 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,1,0,0|1,0,1]=4 6890 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,1,0,0|0,0,2]=4 6891 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [0,1,0,1,0,0|1,0,1]=4 6892 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,1,0,1,0,0|1,0,1]=4 6893 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,1,0,1,0,0|1,0,1]=4 6894 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,1,0,0|1,0,1]=4 6895 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [0,1,0,1,0,0|1,0,1]=4 6896 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,1,0,1,0,0|2,0,0]=4 6897 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,1,0,1,0,0|2,0,0]=4 6898 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,1,0,1,0,0|2,0,0]=4 6899 B10R1.130 CCNC1CC(=O)NC1=O 2230a_100102712934_100000210202 [0,1,0,1,0,0|2,0,0]=4 6900 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [0,1,0,1,0,0|0,0,2]=4 6901 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,1,0,1,0,0|0,0,0]=2 6902 B10R1.135 C=CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210623 [0,1,0,1,0,0|1,0,1]=4 6903 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [0,1,0,1,0,0|0,0,2]=4 6904 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|0,0,2]=4 6905 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|0,0,2]=4 6906 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,1,0,1,0,0|1,0,1]=4 6907 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|0,0,2]=4 6908 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|0,0,2]=4 6909 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|0,0,2]=4 6910 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|0,0,2]=4 6911 B10R1.136 C=CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210193 [0,1,0,1,0,0|2,0,0]=4 6912 B10R1.136 C=CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210193 [0,1,0,1,0,0|2,0,0]=4 6913 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210193 [0,1,0,1,0,0|2,0,0]=4 6914 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210193 [0,1,0,1,0,0|2,0,0]=4 6915 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210193 [0,1,0,1,0,0|2,0,0]=4 6916 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210193 [0,1,0,1,0,0|2,0,0]=4 6917 B10R1.136 CC=CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210699 [0,1,0,1,0,0|2,0,0]=4 6918 B10R1.136 CC=CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210699 [0,1,0,1,0,0|2,0,0]=4 6919 B10R1.136 CC=CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210699 [0,1,0,1,0,0|2,0,0]=4 6920 B10R1.136 CC=CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210699 [0,1,0,1,0,0|2,0,0]=4 6921 B10R1.136 O=C(C=CBr)N[C@@H]1C[C@@H]1F 240690a_100015190264_100016273825 [0,1,0,1,0,0|2,0,0]=4 6922 B10R1.136 O=C(C=CBr)N[C@@H]1C[C@H]1F 1626a_100025746932_100016273825 [0,1,0,1,0,0|2,0,0]=4 6923 B10R1.136 O=C(C=CBr)N[C@@H]1C[C@H]1F 240690a_100025746932_100016273825 [0,1,0,1,0,0|2,0,0]=4 6924 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@@H]1F 240690a_100015190264_200016279998 [0,1,0,1,0,0|2,0,0]=4 6925 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@H]1F 11a_100025746932_200016279998 [0,1,0,1,0,0|2,0,0]=4 6926 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@H]1F 1626a_100025746932_200016279998 [0,1,0,1,0,0|2,0,0]=4 6927 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@H]1F 240690a_100025746932_200016279998 [0,1,0,1,0,0|2,0,0]=4 6928 B10R1.136 O=C(C=CI)N[C@@H]1C[C@H]1F 1626a_100025746932_100016256311 [0,1,0,1,0,0|2,0,0]=4 6929 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [0,1,0,1,0,0|0,0,2]=4 6930 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [0,1,0,1,0,0|0,0,2]=4 6931 B10R1.137 C=CCC(=O)C=C1CCC1 1458a_100000686340_100000210623 [0,1,0,1,0,0|0,0,2]=4 6932 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,1,0,1,0,0|0,0,0]=2 6933 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,1,0,1,0,0|0,0,0]=2 6934 B10R1.137 C=CCC(=O)CC1CCO1 1458a_100000210193_100000103362 [0,1,0,1,0,0|1,0,0]=3 6935 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000210193_100010264016 [0,1,0,1,0,0|1,0,0]=3 6936 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000687760_100000210623 [0,1,0,1,0,0|1,0,0]=3 6937 B10R1.137 C=CCC(=O)NC1CCC1 11a_100000749019_100000210193 [0,1,0,1,0,0|1,0,0]=3 6938 B10R1.137 C=CCC(=O)NC1CCC1 1626a_100000749019_100000210193 [0,1,0,1,0,0|1,0,0]=3 6939 B10R1.137 C=CCC(=O)NC1CCC1 240690a_100000749019_100000210193 [0,1,0,1,0,0|1,0,0]=3 6940 B10R1.137 C=CCC(=O)NC1CCC1 527a_100000749019_100000210193 [0,1,0,1,0,0|1,0,0]=3 6941 B10R1.137 C=CCC(=O)NC1COC1 11a_100016991112_100000210193 [0,1,0,1,0,0|2,0,0]=4 6942 B10R1.137 C=CCC(=O)NC1COC1 1626a_100016991112_100000210193 [0,1,0,1,0,0|2,0,0]=4 6943 B10R1.137 C=CCC(=O)NC1COC1 240690a_100016991112_100000210193 [0,1,0,1,0,0|2,0,0]=4 6944 B10R1.137 C=CCC(=O)NC1COC1 527a_100016991112_100000210193 [0,1,0,1,0,0|2,0,0]=4 6945 B10R1.137 C=CCC(=O)NC1CSC1 11a_100016994217_100000210193 [0,1,0,1,0,0|2,0,0]=4 6946 B10R1.137 C=CCC(=O)NC1CSC1 1626a_100016994217_100000210193 [0,1,0,1,0,0|2,0,0]=4 6947 B10R1.137 C=CCC(=O)NC1CSC1 240690a_100016994217_100000210193 [0,1,0,1,0,0|2,0,0]=4 6948 B10R1.137 C=CCC(=O)NC1CSC1 527a_100016994217_100000210193 [0,1,0,1,0,0|2,0,0]=4 6949 B10R1.137 C=CCN(C)CC1CCC1 2230a_100000225617_100000763275 [0,1,0,1,0,0|2,0,0]=4 6950 B10R1.137 C=CCN(C)CC1CCC1 2230a_200000750244_100000210623 [0,1,0,1,0,0|2,0,0]=4 6951 B10R1.137 C=CCN(C)CC1CCC1 269982a_100000225617_100000763275 [0,1,0,1,0,0|2,0,0]=4 6952 B10R1.137 C=CCN(C)CC1CCC1 269982a_200000750244_100000210623 [0,1,0,1,0,0|2,0,0]=4 6953 B10R1.137 C=CCN(C)CC1CCC1 34a_200000750244_100015514636 [0,1,0,1,0,0|2,0,0]=4 6954 B10R1.137 C=COC(=O)CN1CCC1 269982a_100000754969_100000036128 [0,1,0,1,0,0|1,0,0]=3 6955 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,1,0,1,0,0|0,0,2]=4 6956 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|0,0,0]=2 6957 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,1,0,1,0,0|1,0,0]=3 6958 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,1,0,1,0,0|1,0,0]=3 6959 B10R1.137 CC=CC(=O)NC1CCC1 11a_100000749019_100000210699 [0,1,0,1,0,0|1,0,0]=3 6960 B10R1.137 CC=CC(=O)NC1CCC1 1626a_100000749019_100000210699 [0,1,0,1,0,0|1,0,0]=3 6961 B10R1.137 CC=CC(=O)NC1CCC1 240690a_100000749019_100000210699 [0,1,0,1,0,0|1,0,0]=3 6962 B10R1.137 CC=CC(=O)NC1COC1 11a_100016991112_100000210699 [0,1,0,1,0,0|2,0,0]=4 6963 B10R1.137 CC=CC(=O)NC1COC1 1626a_100016991112_100000210699 [0,1,0,1,0,0|2,0,0]=4 6964 B10R1.137 CC=CC(=O)NC1COC1 240690a_100016991112_100000210699 [0,1,0,1,0,0|2,0,0]=4 6965 B10R1.137 CC=CC(=O)NC1CSC1 11a_100016994217_100000210699 [0,1,0,1,0,0|2,0,0]=4 6966 B10R1.137 CC=CC(=O)NC1CSC1 1626a_100016994217_100000210699 [0,1,0,1,0,0|2,0,0]=4 6967 B10R1.137 CC=CC(=O)NC1CSC1 240690a_100016994217_100000210699 [0,1,0,1,0,0|2,0,0]=4 6968 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|0,0,2]=4 6969 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|0,0,2]=4 6970 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|0,0,2]=4 6971 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|0,0,2]=4 6972 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|0,0,2]=4 6973 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,1,0,1,0,0|1,0,1]=4 6974 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|0,0,2]=4 6975 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|0,0,2]=4 6976 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [0,1,0,1,0,0|0,0,2]=4 6977 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [0,1,0,1,0,0|0,0,2]=4 6978 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,1,0,1,0,0|0,0,0]=2 6979 B10R1.137 O=C(C=CBr)CC1CCO1 1458a_100016273825_100000103362 [0,1,0,1,0,0|1,0,0]=3 6980 B10R1.137 O=C(C=CBr)CC1COC1 1458a_100016273825_100010264016 [0,1,0,1,0,0|1,0,0]=3 6981 B10R1.137 O=C(C=CBr)NC1CCC1 1626a_100000749019_100016273825 [0,1,0,1,0,0|1,0,0]=3 6982 B10R1.137 O=C(C=CBr)NC1CCC1 240690a_100000749019_100016273825 [0,1,0,1,0,0|1,0,0]=3 6983 B10R1.137 O=C(C=CBr)NC1COC1 1626a_100016991112_100016273825 [0,1,0,1,0,0|2,0,0]=4 6984 B10R1.137 O=C(C=CBr)NC1COC1 240690a_100016991112_100016273825 [0,1,0,1,0,0|2,0,0]=4 6985 B10R1.137 O=C(C=CBr)NC1CSC1 1626a_100016994217_100016273825 [0,1,0,1,0,0|2,0,0]=4 6986 B10R1.137 O=C(C=CBr)NC1CSC1 240690a_100016994217_100016273825 [0,1,0,1,0,0|2,0,0]=4 6987 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,1,0,1,0,0|0,0,0]=2 6988 B10R1.137 O=C(C=CCl)CC1CCO1 1458a_200016279998_100000103362 [0,1,0,1,0,0|1,0,0]=3 6989 B10R1.137 O=C(C=CCl)CC1COC1 1458a_200016279998_100010264016 [0,1,0,1,0,0|1,0,0]=3 6990 B10R1.137 O=C(C=CCl)NC1CCC1 11a_100000749019_200016279998 [0,1,0,1,0,0|1,0,0]=3 6991 B10R1.137 O=C(C=CCl)NC1CCC1 1626a_100000749019_200016279998 [0,1,0,1,0,0|1,0,0]=3 6992 B10R1.137 O=C(C=CCl)NC1CCC1 240690a_100000749019_200016279998 [0,1,0,1,0,0|1,0,0]=3 6993 B10R1.137 O=C(C=CCl)NC1COC1 11a_100016991112_200016279998 [0,1,0,1,0,0|2,0,0]=4 6994 B10R1.137 O=C(C=CCl)NC1COC1 1626a_100016991112_200016279998 [0,1,0,1,0,0|2,0,0]=4 6995 B10R1.137 O=C(C=CCl)NC1COC1 240690a_100016991112_200016279998 [0,1,0,1,0,0|2,0,0]=4 6996 B10R1.137 O=C(C=CCl)NC1CSC1 11a_100016994217_200016279998 [0,1,0,1,0,0|2,0,0]=4 6997 B10R1.137 O=C(C=CCl)NC1CSC1 1626a_100016994217_200016279998 [0,1,0,1,0,0|2,0,0]=4 6998 B10R1.137 O=C(C=CCl)NC1CSC1 240690a_100016994217_200016279998 [0,1,0,1,0,0|2,0,0]=4 6999 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,1,0,1,0,0|0,0,0]=2 7000 B10R1.137 O=C(C=CI)CC1CCO1 1458a_100016256311_100000103362 [0,1,0,1,0,0|1,0,0]=3 7001 B10R1.137 O=C(C=CI)CC1COC1 1458a_100016256311_100010264016 [0,1,0,1,0,0|1,0,0]=3 7002 B10R1.137 O=C(C=CI)NC1CCC1 1626a_100000749019_100016256311 [0,1,0,1,0,0|1,0,0]=3 7003 B10R1.137 O=C(C=CI)NC1COC1 1626a_100016991112_100016256311 [0,1,0,1,0,0|2,0,0]=4 7004 B10R1.137 O=C(C=CI)NC1CSC1 1626a_100016994217_100016256311 [0,1,0,1,0,0|2,0,0]=4 7005 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|0,0,2]=4 7006 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|0,0,2]=4 7007 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|0,0,2]=4 7008 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [0,1,0,1,0,0|0,0,2]=4 7009 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [0,1,0,1,0,0|0,0,2]=4 7010 B10R1.138 C=CCC(=O)C=CC1CC1 1458a_100102529529_100000210623 [0,1,0,1,0,0|0,0,2]=4 7011 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,1,0,1,0,0|0,0,0]=2 7012 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,1,0,1,0,0|0,0,0]=2 7013 B10R1.138 C=CCC(=O)CCC1CO1 1458a_100000210193_100000732470 [0,1,0,1,0,0|1,0,0]=3 7014 B10R1.138 C=CCC(=O)NCC1CC1 11a_100000735609_100000210193 [0,1,0,1,0,0|1,0,0]=3 7015 B10R1.138 C=CCC(=O)NCC1CC1 1626a_100000735609_100000210193 [0,1,0,1,0,0|1,0,0]=3 7016 B10R1.138 C=CCC(=O)NCC1CC1 240690a_100000735609_100000210193 [0,1,0,1,0,0|1,0,0]=3 7017 B10R1.138 C=CCC(=O)NCC1CC1 527a_100000735609_100000210193 [0,1,0,1,0,0|1,0,0]=3 7018 B10R1.138 C=CCC(=O)NNC1CC1 22a_100000701032_100000210193 [0,1,0,1,0,0|2,0,0]=4 7019 B10R1.138 C=CCN(C)CCC1CC1 2230a_100000225617_100000694398 [0,1,0,1,0,0|2,0,0]=4 7020 B10R1.138 C=CCN(C)CCC1CC1 269982a_100000225617_100000694398 [0,1,0,1,0,0|2,0,0]=4 7021 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,1,0,1,0,0|1,0,0]=3 7022 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,1,0,1,0,0|1,0,0]=3 7023 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,1,0,1,0,0|0,0,2]=4 7024 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,1,0,1,0,0|0,0,0]=2 7025 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,1,0,1,0,0|1,0,0]=3 7026 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [0,1,0,1,0,0|1,0,0]=3 7027 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [0,1,0,1,0,0|1,0,0]=3 7028 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [0,1,0,1,0,0|1,0,0]=3 7029 B10R1.138 CC=CC(=O)NNC1CC1 22a_100000701032_100000210699 [0,1,0,1,0,0|2,0,0]=4 7030 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|0,0,2]=4 7031 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|0,0,2]=4 7032 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|0,0,2]=4 7033 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|0,0,2]=4 7034 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|0,0,2]=4 7035 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,1,0,1,0,0|1,0,1]=4 7036 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|0,0,2]=4 7037 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,1,0,1,0,0|0,0,2]=4 7038 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [0,1,0,1,0,0|0,0,2]=4 7039 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [0,1,0,1,0,0|0,0,2]=4 7040 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,1,0,1,0,0|0,0,0]=2 7041 B10R1.138 O=C(C=CBr)CCC1CO1 1458a_100016273825_100000732470 [0,1,0,1,0,0|1,0,0]=3 7042 B10R1.138 O=C(C=CBr)NCC1CC1 1626a_100000735609_100016273825 [0,1,0,1,0,0|1,0,0]=3 7043 B10R1.138 O=C(C=CBr)NCC1CC1 240690a_100000735609_100016273825 [0,1,0,1,0,0|1,0,0]=3 7044 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,1,0,1,0,0|0,0,0]=2 7045 B10R1.138 O=C(C=CCl)CCC1CO1 1458a_200016279998_100000732470 [0,1,0,1,0,0|1,0,0]=3 7046 B10R1.138 O=C(C=CCl)NCC1CC1 11a_100000735609_200016279998 [0,1,0,1,0,0|1,0,0]=3 7047 B10R1.138 O=C(C=CCl)NCC1CC1 1626a_100000735609_200016279998 [0,1,0,1,0,0|1,0,0]=3 7048 B10R1.138 O=C(C=CCl)NCC1CC1 240690a_100000735609_200016279998 [0,1,0,1,0,0|1,0,0]=3 7049 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,1,0,1,0,0|0,0,0]=2 7050 B10R1.138 O=C(C=CI)CCC1CO1 1458a_100016256311_100000732470 [0,1,0,1,0,0|1,0,0]=3 7051 B10R1.138 O=C(C=CI)NCC1CC1 1626a_100000735609_100016256311 [0,1,0,1,0,0|1,0,0]=3 7052 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|0,0,2]=4 7053 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|0,0,2]=4 7054 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|0,0,2]=4 7055 B10R1.139 C=CCC(=O)C1CCC1=O 1458a_100000210193_100009892977 [0,1,0,1,0,0|1,0,1]=4 7056 B10R1.139 C=CCC(=O)N1CCC1C 11a_100000755817_100000210193 [0,1,0,1,0,0|1,0,0]=3 7057 B10R1.139 C=CCC(=O)N1CCC1C 240690a_100000755817_100000210193 [0,1,0,1,0,0|1,0,0]=3 7058 B10R1.139 C=CCC(=O)N1CCC1C 527a_100000755817_100000210193 [0,1,0,1,0,0|1,0,0]=3 7059 B10R1.139 CC1CCN1C(=O)C=CBr 240690a_100000755817_100016273825 [0,1,0,1,0,0|1,0,0]=3 7060 B10R1.139 CC1CCN1C(=O)C=CCl 11a_100000755817_200016279998 [0,1,0,1,0,0|1,0,0]=3 7061 B10R1.139 CC1CCN1C(=O)C=CCl 240690a_100000755817_200016279998 [0,1,0,1,0,0|1,0,0]=3 7062 B10R1.139 CC=CC(=O)C1CCC1=O 1458a_100000210699_100009892977 [0,1,0,1,0,0|1,0,1]=4 7063 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,1,0,1,0,0|1,0,0]=3 7064 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,1,0,1,0,0|1,0,0]=3 7065 B10R1.139 O=C(C=CBr)C1CCC1=O 1458a_100016273825_100009892977 [0,1,0,1,0,0|1,0,1]=4 7066 B10R1.139 O=C(C=CCl)C1CCC1=O 1458a_200016279998_100009892977 [0,1,0,1,0,0|1,0,1]=4 7067 B10R1.139 O=C(C=CI)C1CCC1=O 1458a_100016256311_100009892977 [0,1,0,1,0,0|1,0,1]=4 7068 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|0,0,2]=4 7069 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,2]=4 7070 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|0,0,2]=4 7071 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,1,0,0|0,0,2]=4 7072 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,1,0,0|0,0,2]=4 7073 B10R1.15 C=CC(=O)C1C=CCCC1 1458a_100000185746_100000751183 [0,1,0,1,0,0|0,0,1]=3 7074 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|0,0,0]=2 7075 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|0,0,0]=2 7076 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,1,0,0|0,0,0]=2 7077 B10R1.15 C=CC(=O)N1CC=CCC1 1626a_100000698166_100000185746 [0,1,0,1,0,0|0,0,2]=4 7078 B10R1.15 C=CC(=O)N1CC=CCC1 240690a_100000698166_200121576911 [0,1,0,1,0,0|0,0,2]=4 7079 B10R1.15 C=CC(=O)N1CCCOC1 240690a_100000131196_200121576911 [0,1,0,1,0,0|1,0,0]=3 7080 B10R1.15 C=CC(=O)N1CCOCC1 1626a_100015191051_100000185746 [0,1,0,1,0,0|1,0,0]=3 7081 B10R1.15 C=CC(=O)N1CCOCC1 240690a_100015191051_200121576911 [0,1,0,1,0,0|1,0,0]=3 7082 B10R1.15 C=CC(=O)N1CCSCC1 240690a_100000737611_200121576911 [0,1,0,1,0,0|1,0,0]=3 7083 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|0,0,2]=4 7084 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|0,0,2]=4 7085 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|0,0,2]=4 7086 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|0,0,2]=4 7087 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|0,0,2]=4 7088 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|0,0,2]=4 7089 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|0,0,2]=4 7090 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|0,0,2]=4 7091 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|1,0,1]=4 7092 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|1,0,1]=4 7093 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|1,0,1]=4 7094 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|1,0,1]=4 7095 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|1,0,1]=4 7096 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 7097 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 7098 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 7099 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|1,0,1]=4 7100 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|1,0,1]=4 7101 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|1,0,1]=4 7102 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|1,0,1]=4 7103 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,1,0,0|1,0,1]=4 7104 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,1,0,0|1,0,1]=4 7105 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,1,0,0|1,0,1]=4 7106 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,1,0,0|1,0,1]=4 7107 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,1,0,0|1,0,1]=4 7108 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,1,0,0|1,0,1]=4 7109 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,1,0,0|1,0,1]=4 7110 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,1,0,0|1,0,1]=4 7111 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|1,0,1]=4 7112 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|1,0,1]=4 7113 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|1,0,1]=4 7114 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,1,0,0|1,0,1]=4 7115 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,1,0,0|1,0,1]=4 7116 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|1,0,1]=4 7117 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,1]=4 7118 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|1,0,1]=4 7119 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|1,0,1]=4 7120 B10R1.169 C=CC(=O)N1CC(C1)CC 1626a_100015205115_100000185746 [0,1,0,1,0,0|1,0,0]=3 7121 B10R1.169 C=CC(=O)N1CC(C1)CC 240690a_100015205115_200121576911 [0,1,0,1,0,0|1,0,0]=3 7122 B10R1.169 C=CC(=O)N1CC(C1)CF 240690a_100010363649_200121576911 [0,1,0,1,0,0|2,0,0]=4 7123 B10R1.169 C=CC(=O)N1CC(C1)CO 240690a_100016987283_200121576911 [0,1,0,1,0,0|2,0,0]=4 7124 B10R1.169 C=CC(=O)N1CC(C1)OC 1626a_100000755009_100000185746 [0,1,0,1,0,0|2,0,0]=4 7125 B10R1.169 C=CC(=O)N1CC(C1)OC 240690a_100000755009_200121576911 [0,1,0,1,0,0|2,0,0]=4 7126 B10R1.169 C=CC(=O)N1CC(C1)SC 1626a_100016990038_100000185746 [0,1,0,1,0,0|2,0,0]=4 7127 B10R1.169 C=CC(=O)N1CC(C1)SC 240690a_100016990038_200121576911 [0,1,0,1,0,0|2,0,0]=4 7128 B10R1.182 C=CC(=O)N(C)C1CCC1 1626a_100000758072_100000185746 [0,1,0,1,0,0|1,0,0]=3 7129 B10R1.182 C=CC(=O)N(C)C1CCC1 240690a_100000758072_200121576911 [0,1,0,1,0,0|1,0,0]=3 7130 B10R1.182 C=CC(=O)N(C)C1COC1 1626a_100102693430_100000185746 [0,1,0,1,0,0|2,0,0]=4 7131 B10R1.182 C=CC(=O)N(C)C1COC1 240690a_100102693430_200121576911 [0,1,0,1,0,0|2,0,0]=4 7132 B10R1.184 C=CC(=O)N(C)CC1CC1 1626a_100000741881_100000185746 [0,1,0,1,0,0|1,0,0]=3 7133 B10R1.184 C=CC(=O)N(C)CC1CC1 240690a_100000741881_200121576911 [0,1,0,1,0,0|1,0,0]=3 7134 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,1,0,0|1,0,1]=4 7135 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|0,0,2]=4 7136 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|0,0,2]=4 7137 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,1,0,0|1,0,1]=4 7138 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,1,0,0|1,0,1]=4 7139 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,1,0,0|1,0,1]=4 7140 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,1,0,0|1,0,1]=4 7141 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,1,0,0|1,0,1]=4 7142 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,1,0,0|1,0,1]=4 7143 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,1,0,0|1,0,1]=4 7144 B10R1.95 CCNC1C=CS(=O)(=O)C1 2230a_100000687631_100000210202 [0,1,0,1,0,0|2,0,0]=4 7145 B10R1.95 CCNC1C=CS(=O)(=O)C1 2230a_100015525214_100000702656 [0,1,0,1,0,0|2,0,0]=4 7146 B10R1.95 CCNC1C=CS(=O)(=O)C1 34a_100000687631_100000210202 [0,1,0,1,0,0|2,0,0]=4 7147 B10R1.95 CCOC1C=CS(=O)(=O)C1 34a_100000012158_100000210202 [0,1,0,1,0,0|2,0,0]=4 7148 B10R1.95 CCSC1C=CS(=O)(=O)C1 62a_100000210202_100000011004 [0,1,0,1,0,0|2,0,0]=4 7149 B10R1.95 CCSC1C=CS(=O)(=O)C1 62a_100000702656_100000210202 [0,1,0,1,0,0|2,0,0]=4 7150 B10R1.151 C=CC(=NNC1CCC1)C 4a_100000736358_200015361842 [0,1,0,1,0,0|2,0,0]=4 7151 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,1,0,1,0,0|0,0,0]=2 7152 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,1,0,1,0,0|0,0,0]=2 7153 B10R1.151 C=CC(=O)NCC1COC1 1626a_100015281925_100000185746 [0,1,0,1,0,0|1,0,0]=3 7154 B10R1.151 C=CC(=O)NCC1COC1 240690a_100015281925_200121576911 [0,1,0,1,0,0|1,0,0]=3 7155 B10R1.151 C=CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000185746 [0,1,0,1,0,0|1,0,0]=3 7156 B10R1.151 C=CC(=O)NC[C@@H]1CCO1 240690a_100020831831_200121576911 [0,1,0,1,0,0|1,0,0]=3 7157 B10R1.151 C=CC(=O)NNC1CCC1 22a_100000736358_100000185746 [0,1,0,1,0,0|1,0,0]=3 7158 B10R1.151 C=CC(=O)NNC1COC1 22a_100015188821_100000185746 [0,1,0,1,0,0|2,0,0]=4 7159 B10R1.151 C=CC(C)COC1CCC1 34a_100011215527_100000749161 [0,1,0,1,0,0|1,0,1]=4 7160 B10R1.151 C=CC(C)OCC1CCC1 34a_100000695699_100000763275 [0,1,0,1,0,0|1,0,1]=4 7161 B10R1.151 C=CC(C)SCC1CCC1 62a_100011215867_100000763275 [0,1,0,1,0,0|1,0,1]=4 7162 B10R1.151 C=CC(O)CNC1CCC1 2230a_100000749019_100000730141 [0,1,0,1,0,0|0,0,2]=4 7163 B10R1.151 C=CC(O)CNC1CCC1 34a_100000749019_100000730141 [0,1,0,1,0,0|0,0,2]=4 7164 B10R1.151 C=CC(O)COC1CCC1 34a_100000748187_100000730141 [0,1,0,1,0,0|0,0,2]=4 7165 B10R1.151 C=CC(O)CSC1CCC1 62a_100000730141_100000749161 [0,1,0,1,0,0|0,0,2]=4 7166 B10R1.151 C=C[C@H](N)COC1CCC1 34a_100016989147_100000749161 [0,1,0,1,0,0|1,0,1]=4 7167 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|0,0,2]=4 7168 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|0,0,2]=4 7169 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 7170 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 7171 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 7172 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 7173 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,1,0,1,0,0|1,0,1]=4 7174 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,1,0,0|1,0,1]=4 7175 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,1,0,0|1,0,1]=4 7176 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,1,0,0|1,0,1]=4 7177 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,1,0,0|1,0,1]=4 7178 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,1,0,0|1,0,1]=4 7179 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,1,0,0|1,0,1]=4 7180 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|1,0,1]=4 7181 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|1,0,1]=4 7182 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|1,0,1]=4 7183 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|1,0,1]=4 7184 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|1,0,1]=4 7185 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|1,0,1]=4 7186 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|1,0,1]=4 7187 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|1,0,1]=4 7188 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|1,0,1]=4 7189 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|1,0,1]=4 7190 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|1,0,1]=4 7191 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|1,0,1]=4 7192 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|1,0,1]=4 7193 B10R1.152 C=CC(=O)NCC1(CC1)C 1626a_100000766693_100000185746 [0,1,0,1,0,0|1,0,0]=3 7194 B10R1.152 C=CC(=O)NCC1(CC1)C 240690a_100000766693_200121576911 [0,1,0,1,0,0|1,0,0]=3 7195 B10R1.152 C=CC(=O)NCC1(CC1)O 240690a_100011936951_200121576911 [0,1,0,1,0,0|1,0,0]=3 7196 B10R1.412 C=CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_200121576911 [0,1,0,1,0,0|1,0,0]=3 7197 B10R1.463 C=CC(O)CN1CCC1C 34a_100000755817_100000730141 [0,1,0,1,0,0|0,0,2]=4 7198 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|0,0,2]=4 7199 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,1,0,1,0,0|1,0,1]=4 7200 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,1,0,1,0,0|1,0,1]=4 7201 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|1,0,1]=4 7202 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|1,0,1]=4 7203 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,1,0,0|0,0,2]=4 7204 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,1,0,0|0,0,2]=4 7205 B10R1.27 C#CC(=O)CC1CCOC1 1458a_100000211873_100000702531 [0,1,0,1,0,0|0,0,2]=4 7206 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|0,0,0]=2 7207 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|0,0,0]=2 7208 B10R1.27 C=CC(=O)CC1CCOC1 1458a_100000185746_100000702531 [0,1,0,1,0,0|0,0,0]=2 7209 B10R1.27 C=CC(=O)CC1OCCO1 1458a_100000185746_100000755774 [0,1,0,1,0,0|1,0,0]=3 7210 B10R1.27 C=CC(=O)NC1CC=CC1 1626a_100015188752_100000185746 [0,1,0,1,0,0|0,0,2]=4 7211 B10R1.27 C=CC(=O)NC1CC=CC1 240690a_100015188752_200121576911 [0,1,0,1,0,0|0,0,2]=4 7212 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,1,0,0|0,0,0]=2 7213 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,1,0,0|0,0,0]=2 7214 B10R1.27 C=CC(=O)N[C@@H]1CCOC1 240690a_200015188469_200121576911 [0,1,0,1,0,0|1,0,0]=3 7215 B10R1.27 C=CC(=O)N[C@H]1CCOC1 1626a_100015188467_100000185746 [0,1,0,1,0,0|1,0,0]=3 7216 B10R1.27 C=CC(=O)N[C@H]1CCOC1 240690a_100015188467_200121576911 [0,1,0,1,0,0|1,0,0]=3 7217 B10R1.27 C=CC(C)OC1CCCC1 34a_100000695699_100000179811 [0,1,0,1,0,0|1,0,1]=4 7218 B10R1.27 C=CC(C)SC1CCCC1 62a_100011215867_100000179811 [0,1,0,1,0,0|1,0,1]=4 7219 B10R1.27 C=CC(O)CN1CCCC1 2230a_100000188435_100000730141 [0,1,0,1,0,0|0,0,2]=4 7220 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|0,0,2]=4 7221 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|0,0,2]=4 7222 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|0,0,2]=4 7223 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|0,0,2]=4 7224 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|0,0,2]=4 7225 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|0,0,2]=4 7226 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|0,0,2]=4 7227 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 7228 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 7229 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 7230 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 7231 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|1,0,1]=4 7232 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|1,0,1]=4 7233 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|1,0,1]=4 7234 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|1,0,1]=4 7235 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,1,0,1,0,0|1,0,1]=4 7236 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,1,0,1,0,0|1,0,1]=4 7237 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,1,0,1,0,0|1,0,1]=4 7238 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,1,0,1,0,0|1,0,1]=4 7239 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,1,0,1,0,0|1,0,1]=4 7240 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,1,0,1,0,0|1,0,1]=4 7241 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,1,0,1,0,0|1,0,1]=4 7242 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,1,0,1,0,0|1,0,1]=4 7243 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|1,0,1]=4 7244 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|1,0,1]=4 7245 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|1,0,1]=4 7246 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|1,0,1]=4 7247 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|1,0,1]=4 7248 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|1,0,1]=4 7249 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|1,0,1]=4 7250 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|1,0,1]=4 7251 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|1,0,1]=4 7252 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,1,0,1,0,0|1,0,1]=4 7253 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,1,0,1,0,0|1,0,1]=4 7254 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|1,0,1]=4 7255 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,1]=4 7256 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|1,0,1]=4 7257 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|1,0,1]=4 7258 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|1,0,1]=4 7259 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,1,0,1,0,0|2,0,0]=4 7260 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,1,0,1,0,0|2,0,0]=4 7261 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,1,0,1,0,0|2,0,0]=4 7262 B10R1.134 C=CC(=O)CC(=O)C1CC1 1458a_100000185746_100000746382 [0,1,0,1,0,0|0,0,1]=3 7263 B10R1.134 C=CC(=O)NC(C)C1CC1 1626a_100000700016_100000185746 [0,1,0,1,0,0|1,0,0]=3 7264 B10R1.134 C=CC(=O)NC(C)C1CC1 240690a_100000700016_200121576911 [0,1,0,1,0,0|1,0,0]=3 7265 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [0,1,0,1,0,0|0,0,1]=3 7266 B10R1.149 C=CC(=O)C1CCOC1=O 1458a_100000185746_100000211211 [0,1,0,1,0,0|1,0,1]=4 7267 B10R1.149 C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200121576911 [0,1,0,1,0,0|0,0,0]=2 7268 B10R1.149 C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_200121576911 [0,1,0,1,0,0|0,0,0]=2 7269 B10R1.149 C=CC(=O)N1CCSC1C 1626a_200011216479_100000185746 [0,1,0,1,0,0|1,0,0]=3 7270 B10R1.149 C=CC(=O)N1CCSC1C 240690a_200011216479_200121576911 [0,1,0,1,0,0|1,0,0]=3 7271 B10R1.149 C=CC(C)N1CCC[C@@H]1C 269982a_100020605311_100011215867 [0,1,0,1,0,0|1,0,1]=4 7272 B10R1.149 C=CC(C)N1CCC[C@H]1C 269982a_100015189458_100011215867 [0,1,0,1,0,0|1,0,1]=4 7273 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|1,0,1]=4 7274 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|0,0,2]=4 7275 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|0,0,2]=4 7276 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|0,0,2]=4 7277 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|0,0,2]=4 7278 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|0,0,2]=4 7279 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|0,0,2]=4 7280 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|0,0,2]=4 7281 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,1,0,1,0,0|1,0,1]=4 7282 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|1,0,1]=4 7283 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|1,0,1]=4 7284 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|1,0,1]=4 7285 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|1,0,1]=4 7286 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|1,0,1]=4 7287 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|1,0,1]=4 7288 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|1,0,1]=4 7289 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|1,0,1]=4 7290 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,1,0,0|1,0,1]=4 7291 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,1,0,0|1,0,1]=4 7292 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,1,0,0|1,0,1]=4 7293 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,1,0,0|1,0,1]=4 7294 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,1,0,0|1,0,1]=4 7295 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,1,0,0|1,0,1]=4 7296 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,1,0,0|1,0,1]=4 7297 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,1,0,0|1,0,1]=4 7298 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,1,0,0|1,0,1]=4 7299 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|1,0,1]=4 7300 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|1,0,1]=4 7301 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|1,0,1]=4 7302 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|1,0,1]=4 7303 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|1,0,1]=4 7304 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|1,0,1]=4 7305 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|1,0,1]=4 7306 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|1,0,1]=4 7307 B10R1.429 C#CC(=O)CC1(CCC1)C 1458a_100000211873_100000726658 [0,1,0,1,0,0|0,0,2]=4 7308 B10R1.429 C=CC(=O)CC1(CCC1)C 1458a_100000185746_100000726658 [0,1,0,1,0,0|0,0,0]=2 7309 B10R1.429 C=CC(=O)CC1(COC1)C 1458a_100000185746_100000066812 [0,1,0,1,0,0|1,0,0]=3 7310 B10R1.429 C=CC(=O)NC1(CCC1)C 1626a_100000692455_100000185746 [0,1,0,1,0,0|1,0,0]=3 7311 B10R1.429 C=CC(=O)NC1(CCC1)C 240690a_100000692455_200121576911 [0,1,0,1,0,0|1,0,0]=3 7312 B10R1.429 C=CC(=O)NC1(COC1)C 1626a_100000732644_100000185746 [0,1,0,1,0,0|2,0,0]=4 7313 B10R1.429 CC1(CCC1)CC(=O)CO 1458a_100000210174_100000726658 [0,1,0,1,0,0|1,0,1]=4 7314 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [0,1,0,1,0,0|0,0,2]=4 7315 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,1,0,1,0,0|1,0,1]=4 7316 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,1,0,1,0,0|1,0,1]=4 7317 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,1,0,1,0,0|1,0,1]=4 7318 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,1,0,0|1,0,1]=4 7319 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,1,0,0|1,0,1]=4 7320 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|0,0,2]=4 7321 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|0,0,2]=4 7322 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,1,0,0|1,0,1]=4 7323 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|0,0,2]=4 7324 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|0,0,2]=4 7325 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|1,0,1]=4 7326 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,1,0,1,0,0|1,0,1]=4 7327 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,1,0,1,0,0|1,0,1]=4 7328 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|1,0,1]=4 7329 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|0,0,2]=4 7330 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|1,0,1]=4 7331 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|1,0,1]=4 7332 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|1,0,1]=4 7333 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|1,0,1]=4 7334 B10R1.16 CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210202 [0,1,0,1,0,0|1,0,1]=4 7335 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|0,0,2]=4 7336 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 7337 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 7338 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|0,0,2]=4 7339 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|0,0,2]=4 7340 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|0,0,2]=4 7341 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|0,0,2]=4 7342 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|0,0,2]=4 7343 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,2]=4 7344 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,2]=4 7345 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|1,0,1]=4 7346 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|1,0,1]=4 7347 B10R1.23 C=C(Br)C(=O)N1CCSC1 11a_100011215254_100009813364 [0,1,0,1,0,0|2,0,0]=4 7348 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|0,0,0]=2 7349 B10R1.23 C=C(C)C(=O)C1CCOC1 1458a_100000185857_100000690089 [0,1,0,1,0,0|1,0,0]=3 7350 B10R1.23 C=C(C)C(=O)N1CCSC1 11a_100011215254_100000185857 [0,1,0,1,0,0|2,0,0]=4 7351 B10R1.23 C=C(Cl)C(=O)N1CCSC1 11a_100011215254_100000039160 [0,1,0,1,0,0|2,0,0]=4 7352 B10R1.23 C=C(F)C(=O)N1CCSC1 11a_100011215254_100000036797 [0,1,0,1,0,0|2,0,0]=4 7353 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|0,0,2]=4 7354 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|0,0,2]=4 7355 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|0,0,2]=4 7356 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,1,0,1,0,0|1,0,1]=4 7357 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,1,0,1,0,0|1,0,1]=4 7358 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,1,0,1,0,0|1,0,1]=4 7359 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,1,0,1,0,0|1,0,1]=4 7360 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|0,0,2]=4 7361 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|0,0,2]=4 7362 B10R1.23 NC(=O)C(=O)N1CCCC1 240690a_100000188435_100011215815 [0,1,0,1,0,0|2,0,0]=4 7363 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,1,0,1,0,0|1,0,1]=4 7364 B10R1.116 C=C(Br)C(=O)N1CCC1C 11a_100000755817_100009813364 [0,1,0,1,0,0|1,0,0]=3 7365 B10R1.116 C=C(C)C(=O)C1CCC1=O 1458a_100000185857_100009892977 [0,1,0,1,0,0|1,0,1]=4 7366 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,1,0,1,0,0|1,0,0]=3 7367 B10R1.116 C=C(Cl)C(=O)N1CCC1C 11a_100000755817_100000039160 [0,1,0,1,0,0|1,0,0]=3 7368 B10R1.116 C=C(F)C(=O)N1CCC1C 11a_100000755817_100000036797 [0,1,0,1,0,0|1,0,0]=3 7369 B10R1.116 CC1CCN1C(=O)C(=O)N 240690a_100000755817_100011215815 [0,1,0,1,0,0|2,0,0]=4 7370 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|0,0,2]=4 7371 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,1,0,1,0,0|1,0,1]=4 7372 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,1,0,1,0,0|1,0,1]=4 7373 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,1,0,1,0,0|1,0,1]=4 7374 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,1,0,1,0,0|1,0,1]=4 7375 B10R1.190 C=C(Br)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100009813364 [0,1,0,1,0,0|2,0,0]=4 7376 B10R1.190 C=C(Br)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100009813364 [0,1,0,1,0,0|2,0,0]=4 7377 B10R1.190 C=C(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000185857 [0,1,0,1,0,0|2,0,0]=4 7378 B10R1.190 C=C(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000185857 [0,1,0,1,0,0|2,0,0]=4 7379 B10R1.190 C=C(Cl)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000039160 [0,1,0,1,0,0|2,0,0]=4 7380 B10R1.190 C=C(Cl)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000039160 [0,1,0,1,0,0|2,0,0]=4 7381 B10R1.190 C=C(F)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000036797 [0,1,0,1,0,0|2,0,0]=4 7382 B10R1.190 C=C(F)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000036797 [0,1,0,1,0,0|2,0,0]=4 7383 B10R1.204 C=C(Br)C(=O)NC1CCC1 11a_100000749019_100009813364 [0,1,0,1,0,0|1,0,0]=3 7384 B10R1.204 C=C(Br)C(=O)NC1CCC1 1626a_100000749019_100009813364 [0,1,0,1,0,0|1,0,0]=3 7385 B10R1.204 C=C(Br)C(=O)NC1COC1 11a_100016991112_100009813364 [0,1,0,1,0,0|2,0,0]=4 7386 B10R1.204 C=C(Br)C(=O)NC1COC1 1626a_100016991112_100009813364 [0,1,0,1,0,0|2,0,0]=4 7387 B10R1.204 C=C(Br)C(=O)NC1CSC1 11a_100016994217_100009813364 [0,1,0,1,0,0|2,0,0]=4 7388 B10R1.204 C=C(Br)C(=O)NC1CSC1 1626a_100016994217_100009813364 [0,1,0,1,0,0|2,0,0]=4 7389 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|0,0,0]=2 7390 B10R1.204 C=C(C)C(=O)CC1CCO1 1458a_100000185857_100000103362 [0,1,0,1,0,0|1,0,0]=3 7391 B10R1.204 C=C(C)C(=O)CC1COC1 1458a_100000185857_100010264016 [0,1,0,1,0,0|1,0,0]=3 7392 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,1,0,1,0,0|1,0,0]=3 7393 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,1,0,1,0,0|1,0,0]=3 7394 B10R1.204 C=C(C)C(=O)NC1COC1 11a_100016991112_100000185857 [0,1,0,1,0,0|2,0,0]=4 7395 B10R1.204 C=C(C)C(=O)NC1COC1 1626a_100016991112_100000185857 [0,1,0,1,0,0|2,0,0]=4 7396 B10R1.204 C=C(C)C(=O)NC1CSC1 11a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 7397 B10R1.204 C=C(C)C(=O)NC1CSC1 1626a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 7398 B10R1.204 C=C(Cl)C(=O)NC1CCC1 11a_100000749019_100000039160 [0,1,0,1,0,0|1,0,0]=3 7399 B10R1.204 C=C(Cl)C(=O)NC1CCC1 1626a_100000749019_100000039160 [0,1,0,1,0,0|1,0,0]=3 7400 B10R1.204 C=C(Cl)C(=O)NC1COC1 11a_100016991112_100000039160 [0,1,0,1,0,0|2,0,0]=4 7401 B10R1.204 C=C(Cl)C(=O)NC1COC1 1626a_100016991112_100000039160 [0,1,0,1,0,0|2,0,0]=4 7402 B10R1.204 C=C(Cl)C(=O)NC1CSC1 11a_100016994217_100000039160 [0,1,0,1,0,0|2,0,0]=4 7403 B10R1.204 C=C(Cl)C(=O)NC1CSC1 1626a_100016994217_100000039160 [0,1,0,1,0,0|2,0,0]=4 7404 B10R1.204 C=C(F)C(=O)NC1CCC1 11a_100000749019_100000036797 [0,1,0,1,0,0|1,0,0]=3 7405 B10R1.204 C=C(F)C(=O)NC1CCC1 1626a_100000749019_100000036797 [0,1,0,1,0,0|1,0,0]=3 7406 B10R1.204 C=C(F)C(=O)NC1COC1 11a_100016991112_100000036797 [0,1,0,1,0,0|2,0,0]=4 7407 B10R1.204 C=C(F)C(=O)NC1COC1 1626a_100016991112_100000036797 [0,1,0,1,0,0|2,0,0]=4 7408 B10R1.204 C=C(F)C(=O)NC1CSC1 11a_100016994217_100000036797 [0,1,0,1,0,0|2,0,0]=4 7409 B10R1.204 C=C(F)C(=O)NC1CSC1 1626a_100016994217_100000036797 [0,1,0,1,0,0|2,0,0]=4 7410 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|1,0,1]=4 7411 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|0,0,2]=4 7412 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|0,0,2]=4 7413 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|0,0,2]=4 7414 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,1,0,1,0,0|1,0,1]=4 7415 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,1,0,1,0,0|1,0,1]=4 7416 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,1,0,1,0,0|1,0,1]=4 7417 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,1,0,1,0,0|1,0,1]=4 7418 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|0,0,2]=4 7419 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|0,0,2]=4 7420 B10R1.204 NC(=O)C(=O)NC1CCC1 240690a_100000749019_100011215815 [0,1,0,1,0,0|2,0,0]=4 7421 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,1,0,1,0,0|1,0,1]=4 7422 B10R1.205 C=C(Br)C(=O)NCC1CC1 11a_100000735609_100009813364 [0,1,0,1,0,0|1,0,0]=3 7423 B10R1.205 C=C(Br)C(=O)NCC1CC1 1626a_100000735609_100009813364 [0,1,0,1,0,0|1,0,0]=3 7424 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|0,0,0]=2 7425 B10R1.205 C=C(C)C(=O)CCC1CO1 1458a_100000185857_100000732470 [0,1,0,1,0,0|1,0,0]=3 7426 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,1,0,1,0,0|1,0,0]=3 7427 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,1,0,1,0,0|1,0,0]=3 7428 B10R1.205 C=C(C)C(=O)NNC1CC1 22a_100000701032_100000185857 [0,1,0,1,0,0|2,0,0]=4 7429 B10R1.205 C=C(Cl)C(=O)NCC1CC1 11a_100000735609_100000039160 [0,1,0,1,0,0|1,0,0]=3 7430 B10R1.205 C=C(Cl)C(=O)NCC1CC1 1626a_100000735609_100000039160 [0,1,0,1,0,0|1,0,0]=3 7431 B10R1.205 C=C(Cl)C(=O)NNC1CC1 22a_100000701032_100000039160 [0,1,0,1,0,0|2,0,0]=4 7432 B10R1.205 C=C(F)C(=O)NCC1CC1 11a_100000735609_100000036797 [0,1,0,1,0,0|1,0,0]=3 7433 B10R1.205 C=C(F)C(=O)NCC1CC1 1626a_100000735609_100000036797 [0,1,0,1,0,0|1,0,0]=3 7434 B10R1.205 C=C(F)C(=O)NNC1CC1 22a_100000701032_100000036797 [0,1,0,1,0,0|2,0,0]=4 7435 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|1,0,1]=4 7436 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|1,0,1]=4 7437 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|0,0,2]=4 7438 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|0,0,2]=4 7439 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|0,0,2]=4 7440 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,1,0,1,0,0|1,0,1]=4 7441 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,1,0,1,0,0|1,0,1]=4 7442 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,1,0,1,0,0|1,0,1]=4 7443 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,1,0,1,0,0|1,0,1]=4 7444 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|0,0,2]=4 7445 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|0,0,2]=4 7446 B10R1.205 NC(=O)C(=O)NCC1CC1 240690a_100000735609_100011215815 [0,1,0,1,0,0|2,0,0]=4 7447 B10R1.205 O=C(CCC1CC1)C(O)O 1458a_100000233687_100000694398 [0,1,0,1,0,0|1,0,1]=4 7448 B10R1.487 C=CC1(CCCCC1)OC 34a_200011934219_200000210301 [0,1,0,1,0,0|0,0,2]=4 7449 B10R1.487 C=CC1(CCCCC1)OC 7a_200011934219_200000210301 [0,1,0,1,0,0|0,0,2]=4 7450 B10R1.487 C=CC1(CCCCC1)O[13CH3] 34a_200011934219_200025704644 [0,1,0,1,0,0|0,0,2]=4 7451 B10R1.487 C=CC1(CCCCC1)O[13CH3] 7a_200011934219_200025704644 [0,1,0,1,0,0|0,0,2]=4