0 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_100011220946_100000730704 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_200000688413_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.48 C#CCC(=O)CCC(=O)N 1458a_100011215257_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.48 C#CCC(=O)CNC(=O)C 1458a_100000194580_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.48 C#CCC(=O)CSC(=O)C 1458a_100000049016_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_100051588842_100000730704 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_200000688413_100011214920 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,0,0|3,0,0]=3 32 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,0,0|3,0,0]=3 34 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,0,0,0,0,0|3,0,0]=3 47 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,0,0,0,0,0|3,0,0]=3 49 B9R0.48 C=C(C)CNC(=O)NNC 273464a_100000765925_100016993582 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.48 C=C(C)CNC(=O)NNC 512a_100000765925_100016993582 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.48 C=C(C)CNC(=O)NNC 512a_100016993582_100000765925 [0,0,0,0,0,0|4,0,0]=4 52 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,0,0,0,0,0|1,0,3]=4 61 B9R0.48 CC#CC(=O)NNC(=O)C 22a_100000189765_100000763181 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.48 CC(=O)NCC(=O)CC#N 1458a_100000194580_100011214920 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,0,0,0,0,0|3,0,0]=3 69 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,0,0,0,0|3,0,0]=3 74 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,0,0,0,0|3,0,0]=3 75 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,0,0,0,0|3,0,0]=3 77 B9R0.48 CC(=O)SCC(=O)CC#N 1458a_100000049016_100011214920 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,0,0,0,0,0|3,0,0]=3 79 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,0,0,0,0,0|3,0,0]=3 80 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,0,0,0,0,0|2,0,2]=4 84 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,0,0,0,0,0|2,0,2]=4 85 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,0,0,0,0,0|2,0,2]=4 86 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,0,0,0,0,0|1,0,3]=4 87 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,0|2,0,1]=3 92 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,0|2,0,1]=3 93 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,0,0|2,0,0]=2 94 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,0,0|2,0,1]=3 95 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,0,0|2,0,1]=3 96 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,0,0|1,0,2]=3 97 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,0|2,0,0]=2 105 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,0,0,0,0,0|3,0,0]=3 109 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,0,0,0,0,0|3,0,0]=3 119 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,0,0,0,0,0|3,0,0]=3 120 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,0|2,0,0]=2 121 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,0,0,0,0,0|4,0,0]=4 122 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,0,0,0,0,0|4,0,0]=4 123 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,0,0,0,0|3,0,0]=3 125 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,0,0,0,0,0|4,0,0]=4 126 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,0,0,0,0,0|4,0,0]=4 127 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,0,0,0,0,0|4,0,0]=4 128 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,0,0,0,0,0|4,0,0]=4 129 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,0|2,0,1]=3 130 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,0|2,0,1]=3 131 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,0|2,0,1]=3 132 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,0|1,0,0]=1 133 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,0,0,0,0|2,0,0]=2 134 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,0,0,0,0|2,0,0]=2 135 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,0|1,0,0]=1 136 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,0,0,0,0,0|2,0,1]=3 137 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,0,0,0,0,0|2,0,1]=3 138 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,0,0,0,0,0|2,0,1]=3 139 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,0,0,0,0,0|3,0,0]=3 140 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,0,0,0,0,0|3,0,0]=3 141 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,0,0,0,0,0|3,0,0]=3 142 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,0,0,0,0,0|3,0,0]=3 144 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,0,0,0,0,0|3,0,0]=3 145 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,0,0,0,0,0|3,0,0]=3 146 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,0,0,0,0,0|3,0,0]=3 147 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,0,0,0,0,0|3,0,0]=3 148 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,0|2,0,0]=2 149 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,0|2,0,0]=2 150 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,0|2,0,0]=2 151 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,0|2,0,0]=2 152 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,0|2,0,0]=2 153 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,0|2,0,0]=2 154 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,0|2,0,0]=2 155 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,0,0,0,0,0|3,0,0]=3 156 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,0,0,0,0,0|3,0,0]=3 157 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,0,0,0,0|3,0,1]=4 160 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,0|2,0,0]=2 161 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,0|2,0,0]=2 162 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,0,0,0,0,0|3,0,1]=4 163 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,0,0,0,0,0|3,0,1]=4 164 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,0|2,0,0]=2 167 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,0|2,0,0]=2 168 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,0,0,0,0,0|3,0,1]=4 171 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,0,0,0,0,0|3,0,1]=4 172 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,0,0,0,0,0|3,0,1]=4 173 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,0,0,0,0,0|3,0,0]=3 175 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,0,0,0,0,0|3,0,0]=3 176 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,0,0,0,0,0|3,0,0]=3 177 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,0,0,0,0,0|3,0,0]=3 178 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,0,0,0,0,0|2,0,2]=4 185 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,0,0,0,0,0|3,0,0]=3 190 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,0,0,0,0,0|3,0,0]=3 191 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,0,0,0,0,0|3,0,1]=4 192 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,0|0,0,2]=2 193 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,0|0,0,2]=2 194 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,0|0,0,0]=0 195 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,0|0,0,0]=0 196 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,0,0|2,0,0]=2 197 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,0,0|2,0,0]=2 199 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,0,0|2,0,0]=2 200 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,0,0|2,0,0]=2 201 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,0,0|2,0,0]=2 202 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,0|1,0,0]=1 203 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,0,0|2,0,1]=3 204 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,0,0|2,0,1]=3 205 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,0,0|2,0,1]=3 206 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,0,0|2,0,1]=3 207 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,0,0|2,0,1]=3 208 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,0|1,0,0]=1 209 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,0|1,0,0]=1 210 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,0,0,0,0|2,0,2]=4 211 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,0,0,0,0|2,0,2]=4 212 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,0,0,0,0|2,0,2]=4 213 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,0,0,0,0|3,0,0]=3 214 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,0,0,0,0,0|4,0,0]=4 215 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,0,0,0,0,0|4,0,0]=4 216 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,0,0,0,0,0|4,0,0]=4 217 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,0,0,0,0,0|3,0,1]=4 218 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,0,0,0,0,0|3,0,0]=3 219 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,0,0,0,0,0|3,0,1]=4 220 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,0,0,0,0,0|4,0,0]=4 221 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,0,0,0,0,0|4,0,0]=4 222 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,0,0,0,0,0|3,0,0]=3 223 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,0,0,0,0,0|4,0,0]=4 224 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,0,0,0,0,0|3,0,0]=3 225 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,0,0,0,0,0|4,0,0]=4 226 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,0,0,0,0,0|4,0,0]=4 227 B9R0.48 CNNC(=O)NNC(=O)C 512a_100000189765_100016993582 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,0,0,0,0,0|3,0,1]=4 229 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,0,0,0,0,0|3,0,1]=4 230 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,0,0,0,0,0|2,0,2]=4 231 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,0,0,0,0|3,0,0]=3 232 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,0,0,0,0,0|4,0,0]=4 233 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,0,0,0,0,0|4,0,0]=4 234 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,0,0,0,0,0|4,0,0]=4 235 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,0,0,0,0,0|4,0,0]=4 236 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,0,0,0,0,0|4,0,0]=4 237 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,0,0,0,0,0|3,0,1]=4 238 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,0,0,0,0,0|3,0,1]=4 239 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,0,0,0,0,0|2,0,2]=4 240 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,0,0,0,0|3,0,0]=3 241 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,0,0,0,0|3,0,0]=3 242 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,0,0,0,0,0|4,0,0]=4 243 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,0,0,0,0,0|4,0,0]=4 244 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,0,0,0,0,0|4,0,0]=4 245 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,0,0,0,0,0|4,0,0]=4 246 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,0,0,0,0,0|4,0,0]=4 247 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,0,0,0,0,0|4,0,0]=4 248 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,0,0,0,0,0|4,0,0]=4 249 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,0,0,0,0,0|4,0,0]=4 250 B9R0.48 N#CCC(=O)CCC(=O)N 1458a_100011215257_100011214920 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,0,0,0,0,0|3,0,0]=3 252 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,0,0,0,0,0|3,0,0]=3 253 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,0,0,0,0,0|4,0,0]=4 254 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,0,0,0,0,0|4,0,0]=4 255 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,0,0,0,0,0|4,0,0]=4 256 B9R0.48 O=C(CCF)CC[N+](=O)[O-] 1458a_200000064761_100011217306 [0,0,0,0,0,0|4,0,0]=4 257 B9R0.48 O=C(CCO)CC[N+](=O)[O-] 1458a_200000064761_100000211926 [0,0,0,0,0,0|4,0,0]=4 258 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,0,0,0,0,0|4,0,0]=4 259 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,0,0,0,0|1,0,2]=4 260 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,0,0,0,0|1,0,2]=4 261 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 262 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 263 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 264 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|1,0,1]=3 265 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [1,0,0,0,0,0|1,0,2]=4 269 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [1,0,0,0,0,0|1,0,2]=4 270 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|1,0,1]=3 271 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|1,0,1]=3 272 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [1,0,0,0,0,0|2,0,1]=4 273 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,0,0,0,0,0|2,0,1]=4 275 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [1,0,0,0,0,0|2,0,1]=4 276 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,0,0,0,0,0|1,0,1]=3 278 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,0,0,0,0,0|1,0,1]=3 279 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,0,0,0,0,0|1,0,1]=3 280 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,0,0,0,0,0|1,0,2]=4 282 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,0,0,0,0,0|1,0,2]=4 283 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [1,0,0,0,0,0|2,0,1]=4 287 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [1,0,0,0,0,0|1,0,2]=4 293 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|1,0,2]=4 294 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,0,0,0,0,0|2,0,1]=4 296 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,0,0,0,0|1,0,2]=4 297 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [1,0,0,0,0,0|1,0,2]=4 298 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|1,0,2]=4 299 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,0,0,0,0,0|2,0,1]=4 300 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [1,0,0,0,0,0|1,0,2]=4 302 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|1,0,1]=3 303 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|1,0,1]=3 304 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|1,0,1]=3 310 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|1,0,1]=3 311 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|1,0,1]=3 312 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|1,0,2]=4 318 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|2,0,0]=3 319 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|2,0,0]=3 320 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|2,0,0]=3 321 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|2,0,0]=3 322 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,0,0,0,0,0|3,0,0]=4 328 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,0,0,0,0,0|3,0,0]=4 329 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,0,0,0,0,0|3,0,0]=4 330 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,0,0,0,0,0|3,0,0]=4 331 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|1,0,1]=3 333 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|1,0,1]=3 334 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|2,0,1]=4 336 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|2,0,1]=4 337 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|2,0,1]=4 339 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 340 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 341 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 342 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,1]=4 343 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,0,0,0,0|1,0,2]=4 344 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,0,0,0,0|1,0,2]=4 345 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,0,0,0,0|1,0,2]=4 346 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 358 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 359 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,0]=3 363 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 364 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 365 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 367 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,0]=3 372 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,0]=3 373 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 375 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|1,0,1]=3 385 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 386 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|1,0,0]=2 387 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 388 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|1,0,0]=2 389 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|1,0,0]=2 390 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|1,0,0]=2 391 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|1,0,0]=2 392 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|1,0,0]=2 393 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|1,0,1]=3 394 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|1,0,1]=3 395 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|2,0,0]=3 398 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|2,0,0]=3 399 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|1,0,1]=3 400 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,0,0,0,0,0|3,0,0]=4 402 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,0,0,0,0,0|3,0,0]=4 411 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,0,0,0,0,0|3,0,0]=4 412 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|3,0,0]=4 413 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|3,0,0]=4 414 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|3,0,0]=4 415 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|3,0,0]=4 416 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [1,0,0,0,0,0|2,0,1]=4 417 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,1]=4 419 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|2,0,1]=4 420 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|2,0,1]=4 421 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|1,0,1]=3 424 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|1,0,1]=3 425 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|1,1,1]=4 426 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|1,1,1]=4 427 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 428 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 429 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|3,0,0]=4 430 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|3,0,0]=4 431 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 432 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 433 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|3,0,0]=4 434 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|3,0,0]=4 435 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|3,0,0]=4 436 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|3,0,0]=4 437 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|1,0,0]=2 439 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,0,0,0,0,0|3,0,0]=4 440 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,0,0,0,0,0|3,0,0]=4 441 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|1,0,1]=3 442 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|1,0,1]=3 443 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,0,0,0,0,0|3,0,0]=4 444 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|1,0,1]=3 445 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|1,0,1]=3 446 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|1,0,1]=3 447 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|2,0,1]=4 448 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|2,0,1]=4 449 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|2,0,1]=4 451 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|2,0,1]=4 452 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|2,0,1]=4 453 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|2,0,1]=4 454 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|2,0,1]=4 455 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|2,0,1]=4 456 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|2,0,1]=4 457 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|2,0,0]=3 458 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|2,0,0]=3 459 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|2,0,0]=3 460 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|2,0,0]=3 465 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|2,0,0]=3 466 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|3,0,0]=4 470 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|2,0,1]=4 471 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|2,0,1]=4 472 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|2,0,1]=4 473 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|2,0,1]=4 474 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|1,0,2]=4 475 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|0,0,1]=2 476 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|0,0,1]=2 477 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|0,0,1]=2 478 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|0,0,1]=2 479 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|1,0,1]=3 480 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,0,0,0,0,0|1,0,2]=4 481 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,0,0,0,0,0|1,0,2]=4 482 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,0,0,0,0,0|1,0,2]=4 483 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|0,0,3]=4 484 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,0,0,0,0,0|2,0,1]=4 485 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,0,0,0,0,0|2,0,1]=4 486 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,0,0,0,0,0|2,0,1]=4 487 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|1,0,1]=3 488 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|1,0,1]=3 489 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|1,0,1]=3 490 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|1,0,1]=3 491 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|1,0,1]=3 492 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,0,0,0,0,0|2,0,1]=4 493 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|1,0,1]=3 494 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,0,0,0,0|2,0,1]=4 496 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|2,0,1]=4 497 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,0,0,0,0,0|2,0,1]=4 498 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,0,0,0,0,0|2,0,1]=4 500 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,0,0,0,0,0|2,0,1]=4 501 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|0,1,1]=3 502 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|0,1,1]=3 503 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|1,1,1]=4 504 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|1,1,1]=4 505 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|1,1,1]=4 506 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|1,1,1]=4 507 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|1,1,1]=4 508 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|1,1,1]=4 509 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|1,1,1]=4 510 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|1,1,1]=4 511 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|1,1,1]=4 512 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|1,1,1]=4 513 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|2,0,1]=4 514 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|2,0,1]=4 515 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|2,0,1]=4 516 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|2,0,1]=4 517 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|3,0,0]=4 518 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|3,0,0]=4 519 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|2,0,1]=4 520 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|2,0,1]=4 521 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,0,0,0,0|3,0,0]=4 522 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|3,0,0]=4 523 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|3,0,0]=4 524 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|3,0,0]=4 526 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [1,0,0,0,0,0|1,0,2]=4 527 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,0,0,0,0,0|1,0,0]=2 528 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,0,0,0,0,0|1,0,0]=2 529 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [1,0,0,0,0,0|2,0,0]=3 530 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,0,0,0,0,0|2,0,0]=3 531 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,0,0,0,0,0|2,0,0]=3 532 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,0,0,0,0,0|2,0,0]=3 533 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,0,0,0,0,0|2,0,0]=3 534 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,0,0,0,0,0|2,0,0]=3 535 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [1,0,0,0,0,0|3,0,0]=4 536 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [1,0,0,0,0,0|3,0,0]=4 537 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,0,0,0,0,0|2,0,0]=3 538 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,0,0,0,0,0|2,0,0]=3 539 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,0,0,0,0,0|2,0,0]=3 540 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,0,0,0,0,0|2,0,0]=3 541 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [1,0,0,0,0,0|3,0,0]=4 542 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [1,0,0,0,0,0|3,0,0]=4 543 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [1,0,0,0,0,0|3,0,0]=4 544 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [1,0,0,0,0,0|3,0,0]=4 545 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [1,0,0,0,0,0|3,0,0]=4 548 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [1,0,0,0,0,0|3,0,0]=4 549 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,0,0,0,0,0|1,0,2]=4 550 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [1,0,0,0,0,0|1,0,2]=4 551 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [1,0,0,0,0,0|1,0,2]=4 552 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [1,0,0,0,0,0|2,0,1]=4 553 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,0,0,0,0,0|2,0,1]=4 554 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [1,0,0,0,0,0|2,0,0]=3 555 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [1,0,0,0,0,0|3,0,0]=4 556 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [1,0,0,0,0,0|2,0,0]=3 557 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [1,0,0,0,0,0|2,0,0]=3 558 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,0,0,0,0,0|2,0,1]=4 559 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,0,0,0,0,0|2,0,1]=4 560 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,0,0,0,0,0|1,0,2]=4 561 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,0,0,0,0|1,0,1]=3 562 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,0,0,0,0|1,0,1]=3 563 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,0,0,0,0|1,0,0]=2 564 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,0,0,0,0,0|1,0,1]=3 565 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,0,0,0,0,0|1,0,1]=3 566 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,0,0,0,0,0|0,0,2]=3 567 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,0,0,0,0,0|2,0,0]=3 568 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,0,0,0,0,0|2,0,0]=3 569 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,0,0,0,0,0|1,0,0]=2 570 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [1,0,0,0,0,0|2,0,0]=3 571 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,0,0,0,0|1,0,0]=2 572 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,0,0,0,0,0|2,0,1]=4 573 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,0,0,0,0,0|2,0,1]=4 574 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,0,0,0,0,0|1,0,0]=2 575 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,0,0,0,0,0|2,0,1]=4 576 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,0,0,0,0,0|2,0,1]=4 577 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,0,0,0,0,0|1,0,0]=2 579 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,0,0,0,0,0|2,0,0]=3 580 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,0,0,0,0,0|2,0,0]=3 581 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,0,0,0,0,0|2,0,0]=3 582 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,0,0,0,0,0|1,0,0]=2 583 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,0,0,0,0,0|2,0,1]=4 584 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,0,0,0,0,0|2,0,1]=4 585 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,0,0,0,0,0|2,0,1]=4 586 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,0,0,0,0,0|2,0,1]=4 587 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,0,0,0,0,0|1,0,2]=4 588 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,0,0,0,0,0|1,0,2]=4 589 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,0,0,0,0,0|1,0,2]=4 590 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [1,0,0,0,0,0|2,0,0]=3 591 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [1,0,0,0,0,0|2,0,0]=3 592 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,0,0|1,0,1]=3 593 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,0,0|1,0,1]=3 594 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,0,0,0,0|2,0,1]=4 595 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,0,0,0,0|2,0,1]=4 596 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,0,0,0,0|2,0,1]=4 597 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,0,0,0,0|2,0,1]=4 598 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,0,0,0,0,0|2,0,1]=4 599 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,0,0,0,0,0|1,0,2]=4 600 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,0,0,0,0,0|1,0,2]=4 601 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,0,0,0,0,0|1,0,2]=4 602 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,0,0,0,0,0|2,0,0]=3 603 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,0,0,0,0,0|2,0,0]=3 604 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [1,0,0,0,0,0|3,0,0]=4 605 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [1,0,0,0,0,0|3,0,0]=4 606 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [1,0,0,0,0,0|3,0,0]=4 607 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [1,0,0,0,0,0|3,0,0]=4 608 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,0,0,0,0,0|2,0,0]=3 609 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,0,0,0,0,0|3,0,0]=4 610 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [1,0,0,0,0,0|3,0,0]=4 611 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,0,0,0,0,0|1,0,0]=2 612 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,0,0,0,0,0|1,0,0]=2 613 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [1,0,0,0,0,0|1,0,2]=4 614 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [1,0,0,0,0,0|1,0,2]=4 615 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [1,0,0,0,0,0|2,0,1]=4 616 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [1,0,0,0,0,0|2,0,1]=4 617 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [1,0,0,0,0,0|2,0,1]=4 618 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [1,0,0,0,0,0|2,0,1]=4 619 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,0,0,0,0,0|1,0,0]=2 620 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [1,0,0,0,0,0|2,0,0]=3 621 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [1,0,0,0,0,0|2,0,0]=3 622 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,0,0,0,0,0|1,0,0]=2 623 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,0,0,0,0,0|2,0,1]=4 624 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,0,0,0,0,0|2,0,1]=4 625 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,0,0,0,0,0|2,0,1]=4 626 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,0,0,0,0,0|2,0,1]=4 627 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,0,0,0,0,0|1,0,2]=4 628 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,0,0,0,0,0|3,0,0]=4 629 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,0,0,0,0,0|3,0,0]=4 630 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,0,0,0,0,0|3,0,0]=4 631 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,0,0,0,0,0|3,0,0]=4 632 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,0,0,0,0,0|3,0,0]=4 633 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,0,0,0,0,0|3,0,0]=4 634 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,0,0,0,0,0|3,0,0]=4 635 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,0,0,0,0,0|3,0,0]=4 636 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,0,0,0,0,0|3,0,0]=4 637 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [1,0,0,0,0,0|3,0,0]=4 638 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [1,0,0,0,0,0|3,0,0]=4 639 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [1,0,0,0,0,0|3,0,0]=4 640 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,0,0,0,0,0|3,0,0]=4 641 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,0,0,0,0,0|3,0,0]=4 642 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,0,0,0,0,0|3,0,0]=4 643 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [1,0,0,0,0,0|2,0,0]=3 644 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [1,0,0,0,0,0|2,0,0]=3 645 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [1,0,0,0,0,0|2,0,0]=3 646 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [1,0,0,0,0,0|2,0,0]=3 647 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [1,0,0,0,0,0|2,0,0]=3 648 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [1,0,0,0,0,0|2,0,0]=3 649 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [1,0,0,0,0,0|2,0,0]=3 650 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [1,0,0,0,0,0|3,0,0]=4 651 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [1,0,0,0,0,0|3,0,0]=4 652 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [1,0,0,0,0,0|2,0,0]=3 653 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [1,0,0,0,0,0|2,0,0]=3 654 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [1,0,0,0,0,0|2,0,0]=3 655 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [1,0,0,0,0,0|2,0,0]=3 656 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [1,0,0,0,0,0|2,0,0]=3 657 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [1,0,0,0,0,0|2,0,0]=3 658 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [1,0,0,0,0,0|3,0,0]=4 659 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [1,0,0,0,0,0|3,0,0]=4 660 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [1,0,0,0,0,0|3,0,0]=4 661 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [1,0,0,0,0,0|3,0,0]=4 662 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [1,0,0,0,0,0|3,0,0]=4 663 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [1,0,0,0,0,0|3,0,0]=4 664 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [1,0,0,0,0,0|3,0,0]=4 665 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,0,0,0,0|0,0,0]=1 666 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,0,0,0,0|0,0,0]=1 667 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,0,0,0,0,0|2,0,0]=3 668 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,0,0,0,0,0|2,0,0]=3 669 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,0,0,0,0,0|2,0,0]=3 670 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,0,0,0,0,0|2,0,0]=3 671 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,0,0,0,0,0|1,0,0]=2 672 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,0,0,0,0,0|2,0,1]=4 673 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,0,0,0,0,0|2,0,1]=4 674 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,0,0,0,0,0|2,0,1]=4 675 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,0,0,0,0,0|2,0,1]=4 676 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,0,0,0,0,0|2,0,1]=4 677 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,0,0,0,0,0|1,0,0]=2 678 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,0,0,0,0,0|1,0,0]=2 679 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,0,0,0,0,0|2,0,1]=4 680 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,0,0,0,0,0|2,0,1]=4 681 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,0,0,0,0,0|2,0,1]=4 682 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,0,0,0,0,0|2,0,1]=4 683 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [1,0,0,0,0,0|3,0,0]=4 684 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [1,0,0,0,0,0|2,0,0]=3 685 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [1,0,0,0,0,0|3,0,0]=4 686 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [1,0,0,0,0,0|3,0,0]=4 687 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [1,0,0,0,0,0|3,0,0]=4 688 B8R0.9 O=C(CF)CC[N+](=O)[O-] 1458a_200000064761_100015361967 [1,0,0,0,0,0|3,0,0]=4 689 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,1,0,0,0,0|2,0,1]=4 690 B10R0.26 C=C(C)C(=O)CC(=O)NCC 1458a_100000185857_100000183381 [0,1,0,0,0,0|2,0,1]=4 691 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,1,0,0,0,0|1,0,1]=3 692 B10R0.26 CC#CC(=O)CC(=O)C(=O)C 1458a_100000763181_100011261029 [0,1,0,0,0,0|1,0,2]=4 693 B10R0.26 CC(=O)C(=O)CC(=O)CCO 1458a_100011216618_100011261029 [0,1,0,0,0,0|2,0,1]=4 694 B10R0.26 CC(=O)N(C)CC(=O)CCF 1458a_100000194957_100011217306 [0,1,0,0,0,0|3,0,0]=4 695 B10R0.26 CC(=O)N(C)CC(=O)CCO 1458a_100000194957_100000211926 [0,1,0,0,0,0|3,0,0]=4 696 B10R0.26 CC=CC(=O)CC(=O)C(=O)C 1458a_100000210699_100011261029 [0,1,0,0,0,0|1,0,2]=4 697 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,1,0,0,0,0|1,0,1]=3 698 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,1,0,0,0,0|3,0,0]=4 699 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,1,0,0,0,0|2,0,0]=3 700 B10R0.26 CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210303 [0,1,0,0,0,0|3,0,0]=4 701 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,1,0,0,0,0|2,0,0]=3 702 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,1,0,0,0,0|2,0,0]=3 703 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211992 [0,1,0,0,0,0|3,0,0]=4 704 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211992 [0,1,0,0,0,0|3,0,0]=4 705 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211992 [0,1,0,0,0,0|3,0,0]=4 706 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,1,0,0,0,0|3,0,0]=4 707 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100000741943_100015343762 [0,1,0,0,0,0|2,0,0]=3 708 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100015525214_100000194957 [0,1,0,0,0,0|2,0,0]=3 709 B10R0.26 CCNC(=O)CN(C)C(=O)C 1626a_100000741943_100015343762 [0,1,0,0,0,0|2,0,0]=3 710 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100000741943_100015343762 [0,1,0,0,0,0|2,0,0]=3 711 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100015525214_100000194957 [0,1,0,0,0,0|2,0,0]=3 712 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100000741943_100103153847 [0,1,0,0,0,0|2,0,0]=3 713 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100015525214_100000194957 [0,1,0,0,0,0|2,0,0]=3 714 B10R0.26 CCNC(=O)CN(C)C(=O)N 240690a_100015525214_100000218718 [0,1,0,0,0,0|3,0,0]=4 715 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100015525214 [0,1,0,0,0,0|3,0,0]=4 716 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100015525214_100000119354 [0,1,0,0,0,0|3,0,0]=4 717 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100015525214 [0,1,0,0,0,0|3,0,0]=4 718 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100015525214_100000119354 [0,1,0,0,0,0|3,0,0]=4 719 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,0,0|1,0,2]=4 720 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,0,0|1,0,2]=4 721 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,1,0,0,0,0|1,0,2]=4 722 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,1,0,0,0,0|2,0,1]=4 723 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,0|0,0,3]=4 724 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,0|0,0,3]=4 725 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,0|0,0,0]=1 726 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,0,0|2,0,0]=3 727 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,0,0|2,0,0]=3 728 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,0|1,0,0]=2 729 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,0|1,0,0]=2 730 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,0|1,0,0]=2 731 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,0|1,0,0]=2 732 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,0,0|2,0,1]=4 733 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,0,0|2,0,1]=4 734 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,0,0|2,0,1]=4 735 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,0,0|2,0,1]=4 736 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,0,0|2,0,1]=4 737 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,0,0|2,0,1]=4 738 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,0,0|3,0,0]=4 739 B10R0.26 CNNC(=O)CN(C)C(=O)C 22a_100016993582_100000194957 [0,1,0,0,0,0|3,0,0]=4 740 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [0,1,0,0,0,0|2,0,1]=4 741 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [0,1,0,0,0,0|2,0,1]=4 742 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [0,1,0,0,0,0|3,0,0]=4 743 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [0,1,0,0,0,0|2,0,1]=4 744 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [0,1,0,0,0,0|2,0,1]=4 745 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [0,1,0,0,0,0|2,0,1]=4 746 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [0,1,0,0,0,0|2,0,1]=4 747 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,1,0,0,0,0|2,0,1]=4 748 B10R0.32 C=C(C)CC(=O)C(=O)NCC 1458a_200011297158_100000748629 [0,1,0,0,0,0|2,0,1]=4 749 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,1,0,0,0,0|3,0,0]=4 750 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,1,0,0,0,0|3,0,0]=4 751 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,1,0,0,0,0|3,0,0]=4 752 B10R0.32 C=C(C)CN(C)C(=O)NCC 2708a_100015525214_100000225649 [0,1,0,0,0,0|3,0,0]=4 753 B10R0.32 C=C(C)CN(C)C(=O)NCC 273464a_100015525214_100000225649 [0,1,0,0,0,0|3,0,0]=4 754 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,1,0,0,0,0|2,0,1]=4 755 B10R0.32 C=C(NC(=O)C)C(=O)NCC 240690a_100015525214_100000758921 [0,1,0,0,0,0|2,0,1]=4 756 B10R0.32 CC#CC(=O)C(C)OC(=O)C 1458a_100000763181_100009818208 [0,1,0,0,0,0|2,0,1]=4 757 B10R0.32 CC(=O)N[C@H](C)C(=O)CCF 1458a_100011504603_100011217306 [0,1,0,0,0,0|3,0,0]=4 758 B10R0.32 CC(=O)N[C@H](C)C(=O)CCO 1458a_100011504603_100000211926 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,1,0,0,0,0|3,0,0]=4 760 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCF 1458a_100009816467_100011217306 [0,1,0,0,0,0|3,0,0]=4 761 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,1,0,0,0,0|3,0,0]=4 762 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,0,0|2,0,1]=4 764 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,1,0,0,0,0|3,0,0]=4 765 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,0,0,0,0|2,0,0]=3 766 B10R0.32 CCCC(=O)N(C)CC(=O)N 11a_100000739694_100000211992 [0,1,0,0,0,0|3,0,0]=4 767 B10R0.32 CCCC(=O)N(C)CC(=O)N 527a_100000739694_100000211992 [0,1,0,0,0,0|3,0,0]=4 768 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,0,0,0,0|2,0,0]=3 769 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,0,0|2,0,1]=4 770 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,0,0,0,0|2,0,0]=3 771 B10R0.32 CCNC(=O)C(=O)CC(=O)N 1458a_200011297158_100000187820 [0,1,0,0,0,0|2,0,1]=4 772 B10R0.32 CCNC(=O)C(=O)CC(=O)[O-] 1458a_200011297158_100020667443 [0,1,0,0,0,0|2,0,1]=4 773 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,1,0,0,0,0|3,0,0]=4 774 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,1,0,0,0,0|2,0,0]=3 775 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,1,0,0,0,0|2,0,0]=3 776 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,1,0,0,0,0|2,0,0]=3 777 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,1,0,0,0,0|2,0,0]=3 778 B10R0.32 CCNC(=O)N(C)CC(=O)N 2708a_100015525214_100000739694 [0,1,0,0,0,0|3,0,0]=4 779 B10R0.32 CCNC(=O)N(C)CC(=O)N 273464a_100015525214_100000739694 [0,1,0,0,0,0|3,0,0]=4 780 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,1,0,0,0,0|2,0,0]=3 781 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,1,0,0,0,0|2,0,0]=3 782 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,1,0,0,0,0|2,0,0]=3 783 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,0,0|2,0,1]=4 784 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,1,0,0,0,0|2,0,0]=3 785 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,1,0,0,0,0|2,0,0]=3 786 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,1,0,0,0,0|2,0,0]=3 787 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,0,0|2,0,1]=4 788 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,0,0|2,0,1]=4 789 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,0,0|2,0,1]=4 790 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,0,0|2,0,1]=4 791 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,0,0|2,0,1]=4 792 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,0,0|2,0,1]=4 793 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,0,0|2,0,1]=4 794 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,0,0|2,0,1]=4 795 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,0,0|2,0,1]=4 796 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,0,0|2,0,1]=4 797 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,0,0|2,0,1]=4 798 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,0,0,0,0|1,0,0]=2 799 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,0,0|2,0,1]=4 800 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,1,0,0,0,0|1,1,0]=3 801 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,1,0,0,0,0|1,1,0]=3 802 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,1,0,0,0,0|1,1,0]=3 803 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,1,0,0,0,0|1,1,0]=3 804 B10R0.32 CNNC(=O)[C@@H](C)NC(=O)C 22a_100016993582_100011504603 [0,1,0,0,0,0|3,0,0]=4 805 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,1,0,0,0,0|3,0,0]=4 806 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,1,0,0,0,0|3,0,0]=4 807 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,1,0,0,0,0|3,0,0]=4 809 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,1,0,0,0,0|2,0,0]=3 810 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,1,0,0,0,0|2,0,0]=3 811 B10R0.57 C=C(C)CCC(=O)C(C)OC 1458a_100000743197_100000730704 [0,1,0,0,0,0|3,0,0]=4 812 B10R0.57 C=C(C)CCC(=O)C(C)SC 1458a_100000149566_100000730704 [0,1,0,0,0,0|3,0,0]=4 813 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,1,0,0,0,0|2,0,0]=3 814 B10R0.57 C=C(C)CCC(=O)C(O)CO 1458a_100011215603_100000730704 [0,1,0,0,0,0|3,0,0]=4 815 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,1,0,0,0,0|2,0,0]=3 816 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,1,0,0,0,0|2,0,0]=3 817 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,1,0,0,0,0|2,0,0]=3 818 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,1,0,0,0,0|2,0,0]=3 819 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,1,0,0,0,0|3,0,0]=4 820 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,1,0,0,0,0|3,0,0]=4 821 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,1,0,0,0,0|3,0,0]=4 822 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,1,0,0,0,0|3,0,0]=4 823 B10R0.57 C=C(C)CNC(=O)C(O)CC 240690a_100000765925_100011196387 [0,1,0,0,0,0|3,0,0]=4 824 B10R0.57 C=C(C)CNC(=O)N(C)CC 2708a_100000765925_100000225621 [0,1,0,0,0,0|3,0,0]=4 825 B10R0.57 C=C(C)CNC(=O)N(C)CC 273464a_100000765925_100000225621 [0,1,0,0,0,0|3,0,0]=4 826 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,1,0,0,0,0|2,0,1]=4 827 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,1,0,0,0,0|2,0,1]=4 828 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,1,0,0,0,0|2,0,0]=3 829 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,1,0,0,0,0|2,0,1]=4 830 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,1,0,0,0,0|2,0,1]=4 831 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,1,0,0,0,0|1,0,2]=4 832 B10R0.57 CCC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000758301 [0,1,0,0,0,0|3,0,0]=4 833 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [0,1,0,0,0,0|3,0,0]=4 834 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,1,0,0,0,0|2,0,0]=3 835 B10R0.57 CCC(C)C(=O)CNC(=O)N 1458a_100000184981_100000758301 [0,1,0,0,0,0|3,0,0]=4 836 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,1,0,0,0,0|2,0,0]=3 837 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,1,0,0,0,0|2,0,0]=3 838 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,1,0,0,0,0|2,0,0]=3 839 B10R0.57 CCC(C)C(=O)NCC(=O)N 11a_100000711301_100011192722 [0,1,0,0,0,0|3,0,0]=4 840 B10R0.57 CCC(C)C(=O)NCC(=O)N 240690a_100000711301_100011192722 [0,1,0,0,0,0|3,0,0]=4 841 B10R0.57 CCC(C)C(=O)NCC(=O)N 527a_100000711301_100011192722 [0,1,0,0,0,0|3,0,0]=4 842 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,1,0,0,0,0|2,0,0]=3 843 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000189765_100011192722 [0,1,0,0,0,0|3,0,0]=4 844 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000740736_100000070787 [0,1,0,0,0,0|3,0,0]=4 845 B10R0.57 CCC(C)N(C)CCC(=O)C 269982a_100000741768_100000053229 [0,1,0,0,0,0|3,0,0]=4 846 B10R0.57 CCC(O)C(=O)CC=C(C)C 1458a_100011196387_100000761012 [0,1,0,0,0,0|2,0,1]=4 847 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,1,0,0,0,0|2,0,1]=4 848 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,1,0,0,0,0|1,0,2]=4 849 B10R0.57 CCC(O)C(=O)NCC(=O)N 240690a_100000711301_100011196387 [0,1,0,0,0,0|3,0,0]=4 850 B10R0.57 CCC(O)C(=O)NNC(=O)C 22a_100000189765_100011196387 [0,1,0,0,0,0|3,0,0]=4 851 B10R0.57 CCN(C)C(=O)CC=C(C)C 11a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 852 B10R0.57 CCN(C)C(=O)CC=C(C)C 1626a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 853 B10R0.57 CCN(C)C(=O)CC=C(C)C 240690a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 854 B10R0.57 CCN(C)C(=O)CC=C(C)C 527a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 855 B10R0.57 CCN(C)C(=O)CCC(=O)N 240690a_100000225621_100011215257 [0,1,0,0,0,0|2,0,0]=3 856 B10R0.57 CCN(C)C(=O)CCC(=O)N 527a_100000225621_100011215257 [0,1,0,0,0,0|2,0,0]=3 857 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,1,0,0,0,0|2,0,1]=4 858 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,1,0,0,0,0|2,0,1]=4 859 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,1,0,0,0,0|2,0,1]=4 860 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,1,0,0,0,0|2,0,1]=4 861 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,1,0,0,0,0|1,0,2]=4 862 B10R0.57 CCN(C)C(=O)CCN(C)C 11a_100000225621_100000689311 [0,1,0,0,0,0|3,0,0]=4 863 B10R0.57 CCN(C)C(=O)CCN(C)C 240690a_100000225621_100000689311 [0,1,0,0,0,0|3,0,0]=4 864 B10R0.57 CCN(C)C(=O)CCN(C)C 527a_100000225621_100000689311 [0,1,0,0,0,0|3,0,0]=4 865 B10R0.57 CCN(C)C(=O)CC[N+](=O)[O-] 11a_100000225621_200000064761 [0,1,0,0,0,0|3,0,0]=4 866 B10R0.57 CCN(C)C(=O)CC[N+](=O)[O-] 1626a_100000225621_200000064761 [0,1,0,0,0,0|3,0,0]=4 867 B10R0.57 CCN(C)C(=O)CC[N+](=O)[O-] 240690a_100000225621_200000064761 [0,1,0,0,0,0|3,0,0]=4 868 B10R0.57 CCN(C)C(=O)CC[S+](C)C 11a_100000225621_100009452791 [0,1,0,0,0,0|3,0,0]=4 869 B10R0.57 CCN(C)C(=O)CC[S+](C)C 1626a_100000225621_100009452791 [0,1,0,0,0,0|3,0,0]=4 870 B10R0.57 CCN(C)C(=O)CC[S+](C)C 240690a_100000225621_100009452791 [0,1,0,0,0,0|3,0,0]=4 871 B10R0.57 CCN(C)C(=O)CNC(=O)C 11a_100000225621_100000194580 [0,1,0,0,0,0|2,0,0]=3 872 B10R0.57 CCN(C)C(=O)CNC(=O)C 1626a_100000225621_100000194580 [0,1,0,0,0,0|2,0,0]=3 873 B10R0.57 CCN(C)C(=O)CNC(=O)C 240690a_100000225621_100000194580 [0,1,0,0,0,0|2,0,0]=3 874 B10R0.57 CCN(C)C(=O)CNC(=O)C 527a_100000225621_100000194580 [0,1,0,0,0,0|2,0,0]=3 875 B10R0.57 CCN(C)C(=O)CNC(=O)N 240690a_100000225621_100000184981 [0,1,0,0,0,0|3,0,0]=4 876 B10R0.57 CCN(C)C(=O)CNC(=O)N 527a_100000225621_100000184981 [0,1,0,0,0,0|3,0,0]=4 877 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,1,0,0,0,0|2,0,0]=3 878 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,1,0,0,0,0|2,0,0]=3 879 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,1,0,0,0,0|2,0,0]=3 880 B10R0.57 CCN(C)C(=O)CSC(=O)C 11a_100000225621_100000049016 [0,1,0,0,0,0|2,0,0]=3 881 B10R0.57 CCN(C)C(=O)CSC(=O)C 1626a_100000225621_100000049016 [0,1,0,0,0,0|2,0,0]=3 882 B10R0.57 CCN(C)C(=O)CSC(=O)C 240690a_100000225621_100000049016 [0,1,0,0,0,0|2,0,0]=3 883 B10R0.57 CCN(C)C(=O)CSC(=O)N 240690a_100000225621_200015941356 [0,1,0,0,0,0|3,0,0]=4 884 B10R0.57 CCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000225621 [0,1,0,0,0,0|3,0,0]=4 885 B10R0.57 CON(C)C(=O)CNC(=O)C 11a_100015207273_100015343762 [0,1,0,0,0,0|3,0,0]=4 886 B10R0.57 CON(C)C(=O)CNC(=O)C 527a_100015207273_100103153847 [0,1,0,0,0,0|3,0,0]=4 887 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_100000692101_100000730704 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_200000688413_100000753159 [0,1,0,0,0,0|2,0,1]=4 889 B10R0.78 C#CCCC(=O)CCC(=O)N 1458a_100011215257_100000753159 [0,1,0,0,0,0|2,0,1]=4 890 B10R0.78 C#CCCC(=O)CNC(=O)C 1458a_100000194580_100000753159 [0,1,0,0,0,0|2,0,1]=4 891 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [0,1,0,0,0,0|2,0,1]=4 892 B10R0.78 C#CCCC(=O)CSC(=O)C 1458a_100000049016_100000753159 [0,1,0,0,0,0|2,0,1]=4 893 B10R0.78 C#CCNC(=O)CCC(=C)C 11a_100000212058_200000688413 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.78 C#CCNC(=O)CCC(=C)C 1626a_100000212058_200000688413 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.78 C#CCNC(=O)CCC(=C)C 240690a_100000212058_200000688413 [0,1,0,0,0,0|2,0,1]=4 896 B10R0.78 C#CCNC(=O)CCC(=C)C 527a_100000212058_200000688413 [0,1,0,0,0,0|2,0,1]=4 897 B10R0.78 C#CCNC(=O)CCC(=O)N 240690a_100000212058_100011215257 [0,1,0,0,0,0|2,0,1]=4 898 B10R0.78 C#CCNC(=O)CCC(=O)N 527a_100000212058_100011215257 [0,1,0,0,0,0|2,0,1]=4 899 B10R0.78 C#CCNC(=O)CNC(=O)C 11a_100000212058_100000194580 [0,1,0,0,0,0|2,0,1]=4 900 B10R0.78 C#CCNC(=O)CNC(=O)C 11a_100000747989_100015343762 [0,1,0,0,0,0|2,0,1]=4 901 B10R0.78 C#CCNC(=O)CNC(=O)C 1626a_100000212058_100000194580 [0,1,0,0,0,0|2,0,1]=4 902 B10R0.78 C#CCNC(=O)CNC(=O)C 1626a_100000747989_100015343762 [0,1,0,0,0,0|2,0,1]=4 903 B10R0.78 C#CCNC(=O)CNC(=O)C 240690a_100000212058_100000194580 [0,1,0,0,0,0|2,0,1]=4 904 B10R0.78 C#CCNC(=O)CNC(=O)C 240690a_100000747989_100015343762 [0,1,0,0,0,0|2,0,1]=4 905 B10R0.78 C#CCNC(=O)CNC(=O)C 527a_100000212058_100000194580 [0,1,0,0,0,0|2,0,1]=4 906 B10R0.78 C#CCNC(=O)CNC(=O)C 527a_100000747989_100103153847 [0,1,0,0,0,0|2,0,1]=4 907 B10R0.78 C#CCNC(=O)COC(=O)C 1626a_100000212058_100000183556 [0,1,0,0,0,0|2,0,1]=4 908 B10R0.78 C#CCNC(=O)COC(=O)C 240690a_100000212058_100000183556 [0,1,0,0,0,0|2,0,1]=4 909 B10R0.78 C#CCNC(=O)COC(=O)C 527a_100000212058_100000183556 [0,1,0,0,0,0|2,0,1]=4 910 B10R0.78 C#CCNC(=O)CSC(=O)C 11a_100000212058_100000049016 [0,1,0,0,0,0|2,0,1]=4 911 B10R0.78 C#CCNC(=O)CSC(=O)C 1626a_100000212058_100000049016 [0,1,0,0,0,0|2,0,1]=4 912 B10R0.78 C#CCNC(=O)CSC(=O)C 240690a_100000212058_100000049016 [0,1,0,0,0,0|2,0,1]=4 913 B10R0.78 C/C=C/CC(=O)CCC(=O)N 1458a_100011215257_100102629194 [0,1,0,0,0,0|2,0,1]=4 914 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [0,1,0,0,0,0|2,0,1]=4 915 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,1,0,0,0,0|2,0,1]=4 916 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [0,1,0,0,0,0|2,0,1]=4 917 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [0,1,0,0,0,0|2,0,0]=3 918 B10R0.78 C=C(C)CCC(=O)C#CCO 1458a_100000049017_100000730704 [0,1,0,0,0,0|2,0,1]=4 919 B10R0.78 C=C(C)CCC(=O)C/C=C/C 1458a_200000688413_100102629194 [0,1,0,0,0,0|2,0,1]=4 920 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,1,0,0,0,0|2,0,0]=3 921 B10R0.78 C=C(C)CCC(=O)C=COC 1458a_100016268678_100000730704 [0,1,0,0,0,0|2,0,1]=4 922 B10R0.78 C=C(C)CCC(=O)CC#CC 1458a_200000688413_100000748600 [0,1,0,0,0,0|2,0,1]=4 923 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_100121576822_100000730704 [0,1,0,0,0,0|2,0,1]=4 924 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_200000688413_100000070051 [0,1,0,0,0,0|2,0,1]=4 925 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_100011934036_100000730704 [0,1,0,0,0,0|2,0,1]=4 926 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_200000688413_100011215226 [0,1,0,0,0,0|2,0,1]=4 927 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,1,0,0,0,0|2,0,0]=3 928 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,1,0,0,0,0|2,0,0]=3 929 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,1,0,0,0,0|2,0,0]=3 930 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,1,0,0,0,0|2,0,0]=3 931 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,1,0,0,0,0|2,0,0]=3 932 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,1,0,0,0,0|2,0,0]=3 933 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,1,0,0,0,0|2,0,0]=3 934 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,1,0,0,0,0|2,0,0]=3 935 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,1,0,0,0,0|1,0,0]=2 936 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,1,0,0,0,0|1,1,0]=3 937 B10R0.78 C=C(C)CCC(=O)NCC#N 1626a_100000734998_200000688413 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.78 C=C(C)CCC(=O)NCC#N 527a_100000734998_200000688413 [0,1,0,0,0,0|2,0,1]=4 939 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,1,0,0,0,0|2,0,0]=3 940 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,1,0,0,0,0|2,0,0]=3 941 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,1,0,0,0,0|2,0,0]=3 942 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,1,0,0,0,0|2,0,0]=3 943 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [0,1,0,0,0,0|2,0,0]=3 944 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [0,1,0,0,0,0|2,0,0]=3 945 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [0,1,0,0,0,0|2,0,0]=3 946 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [0,1,0,0,0,0|2,0,0]=3 947 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,1,0,0,0,0|2,0,0]=3 948 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,1,0,0,0,0|2,0,0]=3 949 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [0,1,0,0,0,0|2,0,0]=3 950 B10R0.78 C=C(C)CNC(=O)C=CCC 11a_100000765925_100000212282 [0,1,0,0,0,0|3,0,0]=4 951 B10R0.78 C=C(C)CNC(=O)C=CCC 1626a_100000765925_100000212282 [0,1,0,0,0,0|3,0,0]=4 952 B10R0.78 C=C(C)CNC(=O)C=CCC 240690a_100000765925_100000212282 [0,1,0,0,0,0|3,0,0]=4 953 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,1,0,0,0,0|3,0,0]=4 954 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,1,0,0,0,0|3,0,0]=4 955 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,1,0,0,0,0|3,0,0]=4 956 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,1,0,0,0,0|3,0,0]=4 957 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,1,0,0,0,0|3,0,0]=4 958 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,1,0,0,0,0|3,0,0]=4 959 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,1,0,0,0,0|3,0,0]=4 960 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,1,0,0,0,0|3,0,0]=4 961 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,1,0,0,0,0|3,0,0]=4 962 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,1,0,0,0,0|3,0,0]=4 963 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,1,0,0,0,0|3,0,0]=4 964 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,1,0,0,0,0|3,0,0]=4 965 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,1,0,0,0,0|2,0,0]=3 966 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,1,0,0,0,0|2,0,0]=3 967 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,1,0,0,0,0|2,0,0]=3 968 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,1,0,0,0,0|2,0,0]=3 969 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [0,1,0,0,0,0|2,1,0]=4 970 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [0,1,0,0,0,0|2,1,0]=4 971 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [0,1,0,0,0,0|2,1,0]=4 972 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [0,1,0,0,0,0|2,1,0]=4 973 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [0,1,0,0,0,0|3,0,0]=4 974 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [0,1,0,0,0,0|3,0,0]=4 975 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [0,1,0,0,0,0|3,0,0]=4 976 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [0,1,0,0,0,0|3,0,0]=4 977 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [0,1,0,0,0,0|3,0,0]=4 978 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [0,1,0,0,0,0|3,0,0]=4 979 B10R0.78 C=C(C)CNC(=O)NCCF 2708a_100000765925_100000724931 [0,1,0,0,0,0|3,0,0]=4 980 B10R0.78 C=C(C)CNC(=O)NCCF 273464a_100000724931_100000765925 [0,1,0,0,0,0|3,0,0]=4 981 B10R0.78 C=C(C)CNC(=O)NCCF 273464a_100000765925_100000724931 [0,1,0,0,0,0|3,0,0]=4 982 B10R0.78 C=C(C)CNC(=O)NCCF 512a_100000765925_100000724931 [0,1,0,0,0,0|3,0,0]=4 983 B10R0.78 C=C(C)CNC(=O)NCCO 2708a_100000765925_100000210304 [0,1,0,0,0,0|3,0,0]=4 984 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000210304_100000765925 [0,1,0,0,0,0|3,0,0]=4 985 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000765925_100000210304 [0,1,0,0,0,0|3,0,0]=4 986 B10R0.78 C=C(C)CNC(=O)NCCO 512a_100000765925_100000210304 [0,1,0,0,0,0|3,0,0]=4 987 B10R0.78 C=C(C)CNC(=O)NNCC 273464a_100000765925_100000756455 [0,1,0,0,0,0|3,0,0]=4 988 B10R0.78 C=C(C)CNC(=O)NNCC 512a_100000756455_100000765925 [0,1,0,0,0,0|3,0,0]=4 989 B10R0.78 C=C(C)CNC(=O)NNCC 512a_100000765925_100000756455 [0,1,0,0,0,0|3,0,0]=4 990 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_100000749702_100000730704 [0,1,0,0,0,0|2,0,1]=4 991 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_200000688413_100000754431 [0,1,0,0,0,0|2,0,1]=4 992 B10R0.78 C=CCCC(=O)CCC(=O)N 1458a_100011215257_100000754431 [0,1,0,0,0,0|2,0,1]=4 993 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [0,1,0,0,0,0|2,0,1]=4 994 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,1,0,0,0,0|2,0,1]=4 995 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [0,1,0,0,0,0|2,0,1]=4 996 B10R0.78 C=CCNC(=O)CCC(=C)C 1626a_100020586998_200000688413 [0,1,0,0,0,0|2,0,1]=4 997 B10R0.78 C=CCNC(=O)CCC(=C)C 240690a_100020586998_200000688413 [0,1,0,0,0,0|2,0,1]=4 998 B10R0.78 C=CCNC(=O)CCC(=C)C 527a_100020586998_200000688413 [0,1,0,0,0,0|2,0,1]=4 999 B10R0.78 C=CCNC(=O)CCC(=O)N 240690a_100020586998_100011215257 [0,1,0,0,0,0|2,0,1]=4 1000 B10R0.78 C=CCNC(=O)CCC(=O)N 527a_100020586998_100011215257 [0,1,0,0,0,0|2,0,1]=4 1001 B10R0.78 C=CCNC(=O)CNC(=O)C 1626a_100020586998_100000194580 [0,1,0,0,0,0|2,0,1]=4 1002 B10R0.78 C=CCNC(=O)CNC(=O)C 240690a_100020586998_100000194580 [0,1,0,0,0,0|2,0,1]=4 1003 B10R0.78 C=CCNC(=O)CNC(=O)C 527a_100020586998_100000194580 [0,1,0,0,0,0|2,0,1]=4 1004 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,1,0,0,0,0|2,0,1]=4 1005 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,1,0,0,0,0|2,0,1]=4 1006 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,1,0,0,0,0|2,0,1]=4 1007 B10R0.78 C=CCNC(=O)CSC(=O)C 1626a_100020586998_100000049016 [0,1,0,0,0,0|2,0,1]=4 1008 B10R0.78 C=CCNC(=O)CSC(=O)C 240690a_100020586998_100000049016 [0,1,0,0,0,0|2,0,1]=4 1009 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [0,1,0,0,0,0|1,0,1]=3 1010 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [0,1,0,0,0,0|1,0,1]=3 1011 B10R0.78 CC#CCC(=O)CCC(=O)N 1458a_100011215257_100000748600 [0,1,0,0,0,0|2,0,1]=4 1012 B10R0.78 CC#CCC(=O)CNC(=O)C 1458a_100000194580_100000748600 [0,1,0,0,0,0|2,0,1]=4 1013 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [0,1,0,0,0,0|2,0,1]=4 1014 B10R0.78 CC#CCC(=O)CSC(=O)C 1458a_100000049016_100000748600 [0,1,0,0,0,0|2,0,1]=4 1015 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,1,0,0,0,0|2,0,1]=4 1016 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,1,0,0,0,0|2,0,1]=4 1017 B10R0.78 CC(=CCC(=O)NCCF)C 11a_100000724931_100011220947 [0,1,0,0,0,0|2,0,1]=4 1018 B10R0.78 CC(=CCC(=O)NCCF)C 1626a_100000724931_100011220947 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.78 CC(=CCC(=O)NCCF)C 240690a_100000724931_100011220947 [0,1,0,0,0,0|2,0,1]=4 1020 B10R0.78 CC(=CCC(=O)NCCF)C 527a_100000724931_100011220947 [0,1,0,0,0,0|2,0,1]=4 1021 B10R0.78 CC(=CCC(=O)NCCO)C 240690a_100000210304_100011220947 [0,1,0,0,0,0|2,0,1]=4 1022 B10R0.78 CC(=CCC(=O)NCCO)C 527a_100000210304_100011220947 [0,1,0,0,0,0|2,0,1]=4 1023 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,1,0,0,0,0|3,0,0]=4 1024 B10R0.78 CC(=O)NCC(=O)CCC#N 1458a_100000194580_100011215226 [0,1,0,0,0,0|2,0,1]=4 1025 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,1,0,0,0,0|2,0,0]=3 1026 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,1,0,0,0,0|2,0,0]=3 1027 B10R0.78 CC(=O)NCC(=O)NCC#N 1626a_100000734998_100000194580 [0,1,0,0,0,0|2,0,1]=4 1028 B10R0.78 CC(=O)NCC(=O)NCC#N 527a_100000734998_100000194580 [0,1,0,0,0,0|2,0,1]=4 1029 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000724931_100000194580 [0,1,0,0,0,0|2,0,0]=3 1030 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000725713_100015343762 [0,1,0,0,0,0|2,0,0]=3 1031 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000724931_100000194580 [0,1,0,0,0,0|2,0,0]=3 1032 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000725713_100015343762 [0,1,0,0,0,0|2,0,0]=3 1033 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000724931_100000194580 [0,1,0,0,0,0|2,0,0]=3 1034 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000725713_100015343762 [0,1,0,0,0,0|2,0,0]=3 1035 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000724931_100000194580 [0,1,0,0,0,0|2,0,0]=3 1036 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000725713_100103153847 [0,1,0,0,0,0|2,0,0]=3 1037 B10R0.78 CC(=O)NCC(=O)NCCO 240690a_100000210304_100000194580 [0,1,0,0,0,0|2,0,0]=3 1038 B10R0.78 CC(=O)NCC(=O)NCCO 527a_100000210304_100000194580 [0,1,0,0,0,0|2,0,0]=3 1039 B10R0.78 CC(=O)NNC(=O)NCCF 273464a_100000724931_100000189765 [0,1,0,0,0,0|3,0,0]=4 1040 B10R0.78 CC(=O)NNC(=O)NCCF 512a_100000189765_100000724931 [0,1,0,0,0,0|3,0,0]=4 1041 B10R0.78 CC(=O)NNC(=O)NCCO 273464a_100000210304_100000189765 [0,1,0,0,0,0|3,0,0]=4 1042 B10R0.78 CC(=O)NNC(=O)NCCO 512a_100000189765_100000210304 [0,1,0,0,0,0|3,0,0]=4 1043 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [0,1,0,0,0,0|2,0,1]=4 1044 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,1,0,0,0,0|2,0,0]=3 1045 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,1,0,0,0,0|2,0,0]=3 1046 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100000036994_100015361967 [0,1,0,0,0,0|2,1,0]=4 1047 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100015361967_100000036994 [0,1,0,0,0,0|2,1,0]=4 1048 B10R0.78 CC(=O)OCC(=O)NCC#N 1626a_100000734998_100000183556 [0,1,0,0,0,0|2,0,1]=4 1049 B10R0.78 CC(=O)OCC(=O)NCC#N 527a_100000734998_100000183556 [0,1,0,0,0,0|2,0,1]=4 1050 B10R0.78 CC(=O)OCC(=O)NCCF 1626a_100000724931_100000183556 [0,1,0,0,0,0|2,0,0]=3 1051 B10R0.78 CC(=O)OCC(=O)NCCF 240690a_100000724931_100000183556 [0,1,0,0,0,0|2,0,0]=3 1052 B10R0.78 CC(=O)OCC(=O)NCCF 527a_100000724931_100000183556 [0,1,0,0,0,0|2,0,0]=3 1053 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [0,1,0,0,0,0|2,0,0]=3 1054 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [0,1,0,0,0,0|2,0,0]=3 1055 B10R0.78 CC(=O)SCC(=O)CCC#N 1458a_100000049016_100011215226 [0,1,0,0,0,0|2,0,1]=4 1056 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,1,0,0,0,0|2,0,0]=3 1057 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,1,0,0,0,0|2,0,0]=3 1058 B10R0.78 CC(=O)SCC(=O)NCC#N 1626a_100000734998_100000049016 [0,1,0,0,0,0|2,0,1]=4 1059 B10R0.78 CC(=O)SCC(=O)NCCF 11a_100000724931_100000049016 [0,1,0,0,0,0|2,0,0]=3 1060 B10R0.78 CC(=O)SCC(=O)NCCF 1626a_100000724931_100000049016 [0,1,0,0,0,0|2,0,0]=3 1061 B10R0.78 CC(=O)SCC(=O)NCCF 240690a_100000724931_100000049016 [0,1,0,0,0,0|2,0,0]=3 1062 B10R0.78 CC(=O)SCC(=O)NCCO 240690a_100000210304_100000049016 [0,1,0,0,0,0|2,0,0]=3 1063 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,1,0,0,0,0|2,0,1]=4 1064 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,1,0,0,0,0|2,0,1]=4 1065 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,1,0,0,0,0|2,0,1]=4 1066 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,1,0,0,0,0|2,0,1]=4 1067 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,1,0,0,0,0|2,0,1]=4 1068 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,1,0,0,0,0|2,0,1]=4 1069 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,1,0,0,0,0|2,0,1]=4 1070 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,1,0,0,0,0|1,0,2]=4 1072 B10R0.78 CC=CCC(=O)CCC(=O)N 1458a_100011215257_100000070051 [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [0,1,0,0,0,0|2,0,1]=4 1074 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,1,0,0,0,0|2,0,1]=4 1075 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.78 CCC#CC(=O)CC=C(C)C 1458a_100011827653_100000761012 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,1,0,0,0,0|2,0,1]=4 1078 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,1,0,0,0,0|1,0,2]=4 1079 B10R0.78 CCC#CC(=O)NNC(=O)C 22a_100000189765_100011827653 [0,1,0,0,0,0|3,0,0]=4 1080 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,1,0,0,0,0|2,0,1]=4 1081 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,1,0,0,0,0|2,0,1]=4 1082 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,1,0,0,0,0|1,0,2]=4 1083 B10R0.78 CCC=CC(=O)NCC(=O)N 11a_100000711301_100000212282 [0,1,0,0,0,0|3,0,0]=4 1084 B10R0.78 CCC=CC(=O)NCC(=O)N 240690a_100000711301_100000212282 [0,1,0,0,0,0|3,0,0]=4 1085 B10R0.78 CCC=CC(=O)NNC(=O)C 22a_100000189765_100000212282 [0,1,0,0,0,0|3,0,0]=4 1086 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,1,0,0,0,0|2,0,1]=4 1087 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,1,0,0,0,0|2,0,1]=4 1088 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,1,0,0,0,0|2,0,0]=3 1089 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,1,0,0,0,0|2,0,1]=4 1090 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,1,0,0,0,0|2,0,1]=4 1091 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,1,0,0,0,0|1,0,2]=4 1092 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [0,1,0,0,0,0|3,0,0]=4 1093 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,1,0,0,0,0|3,0,0]=4 1094 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,1,0,0,0,0|2,0,0]=3 1095 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,1,0,0,0,0|3,0,0]=4 1096 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,1,0,0,0,0|2,0,0]=3 1097 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,1,0,0,0,0|2,0,0]=3 1098 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,1,0,0,0,0|3,0,0]=4 1099 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,1,0,0,0,0|3,0,0]=4 1100 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,1,0,0,0,0|3,0,0]=4 1101 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,1,0,0,0,0|3,0,0]=4 1102 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,1,0,0,0,0|3,0,0]=4 1103 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,0,0,0,0|2,0,1]=4 1104 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,0,0,0,0|2,0,1]=4 1105 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,1,0,0,0,0|3,0,0]=4 1106 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,1,0,0,0,0|2,0,1]=4 1107 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,1,0,0,0,0|2,0,1]=4 1108 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,1,0,0,0,0|2,0,1]=4 1109 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,1,0,0,0,0|2,0,1]=4 1110 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,1,0,0,0,0|1,0,0]=2 1111 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,1,0,0,0,0|2,0,0]=3 1112 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,1,0,0,0,0|2,0,0]=3 1113 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,1,0,0,0,0|1,0,0]=2 1114 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 1115 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 1116 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 1117 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 1118 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,1,0,0,0,0|1,0,2]=4 1119 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [0,1,0,0,0,0|3,0,0]=4 1120 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [0,1,0,0,0,0|3,0,0]=4 1121 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [0,1,0,0,0,0|3,0,0]=4 1122 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 11a_100020643023_200000064761 [0,1,0,0,0,0|3,0,0]=4 1123 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 1626a_100020643023_200000064761 [0,1,0,0,0,0|3,0,0]=4 1124 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 240690a_100020643023_200000064761 [0,1,0,0,0,0|3,0,0]=4 1125 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [0,1,0,0,0,0|3,0,0]=4 1126 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [0,1,0,0,0,0|3,0,0]=4 1127 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [0,1,0,0,0,0|3,0,0]=4 1128 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,1,0,0,0,0|2,0,0]=3 1129 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1130 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,1,0,0,0,0|2,0,0]=3 1131 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1132 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,1,0,0,0,0|2,0,0]=3 1133 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1134 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,1,0,0,0,0|2,0,0]=3 1135 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1136 B10R0.78 CCCNC(=O)CNC(=O)N 240690a_100020643023_100000184981 [0,1,0,0,0,0|3,0,0]=4 1137 B10R0.78 CCCNC(=O)CNC(=O)N 527a_100020643023_100000184981 [0,1,0,0,0,0|3,0,0]=4 1138 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,1,0,0,0,0|2,0,0]=3 1139 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,1,0,0,0,0|2,0,0]=3 1140 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,1,0,0,0,0|2,0,0]=3 1141 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,1,0,0,0,0|2,0,0]=3 1142 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,1,0,0,0,0|2,0,0]=3 1143 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,1,0,0,0,0|2,0,0]=3 1144 B10R0.78 CCCNC(=O)CSC(=O)N 240690a_100020643023_200015941356 [0,1,0,0,0,0|3,0,0]=4 1145 B10R0.78 CCCNC(=O)NCC(=O)N 2708a_100020643023_100000711301 [0,1,0,0,0,0|3,0,0]=4 1146 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100000711301_100020643023 [0,1,0,0,0,0|3,0,0]=4 1147 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100020643023_100000711301 [0,1,0,0,0,0|3,0,0]=4 1148 B10R0.78 CCCNC(=O)NCC(=O)N 512a_100020643023_100000711301 [0,1,0,0,0,0|3,0,0]=4 1149 B10R0.78 CCCNC(=O)NNC(=O)C 273464a_100020643023_100000189765 [0,1,0,0,0,0|3,0,0]=4 1150 B10R0.78 CCCNC(=O)NNC(=O)C 512a_100000189765_100020643023 [0,1,0,0,0,0|3,0,0]=4 1151 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,1,0,0,0,0|2,0,1]=4 1152 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,1,0,0,0,0|2,0,1]=4 1153 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,1,0,0,0,0|2,0,1]=4 1155 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,1,0,0,0,0|2,0,1]=4 1156 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,1,0,0,0,0|1,0,0]=2 1157 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,1,0,0,0,0|3,0,0]=4 1158 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1159 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1160 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1161 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,1,0,0,0,0|2,0,1]=4 1162 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,1,0,0,0,0|3,0,0]=4 1163 B10R0.78 CCNCC(=O)NNC(=O)C 2230a_100015525214_100000181415 [0,1,0,0,0,0|3,0,0]=4 1164 B10R0.78 CCNN=C(C)COC(=O)C 4a_100000756455_100000000629 [0,1,0,0,0,0|3,0,0]=4 1165 B10R0.78 CCNNC(=O)CC=C(C)C 22a_100000756455_100011220947 [0,1,0,0,0,0|2,0,1]=4 1166 B10R0.78 CCNNC(=O)CCC(=O)N 22a_100000756455_100011215257 [0,1,0,0,0,0|2,0,0]=3 1167 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,1,0,0,0,0|2,0,1]=4 1168 B10R0.78 CCNNC(=O)CCN(C)C 22a_100000756455_100000689311 [0,1,0,0,0,0|3,0,0]=4 1169 B10R0.78 CCNNC(=O)CC[S+](C)C 22a_100000756455_100009452791 [0,1,0,0,0,0|3,0,0]=4 1170 B10R0.78 CCNNC(=O)CNC(=O)C 22a_100000756455_100000194580 [0,1,0,0,0,0|2,0,0]=3 1171 B10R0.78 CCNNC(=O)CNC(=O)N 22a_100000756455_100000184981 [0,1,0,0,0,0|3,0,0]=4 1172 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [0,1,0,0,0,0|2,0,0]=3 1173 B10R0.78 CCNNC(=O)NCC(=O)N 273464a_100000711301_100000756455 [0,1,0,0,0,0|3,0,0]=4 1174 B10R0.78 CCNNC(=O)NCC(=O)N 512a_100000756455_100000711301 [0,1,0,0,0,0|3,0,0]=4 1175 B10R0.78 CCNNC(=O)NNC(=O)C 512a_100000189765_100000756455 [0,1,0,0,0,0|3,0,0]=4 1176 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,1,0,0,0,0|1,0,1]=3 1177 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,1,0,0,0,0|1,0,1]=3 1178 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,1,0,0,0,0|0,0,2]=3 1179 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,0|1,0,0]=2 1180 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [0,1,0,0,0,0|2,0,0]=3 1181 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [0,1,0,0,0,0|2,0,0]=3 1182 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [0,1,0,0,0,0|2,0,0]=3 1183 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,1,0,0,0,0|2,0,1]=4 1185 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,1,0,0,0,0|2,0,1]=4 1186 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,1,0,0,0,0|2,0,1]=4 1187 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,1,0,0,0,0|2,0,1]=4 1188 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,1,0,0,0,0|1,0,2]=4 1189 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,1,0,0,0,0|1,0,2]=4 1190 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,1,0,0,0,0|1,0,2]=4 1191 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [0,1,0,0,0,0|2,0,0]=3 1192 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [0,1,0,0,0,0|2,0,0]=3 1193 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,1,0,0,0,0|2,0,1]=4 1194 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,1,0,0,0,0|1,0,2]=4 1195 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,1,0,0,0,0|1,0,2]=4 1196 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,1,0,0,0,0|1,0,2]=4 1197 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,1,0,0,0,0|1,1,1]=4 1198 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,1,0,0,0,0|1,1,1]=4 1199 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,1,0,0,0,0|0,1,2]=4 1200 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,1,0,0,0,0|1,1,0]=3 1201 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,1,0,0,0,0|1,1,0]=3 1202 B10R0.78 CCSCC(=O)NCC(=O)N 11a_100000711301_100000230394 [0,1,0,0,0,0|2,1,0]=4 1203 B10R0.78 CCSCC(=O)NCC(=O)N 240690a_100000711301_100000230394 [0,1,0,0,0,0|2,1,0]=4 1204 B10R0.78 CCSCC(=O)NCC(=O)N 527a_100000711301_100000230394 [0,1,0,0,0,0|2,1,0]=4 1205 B10R0.78 CCSCC(=O)NNC(=O)C 22a_100000189765_100000230394 [0,1,0,0,0,0|2,1,0]=4 1206 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000181415_100000210202 [0,1,0,0,0,0|2,1,0]=4 1207 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000210202_100000181415 [0,1,0,0,0,0|2,1,0]=4 1208 B10R0.78 CN(C)CCC(=O)NCCF 11a_100000724931_100000689311 [0,1,0,0,0,0|3,0,0]=4 1209 B10R0.78 CN(C)CCC(=O)NCCF 240690a_100000724931_100000689311 [0,1,0,0,0,0|3,0,0]=4 1210 B10R0.78 CN(C)CCC(=O)NCCF 527a_100000724931_100000689311 [0,1,0,0,0,0|3,0,0]=4 1211 B10R0.78 CN(C)CCC(=O)NCCO 240690a_100000210304_100000689311 [0,1,0,0,0,0|3,0,0]=4 1212 B10R0.78 CN(C)CCC(=O)NCCO 527a_100000210304_100000689311 [0,1,0,0,0,0|3,0,0]=4 1213 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,1,0,0,0,0|3,0,0]=4 1214 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,1,0,0,0,0|2,0,0]=3 1217 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,1,0,0,0,0|2,0,1]=4 1218 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,1,0,0,0,0|2,0,1]=4 1219 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,1,0,0,0,0|1,0,2]=4 1220 B10R0.78 COCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000233755 [0,1,0,0,0,0|3,0,0]=4 1221 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,1,0,0,0,0|3,0,0]=4 1222 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,1,0,0,0,0|2,0,0]=3 1223 B10R0.78 COCCC(=O)CNC(=O)N 1458a_100000184981_100000233755 [0,1,0,0,0,0|3,0,0]=4 1224 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,1,0,0,0,0|2,0,0]=3 1225 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,1,0,0,0,0|2,0,0]=3 1226 B10R0.78 COCCC(=O)NCC(=O)N 11a_100000711301_100000749529 [0,1,0,0,0,0|3,0,0]=4 1227 B10R0.78 COCCC(=O)NCC(=O)N 240690a_100000711301_100000749529 [0,1,0,0,0,0|3,0,0]=4 1228 B10R0.78 COCCC(=O)NCC(=O)N 527a_100000711301_100000749529 [0,1,0,0,0,0|3,0,0]=4 1229 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [0,1,0,0,0,0|3,0,0]=4 1230 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [0,1,0,0,0,0|3,0,0]=4 1231 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,1,0,0,0,0|3,0,0]=4 1232 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,1,0,0,0,0|3,0,0]=4 1233 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,1,0,0,0,0|3,0,0]=4 1234 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,1,0,0,0,0|2,0,1]=4 1235 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,1,0,0,0,0|2,0,1]=4 1236 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,1,0,0,0,0|2,0,0]=3 1237 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,1,0,0,0,0|2,0,1]=4 1238 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,1,0,0,0,0|2,0,1]=4 1239 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,1,0,0,0,0|1,0,2]=4 1240 B10R0.78 CSCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000751147 [0,1,0,0,0,0|3,0,0]=4 1241 B10R0.78 CSCCC(=O)CC[S+](C)C 1458a_100009452791_100000751147 [0,1,0,0,0,0|3,0,0]=4 1242 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,1,0,0,0,0|2,0,0]=3 1243 B10R0.78 CSCCC(=O)CNC(=O)N 1458a_100000184981_100000751147 [0,1,0,0,0,0|3,0,0]=4 1244 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,1,0,0,0,0|2,0,0]=3 1245 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,1,0,0,0,0|2,0,0]=3 1246 B10R0.78 CSCCC(=O)NCC(=O)N 11a_100000711301_100000174002 [0,1,0,0,0,0|3,0,0]=4 1247 B10R0.78 CSCCC(=O)NCC(=O)N 240690a_100000711301_100000174002 [0,1,0,0,0,0|3,0,0]=4 1248 B10R0.78 CSCCC(=O)NCC(=O)N 527a_100000711301_100000174002 [0,1,0,0,0,0|3,0,0]=4 1249 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,1,0,0,0,0|3,0,0]=4 1250 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,1,0,0,0,0|3,0,0]=4 1251 B10R0.78 C[S+](C)CCC(=O)CCCF 1458a_100009452791_100011934791 [0,1,0,0,0,0|3,0,0]=4 1252 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [0,1,0,0,0,0|3,0,0]=4 1253 B10R0.78 C[S+](C)CCC(=O)NCCF 11a_100000724931_100009452791 [0,1,0,0,0,0|3,0,0]=4 1254 B10R0.78 C[S+](C)CCC(=O)NCCF 1626a_100000724931_100009452791 [0,1,0,0,0,0|3,0,0]=4 1255 B10R0.78 C[S+](C)CCC(=O)NCCF 240690a_100000724931_100009452791 [0,1,0,0,0,0|3,0,0]=4 1256 B10R0.78 C[S+](C)CCC(=O)NCCO 240690a_100000210304_100009452791 [0,1,0,0,0,0|3,0,0]=4 1257 B10R0.78 N#CCCC(=O)CCC(=O)N 1458a_100011215257_100011215226 [0,1,0,0,0,0|2,0,1]=4 1258 B10R0.78 N#CCNC(=O)CCC(=O)N 527a_100000734998_100011215257 [0,1,0,0,0,0|2,0,1]=4 1259 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,1,0,0,0,0|2,0,0]=3 1260 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,1,0,0,0,0|2,0,0]=3 1261 B10R0.78 NC(=O)CCC(=O)NCCF 240690a_100000724931_100011215257 [0,1,0,0,0,0|2,0,0]=3 1262 B10R0.78 NC(=O)CCC(=O)NCCF 527a_100000724931_100011215257 [0,1,0,0,0,0|2,0,0]=3 1263 B10R0.78 NC(=O)CCC(=O)NCCO 240690a_100000210304_100011215257 [0,1,0,0,0,0|2,0,0]=3 1264 B10R0.78 NC(=O)CCC(=O)NCCO 527a_100000210304_100011215257 [0,1,0,0,0,0|2,0,0]=3 1265 B10R0.78 NC(=O)CNC(=O)NCCF 273464a_100000711301_100000724931 [0,1,0,0,0,0|3,0,0]=4 1266 B10R0.78 NC(=O)CNC(=O)NCCF 273464a_100000724931_100000711301 [0,1,0,0,0,0|3,0,0]=4 1267 B10R0.78 NC(=O)CNC(=O)NCCO 273464a_100000210304_100000711301 [0,1,0,0,0,0|3,0,0]=4 1268 B10R0.78 NC(=O)CNC(=O)NCCO 273464a_100000711301_100000210304 [0,1,0,0,0,0|3,0,0]=4 1269 B10R0.78 NC(=O)NCC(=O)CCCF 1458a_100000184981_100011934791 [0,1,0,0,0,0|3,0,0]=4 1270 B10R0.78 NC(=O)NCC(=O)CCCO 1458a_100000184981_100011215043 [0,1,0,0,0,0|3,0,0]=4 1271 B10R0.78 NC(=O)NCC(=O)NCCF 240690a_100000724931_100000184981 [0,1,0,0,0,0|3,0,0]=4 1272 B10R0.78 NC(=O)NCC(=O)NCCF 527a_100000724931_100000184981 [0,1,0,0,0,0|3,0,0]=4 1273 B10R0.78 NC(=O)NCC(=O)NCCO 240690a_100000210304_100000184981 [0,1,0,0,0,0|3,0,0]=4 1274 B10R0.78 NC(=O)NCC(=O)NCCO 527a_100000210304_100000184981 [0,1,0,0,0,0|3,0,0]=4 1275 B10R0.78 NC(=O)SCC(=O)NCCF 240690a_100000724931_200015941356 [0,1,0,0,0,0|3,0,0]=4 1276 B10R0.78 NC(=O)SCC(=O)NCCO 240690a_100000210304_200015941356 [0,1,0,0,0,0|3,0,0]=4 1277 B10R0.78 O=C(CCCF)CC[N+](=O)[O-] 1458a_200000064761_100011934791 [0,1,0,0,0,0|3,0,0]=4 1278 B10R0.78 O=C(CCCO)CC[N+](=O)[O-] 1458a_200000064761_100011215043 [0,1,0,0,0,0|3,0,0]=4 1279 B10R0.78 O=C(CC[N+](=O)[O-])NCCF 11a_100000724931_200000064761 [0,1,0,0,0,0|3,0,0]=4 1280 B10R0.78 O=C(CC[N+](=O)[O-])NCCF 1626a_100000724931_200000064761 [0,1,0,0,0,0|3,0,0]=4 1281 B10R0.78 O=C(CC[N+](=O)[O-])NCCF 240690a_100000724931_200000064761 [0,1,0,0,0,0|3,0,0]=4 1282 B10R0.78 O=C(CC[N+](=O)[O-])NCCO 240690a_100000210304_200000064761 [0,1,0,0,0,0|3,0,0]=4 1283 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,1,0,0,0,0|3,0,0]=4 1284 B10R0.96 C=C(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748629 [0,1,0,0,0,0|2,0,1]=4 1285 B10R0.96 C=C(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748629 [0,1,0,0,0,0|2,0,1]=4 1286 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,1,0,0,0,0|2,0,1]=4 1287 B10R0.96 C=C(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748629 [0,1,0,0,0,0|2,0,1]=4 1288 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,1,0,0,0,0|2,0,1]=4 1289 B10R0.96 C=C(C)CCC(=O)C=C(C)Cl 1458a_200042562850_100000730704 [0,1,0,0,0,0|2,0,1]=4 1290 B10R0.96 C=C(C)CCC(=O)C=C(C)I 1458a_100025716642_100000730704 [0,1,0,0,0,0|2,0,1]=4 1291 B10R0.96 C=C(C)CCC(=O)CC(=C)C 1458a_200000688413_100000748629 [0,1,0,0,0,0|2,0,1]=4 1292 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,0,0|2,0,0]=3 1293 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,0,0|2,0,0]=3 1294 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,1,0,0,0,0|2,0,0]=3 1295 B10R0.96 C=C(C)CCC(=O)CC(F)F 1458a_200000688413_100011934356 [0,1,0,0,0,0|3,0,0]=4 1296 B10R0.96 C=C(C)CCC(=O)CN(C)C 1458a_100000750896_100000730704 [0,1,0,0,0,0|3,0,0]=4 1297 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,1,0,0,0,0|2,0,0]=3 1298 B10R0.96 C=C(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000730704 [0,1,0,0,0,0|3,0,0]=4 1299 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,1,0,0,0,0|2,0,0]=3 1300 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,1,0,0,0,0|2,0,0]=3 1301 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,1,0,0,0,0|2,0,0]=3 1302 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,1,0,0,0,0|2,0,0]=3 1303 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [0,1,0,0,0,0|3,0,0]=4 1304 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [0,1,0,0,0,0|3,0,0]=4 1305 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [0,1,0,0,0,0|3,0,0]=4 1306 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [0,1,0,0,0,0|3,0,0]=4 1307 B10R0.96 C=C(C)CNC(=O)C[C@@H](C)O 240690a_100000765925_100011933948 [0,1,0,0,0,0|3,0,0]=4 1308 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100000765925_100138425928 [0,1,0,0,0,0|3,0,0]=4 1309 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100138425928_100000765925 [0,1,0,0,0,0|3,0,0]=4 1310 B10R0.96 C=C(C)CNC(=O)NC(C)C 273464a_100138425928_100000765925 [0,1,0,0,0,0|3,0,0]=4 1311 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100000765925_100138425928 [0,1,0,0,0,0|3,0,0]=4 1312 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100138425928_100000765925 [0,1,0,0,0,0|3,0,0]=4 1313 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,0,0|2,0,1]=4 1314 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,0,0|2,0,1]=4 1315 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,0,0|2,0,1]=4 1316 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,0,0|2,0,1]=4 1317 B10R0.96 CC(=CCC(=O)NC(C)C)C 11a_100138425928_100011220947 [0,1,0,0,0,0|2,0,1]=4 1318 B10R0.96 CC(=CCC(=O)NC(C)C)C 1626a_100138425928_100011220947 [0,1,0,0,0,0|2,0,1]=4 1319 B10R0.96 CC(=CCC(=O)NC(C)C)C 240690a_100138425928_100011220947 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.96 CC(=CCC(=O)NC(C)C)C 527a_100138425928_100011220947 [0,1,0,0,0,0|2,0,1]=4 1321 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,0,0|1,0,0]=2 1322 B10R0.96 CC(=O)CCC(=O)NN(C)C 1458a_100011219620_200000210301 [0,1,0,0,0,0|2,0,0]=3 1323 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,0|0,0,0]=1 1324 B10R0.96 CC(=O)CCN(C)CC(C)C 269982a_100000747067_100000053229 [0,1,0,0,0,0|3,0,0]=4 1325 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,1,0,0,0,0|3,0,0]=4 1326 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,1,0,0,0,0|2,0,0]=3 1327 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,0|1,0,0]=2 1328 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,0,0,0,0|2,0,0]=3 1329 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,1,0,0,0,0|2,0,0]=3 1330 B10R0.96 CC(=O)NCC(=O)CC(F)F 1458a_100000194580_100011934356 [0,1,0,0,0,0|3,0,0]=4 1331 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,1,0,0,0,0|2,0,0]=3 1332 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,1,0,0,0,0|2,0,0]=3 1333 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,1,0,0,0,0|2,0,0]=3 1334 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,1,0,0,0,0|2,0,0]=3 1335 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,1,0,0,0,0|2,0,0]=3 1336 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,1,0,0,0,0|2,0,0]=3 1337 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,1,0,0,0,0|2,0,0]=3 1338 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,1,0,0,0,0|2,0,0]=3 1339 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189765_100000210554 [0,1,0,0,0,0|3,0,0]=4 1340 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189787_100000070787 [0,1,0,0,0,0|3,0,0]=4 1341 B10R0.96 CC(=O)NNC(=O)C[C@@H](C)O 22a_100000189765_100011933948 [0,1,0,0,0,0|3,0,0]=4 1342 B10R0.96 CC(=O)NNC(=O)NC(C)C 273464a_100138425928_100000189765 [0,1,0,0,0,0|3,0,0]=4 1343 B10R0.96 CC(=O)NNC(=O)NC(C)C 512a_100000189765_100138425928 [0,1,0,0,0,0|3,0,0]=4 1344 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,0,0|2,0,0]=3 1345 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,0,0,0,0|2,0,0]=3 1346 B10R0.96 CC(=O)OCC(=O)CC(F)F 1458a_100000183556_100011934356 [0,1,0,0,0,0|3,0,0]=4 1347 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,1,0,0,0,0|3,0,0]=4 1348 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,1,0,0,0,0|2,0,0]=3 1349 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,1,0,0,0,0|2,0,0]=3 1350 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,1,0,0,0,0|2,0,0]=3 1351 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,0,0,0,0|2,0,0]=3 1352 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,1,0,0,0,0|2,0,0]=3 1353 B10R0.96 CC(=O)SCC(=O)CC(F)F 1458a_100000049016_100011934356 [0,1,0,0,0,0|3,0,0]=4 1354 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,1,0,0,0,0|2,0,0]=3 1355 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,1,0,0,0,0|2,0,0]=3 1356 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,1,0,0,0,0|2,0,0]=3 1357 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,1,0,0,0,0|2,0,0]=3 1358 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,0|1,0,2]=4 1359 B10R0.96 CC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210624 [0,1,0,0,0,0|3,0,0]=4 1360 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,1,0,0,0,0|3,0,0]=4 1361 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,1,0,0,0,0|3,0,0]=4 1362 B10R0.96 CC(C)CC(=O)NCC(=O)N 11a_100000711301_100000210554 [0,1,0,0,0,0|3,0,0]=4 1363 B10R0.96 CC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000210554 [0,1,0,0,0,0|3,0,0]=4 1364 B10R0.96 CC(C)CC(=O)NCC(=O)N 527a_100000711301_100000210554 [0,1,0,0,0,0|3,0,0]=4 1365 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,1,0,0,0,0|2,0,0]=3 1366 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,0,0|2,0,1]=4 1367 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,0,0|2,0,1]=4 1368 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,0|2,0,1]=4 1369 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,0|2,0,1]=4 1370 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,0,0|2,0,1]=4 1371 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,0,0|2,0,1]=4 1372 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,0,0|2,0,1]=4 1373 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,0,0|2,0,1]=4 1374 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,1,0,0,0,0|2,0,0]=3 1375 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,1,0,0,0,0|2,0,0]=3 1376 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [0,1,0,0,0,0|3,0,0]=4 1377 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [0,1,0,0,0,0|3,0,0]=4 1378 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [0,1,0,0,0,0|3,0,0]=4 1379 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [0,1,0,0,0,0|3,0,0]=4 1380 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [0,1,0,0,0,0|3,0,0]=4 1381 B10R0.96 CC(C)NC(=O)CC[N+](=O)[O-] 11a_100138425928_200000064761 [0,1,0,0,0,0|3,0,0]=4 1382 B10R0.96 CC(C)NC(=O)CC[N+](=O)[O-] 1626a_100138425928_200000064761 [0,1,0,0,0,0|3,0,0]=4 1383 B10R0.96 CC(C)NC(=O)CC[N+](=O)[O-] 240690a_100138425928_200000064761 [0,1,0,0,0,0|3,0,0]=4 1384 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [0,1,0,0,0,0|3,0,0]=4 1385 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [0,1,0,0,0,0|3,0,0]=4 1386 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [0,1,0,0,0,0|3,0,0]=4 1387 B10R0.96 CC(C)NC(=O)CNC(=O)N 240690a_100138425928_100000184981 [0,1,0,0,0,0|3,0,0]=4 1388 B10R0.96 CC(C)NC(=O)CNC(=O)N 527a_100138425928_100000184981 [0,1,0,0,0,0|3,0,0]=4 1389 B10R0.96 CC(C)NC(=O)CSC(=O)N 240690a_100138425928_200015941356 [0,1,0,0,0,0|3,0,0]=4 1390 B10R0.96 CC(C)NC(=O)NCC(=O)N 2708a_100138425928_100000711301 [0,1,0,0,0,0|3,0,0]=4 1391 B10R0.96 CC(C)NC(=O)NCC(=O)N 273464a_100138425928_100000711301 [0,1,0,0,0,0|3,0,0]=4 1392 B10R0.96 CC(C)NC(=O)NCC(=O)N 512a_100138425928_100000711301 [0,1,0,0,0,0|3,0,0]=4 1393 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,1,0,0,0,0|2,0,1]=4 1394 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,1,0,0,0,0|2,0,1]=4 1395 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,1,0,0,0,0|2,0,0]=3 1396 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,1,0,0,0,0|2,0,0]=3 1397 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,1,0,0,0,0|2,0,1]=4 1398 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,1,0,0,0,0|2,0,1]=4 1399 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,1,0,0,0,0|3,0,0]=4 1400 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,1,0,0,0,0|2,0,1]=4 1401 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,1,0,0,0,0|2,0,0]=3 1402 B10R0.96 CC(O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011218427 [0,1,0,0,0,0|3,0,0]=4 1403 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,1,0,0,0,0|3,0,0]=4 1404 B10R0.96 CC(O)CC(=O)CNC(=O)N 1458a_100000184981_100011218427 [0,1,0,0,0,0|3,0,0]=4 1405 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,0|1,0,2]=4 1406 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,0|1,0,2]=4 1407 B10R0.96 CN(C)NC(=O)CCC(=O)[13CH3] 1458a_100011219620_200025704644 [0,1,0,0,0,0|2,0,0]=3 1408 B10R0.96 C[C@@H](O)CC(=O)NCC(=O)N 240690a_100000711301_100011933948 [0,1,0,0,0,0|3,0,0]=4 1409 B10R0.96 NC(=O)CCC(=O)CC(F)F 1458a_100011215257_100011934356 [0,1,0,0,0,0|3,0,0]=4 1410 B10R0.108 C#CC(=O)COC(=O)CCC 1458a_100000211873_100000034017 [0,1,0,0,0,0|2,0,1]=4 1411 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,1,0,0,0,0|2,0,1]=4 1412 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,1,0,0,0,0|2,0,1]=4 1413 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,1,0,0,0,0|2,0,1]=4 1414 B10R0.108 C#CCC(=O)CCC(=O)NC 1458a_100011309844_100000184674 [0,1,0,0,0,0|1,0,2]=4 1415 B10R0.108 C#CCC(=O)CCC(=O)OC 1458a_100000187943_100000184674 [0,1,0,0,0,0|1,0,2]=4 1416 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,1,0,0,0,0|2,0,1]=4 1417 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,1,0,0,0,0|2,0,1]=4 1418 B10R0.108 C=CC(=O)COC(=O)CCC 1458a_100000185746_100000034017 [0,1,0,0,0,0|2,0,1]=4 1419 B10R0.108 C=CC(=O)NCC(=O)CCC 1458a_200011222540_100000210303 [0,1,0,0,0,0|2,0,1]=4 1420 B10R0.108 C=CC(=O)NCC(=O)NCC 11a_100015525214_200011222540 [0,1,0,0,0,0|2,0,1]=4 1421 B10R0.108 C=CC(=O)NCC(=O)NCC 1626a_100016988866_100000185746 [0,1,0,0,0,0|2,0,1]=4 1422 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100015525214_200011222540 [0,1,0,0,0,0|2,0,1]=4 1423 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100016988866_200121576911 [0,1,0,0,0,0|2,0,1]=4 1424 B10R0.108 C=CC(=O)NCC(=O)NCC 527a_100015525214_200011222540 [0,1,0,0,0,0|2,0,1]=4 1425 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,1,0,0,0,0|2,0,1]=4 1426 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,1,0,0,0,0|2,0,1]=4 1427 B10R0.108 C=CCC(=O)CCC(=O)NC 1458a_100011309844_100000210623 [0,1,0,0,0,0|1,0,2]=4 1428 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,1,0,0,0,0|1,0,2]=4 1429 B10R0.108 CC=CC(=O)NCC(=O)NC 11a_100000693194_100000210699 [0,1,0,0,0,0|2,0,1]=4 1430 B10R0.108 CC=CC(=O)NCC(=O)NC 240690a_100000693194_100000210699 [0,1,0,0,0,0|2,0,1]=4 1431 B10R0.108 CC=CC(=O)NCC(=O)OC 188690a_100000185156_100000210699 [0,1,0,0,0,0|2,0,1]=4 1432 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [0,1,0,0,0,0|3,0,0]=4 1433 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,1,0,0,0,0|3,0,0]=4 1434 B10R0.108 CCC(=O)NCC(=O)NNC 22a_100016993582_100000194589 [0,1,0,0,0,0|3,0,0]=4 1435 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,1,0,0,0,0|1,0,2]=4 1436 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,1,0,0,0,0|1,0,0]=2 1437 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,0|1,0,0]=2 1438 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,0|2,0,1]=4 1439 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,1,0,0,0,0|3,0,0]=4 1440 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,1,0,0,0,0|2,0,0]=3 1441 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,1,0,0,0,0|2,0,0]=3 1442 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,1,0,0,0,0|2,0,0]=3 1443 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,1,0,0,0,0|2,0,0]=3 1444 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,1,0,0,0,0|2,0,0]=3 1445 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,1,0,0,0,0|2,0,0]=3 1446 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,1,0,0,0,0|2,0,0]=3 1447 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,1,0,0,0,0|3,0,0]=4 1448 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,1,0,0,0,0|3,0,0]=4 1449 B10R0.108 CCCC(=O)NNC(=O)CO 22a_100000189770_100000210174 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.108 CCCC(=O)NNC(=O)NC 273464a_100102657272_100000189770 [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.108 CCCC(=O)NNC(=O)NC 512a_100000189770_100102657272 [0,1,0,0,0,0|3,0,0]=4 1452 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,1,0,0,0,0|2,0,0]=3 1453 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,1,0,0,0,0|2,0,0]=3 1454 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,1,0,0,0,0|3,0,0]=4 1458 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,1,0,0,0,0|1,0,0]=2 1462 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,1,0,0,0,0|1,0,0]=2 1463 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,1,0,0,0,0|1,0,0]=2 1464 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,1,0,0,0,0|1,0,0]=2 1465 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,1,0,0,0,0|1,0,0]=2 1466 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,1,0,0,0,0|1,0,0]=2 1467 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,1,0,0,0,0|1,0,0]=2 1468 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,1,0,0,0,0|1,0,0]=2 1469 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,0|1,0,0]=2 1470 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,0|1,0,0]=2 1471 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,0|1,0,0]=2 1472 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,0,0,0,0|2,0,1]=4 1473 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,0,0,0,0|2,0,1]=4 1474 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,0,0,0,0|2,0,1]=4 1475 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,0|1,0,2]=4 1476 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,1,0,0,0,0|3,0,0]=4 1477 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,1,0,0,0,0|3,0,0]=4 1478 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,1,0,0,0,0|3,0,0]=4 1479 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,1,0,0,0,0|2,0,0]=3 1480 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,1,0,0,0,0|2,0,0]=3 1481 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,1,0,0,0,0|2,0,0]=3 1482 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,1,0,0,0,0|2,0,0]=3 1483 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1484 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1485 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,1,0,0,0,0|2,0,0]=3 1486 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1487 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,1,0,0,0,0|2,0,0]=3 1488 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1489 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [0,1,0,0,0,0|2,0,0]=3 1490 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [0,1,0,0,0,0|2,0,0]=3 1491 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100016988866_106832991635 [0,1,0,0,0,0|2,0,0]=3 1492 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100102657272_100016988866 [0,1,0,0,0,0|2,0,0]=3 1493 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100016988866_100102657272 [0,1,0,0,0,0|2,0,0]=3 1494 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100102657272_100016988866 [0,1,0,0,0,0|2,0,0]=3 1495 B10R0.108 CCNC(=O)CNC(=O)NC 512a_100016988866_100102657272 [0,1,0,0,0,0|2,0,0]=3 1496 B10R0.108 CCNC(=O)CNC(=O)NC 512a_106832991638_100016988866 [0,1,0,0,0,0|2,0,0]=3 1497 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,1,0,0,0,0|2,0,0]=3 1498 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,1,0,0,0,0|2,0,0]=3 1499 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,1,0,0,0,0|2,0,0]=3 1500 B10R0.108 CCNC(=O)NCC(=O)NC 2708a_100015525214_100000693194 [0,1,0,0,0,0|2,0,0]=3 1501 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100000693194_100015525214 [0,1,0,0,0,0|2,0,0]=3 1502 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100015525214_100000693194 [0,1,0,0,0,0|2,0,0]=3 1503 B10R0.108 CCNC(=O)NCC(=O)NC 512a_100015525214_100000693194 [0,1,0,0,0,0|2,0,0]=3 1504 B10R0.108 CCNC(=O)NNC(=O)CC 273464a_100015525214_100000183195 [0,1,0,0,0,0|3,0,0]=4 1505 B10R0.108 CCNC(=O)NNC(=O)CC 512a_100015525214_100000183195 [0,1,0,0,0,0|3,0,0]=4 1506 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,1,0,0,0,0|0,0,2]=3 1507 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,1,0,0,0,0|0,0,2]=3 1508 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,1,0,0,0,0|0,0,2]=3 1509 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,1,0,0,0,0|0,0,2]=3 1510 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,0|0,0,0]=1 1511 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,0|0,0,0]=1 1512 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,0|0,0,0]=1 1513 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,0|0,0,0]=1 1514 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,0|0,0,0]=1 1515 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,0|1,0,1]=3 1516 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,0|1,0,1]=3 1517 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,0|1,0,1]=3 1518 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,0|0,0,2]=3 1519 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,0|0,1,1]=3 1520 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,0|0,1,1]=3 1521 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,0|0,1,1]=3 1522 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,0|0,1,1]=3 1523 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,0|2,0,0]=3 1524 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,0|2,0,0]=3 1525 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,0|2,0,0]=3 1526 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,0|2,0,0]=3 1527 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,0|2,0,0]=3 1528 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,0|2,0,0]=3 1529 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,0|2,0,0]=3 1530 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,0|2,0,0]=3 1531 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,0|1,0,0]=2 1533 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,0|1,0,0]=2 1534 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,1,0,0,0,0|2,0,1]=4 1535 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,0|2,0,1]=4 1536 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,0|1,0,2]=4 1537 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,1,0,0,0,0|2,0,1]=4 1538 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,0|2,0,1]=4 1539 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,0|2,0,1]=4 1540 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,0|2,0,1]=4 1541 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,0|2,0,1]=4 1542 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,1,0,0,0,0|2,0,1]=4 1543 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,1,0,0,0,0|2,0,1]=4 1544 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,0|2,0,1]=4 1545 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,0|2,0,1]=4 1546 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,0|1,0,2]=4 1547 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,0|1,0,2]=4 1548 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,0|1,0,2]=4 1549 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,0|1,0,2]=4 1550 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,0|1,0,2]=4 1551 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,0|1,0,0]=2 1552 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,0|1,0,0]=2 1553 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,0|1,0,0]=2 1554 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,0|1,0,0]=2 1555 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,0|1,0,0]=2 1556 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,0|1,0,0]=2 1557 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [0,1,0,0,0,0|3,0,0]=4 1558 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,1,0,0,0,0|3,0,0]=4 1559 B10R0.108 CNC(=O)CCC(=O)CC#N 1458a_100011309844_100011214920 [0,1,0,0,0,0|2,0,1]=4 1560 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,1,0,0,0,0|2,0,0]=3 1561 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,1,0,0,0,0|2,0,0]=3 1562 B10R0.108 CNC(=O)CNC(=O)CCO 240690a_100000693194_100011216618 [0,1,0,0,0,0|3,0,0]=4 1563 B10R0.108 CNC(=O)CNC(=O)COC 11a_100000693194_100000210968 [0,1,0,0,0,0|3,0,0]=4 1564 B10R0.108 CNC(=O)CNC(=O)COC 240690a_100000693194_100000210968 [0,1,0,0,0,0|3,0,0]=4 1565 B10R0.108 CNC(=O)CNC(=O)COC 527a_100000693194_100000210968 [0,1,0,0,0,0|3,0,0]=4 1566 B10R0.108 CNC(=O)CNC(=O)CSC 11a_100000693194_100000184570 [0,1,0,0,0,0|3,0,0]=4 1567 B10R0.108 CNC(=O)CNC(=O)CSC 240690a_100000693194_100000184570 [0,1,0,0,0,0|3,0,0]=4 1568 B10R0.108 CNC(=O)CNC(=O)CSC 527a_100000693194_100000184570 [0,1,0,0,0,0|3,0,0]=4 1569 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,1,0,0,0,0|2,0,0]=3 1570 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,1,0,0,0,0|2,0,0]=3 1571 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,1,0,0,0,0|2,0,0]=3 1572 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,1,0,0,0,0|3,0,0]=4 1573 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,1,0,0,0,0|3,0,0]=4 1575 B10R0.108 CNNC(=O)CCC(=O)NC 22a_100016993582_100011309844 [0,1,0,0,0,0|2,0,0]=3 1576 B10R0.108 CNNC(=O)CNC(=O)OC 22a_100016993582_100000215747 [0,1,0,0,0,0|3,0,0]=4 1577 B10R0.108 CNNC(=O)NCC(=O)NC 273464a_100000693194_100016993582 [0,1,0,0,0,0|3,0,0]=4 1578 B10R0.108 CNNC(=O)NCC(=O)NC 512a_100016993582_100000693194 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.108 COC(=O)CCC(=O)CC#N 1458a_100000187943_100011214920 [0,1,0,0,0,0|2,0,1]=4 1580 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,1,0,0,0,0|2,0,0]=3 1581 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,1,0,0,0,0|2,0,0]=3 1582 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,1,0,0,0,0|2,0,0]=3 1583 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,1,0,0,0,0|2,0,0]=3 1584 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,1,0,0,0,0|2,0,0]=3 1585 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,1,0,0,0,0|2,0,0]=3 1586 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,1,0,0,0,0|3,0,0]=4 1587 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,1,0,0,0,0|3,0,0]=4 1588 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,1,0,0,0,0|3,0,0]=4 1589 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,1,0,0,0,0|3,0,0]=4 1590 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,1,0,0,0,0|3,0,0]=4 1591 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,1,0,0,0,0|3,0,0]=4 1592 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,1,0,0,0,0|3,0,0]=4 1593 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,1,0,0,0,0|2,0,0]=3 1594 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,1,0,0,0,0|3,0,0]=4 1595 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,1,0,0,0,0|3,0,0]=4 1596 B10R0.109 CC#CC(=O)CCS(=O)(=O)C 1458a_100000763181_100000731031 [0,1,0,0,0,0|2,0,1]=4 1597 B10R0.109 CC=CC(=O)CCS(=O)(=O)C 1458a_100000210699_100000731031 [0,1,0,0,0,0|2,0,1]=4 1598 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,1,0,0,0,0|2,0,1]=4 1599 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,1,0,0,0,0|2,0,1]=4 1600 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,1,0,0,0,0|2,0,1]=4 1601 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,1,0,0,0,0|2,0,0]=3 1602 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,1,0,0,0,0|2,0,0]=3 1603 B10R0.109 CCCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210303 [0,1,0,0,0,0|3,0,0]=4 1604 B10R0.109 CCCC(=O)CCS(=O)(=O)[O-] 1458a_100000211992_100000762736 [0,1,0,0,0,0|3,0,0]=4 1605 B10R0.109 CCCC(=O)CC[N+](C)(C)C 1458a_100000211992_100000085578 [0,1,0,0,0,0|3,0,0]=4 1606 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100000211992_200000733723 [0,1,0,0,0,0|2,1,0]=4 1607 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210303 [0,1,0,0,0,0|2,1,0]=4 1608 B10R0.109 CCCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210303 [0,1,0,0,0,0|3,0,0]=4 1609 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,1,0,0,0,0|2,0,1]=4 1611 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,1,0,0,0,0|2,0,1]=4 1612 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,1,0,0,0,0|2,0,1]=4 1613 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,1,0,0,0,0|2,0,1]=4 1614 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,1,0,0,0,0|2,0,1]=4 1615 B10R0.109 CCNC(=O)CCS(=O)(=O)C 11a_100015525214_100000737124 [0,1,0,0,0,0|2,0,0]=3 1616 B10R0.109 CCNC(=O)CCS(=O)(=O)C 240690a_100015525214_100000737124 [0,1,0,0,0,0|2,0,0]=3 1617 B10R0.109 CCNC(=O)CCS(=O)(=O)C 527a_100015525214_100000737124 [0,1,0,0,0,0|2,0,0]=3 1618 B10R0.109 CCNC(=O)CCS(=O)(=O)N 240690a_100015525214_100000737202 [0,1,0,0,0,0|3,0,0]=4 1619 B10R0.109 CCNC(=O)CC[Si](C)(C)C 240690a_100015525214_100011215282 [0,1,0,0,0,0|2,1,0]=4 1620 B10R0.109 CCNC(=O)CC[Si](C)(C)C 527a_100015525214_100011215282 [0,1,0,0,0,0|2,1,0]=4 1621 B10R0.109 CCNC(=O)CNS(=O)(=O)C 11a_100015525214_100000737300 [0,1,0,0,0,0|3,0,0]=4 1622 B10R0.109 CCNC(=O)CNS(=O)(=O)C 240690a_100015525214_100000737300 [0,1,0,0,0,0|3,0,0]=4 1623 B10R0.109 CCNC(=O)CNS(=O)(=O)C 40a_100016988866_100000738038 [0,1,0,0,0,0|3,0,0]=4 1624 B10R0.109 CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000188475 [0,1,0,0,0,0|2,0,1]=4 1625 B10R0.109 CCOC(=O)COC(C)(C)C 34a_100015890283_100000188475 [0,1,0,0,0,0|2,0,1]=4 1626 B10R0.109 CCOC(=O)COC(C)(C)C 7a_100015890283_100000188475 [0,1,0,0,0,0|2,0,1]=4 1627 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000188475_100000211941 [0,1,0,0,0,0|2,0,1]=4 1628 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000211941_100000188475 [0,1,0,0,0,0|2,0,1]=4 1629 B10R0.109 CNCC(=O)CCS(=O)(=O)C 2230a_106832991635_100103131435 [0,1,0,0,0,0|3,0,0]=4 1630 B10R0.109 CNCC(=O)CCS(=O)(=O)C 34a_100102657272_100103131435 [0,1,0,0,0,0|3,0,0]=4 1631 B10R0.109 CNCC(=O)CCS(=O)(=O)C 7a_106832991635_100103131435 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.109 CNNC(=O)CCS(=O)(=O)C 22a_100016993582_100000737124 [0,1,0,0,0,0|3,0,0]=4 1633 B10R0.109 COCC(=O)CCS(=O)(=O)C 1458a_100000210968_100000731031 [0,1,0,0,0,0|3,0,0]=4 1634 B10R0.109 COCC(=O)CCS(=O)(=O)C 34a_100138415774_100103131435 [0,1,0,0,0,0|3,0,0]=4 1635 B10R0.109 CS(=O)(=O)CCC(=O)CCF 1458a_100000737124_100011217306 [0,1,0,0,0,0|3,0,0]=4 1636 B10R0.109 CS(=O)(=O)CCC(=O)CCO 1458a_100000737124_100000211926 [0,1,0,0,0,0|3,0,0]=4 1637 B10R0.109 CS(=O)(=O)CCC(=O)CCO 1458a_100011216618_100000731031 [0,1,0,0,0,0|3,0,0]=4 1638 B10R0.109 CS(=O)(=O)CCC(=O)CS[13CH3] 62a_100103131435_200025704644 [0,1,0,0,0,0|3,0,0]=4 1639 B10R0.109 CS(=O)(=O)CCC(=O)CS[13CH3] 62a_200025704644_100103131435 [0,1,0,0,0,0|3,0,0]=4 1640 B10R0.109 CSCC(=O)CCS(=O)(=O)C 1458a_100000184570_100000731031 [0,1,0,0,0,0|3,0,0]=4 1641 B10R0.109 CSCC(=O)CCS(=O)(=O)C 62a_100103131435_200000210301 [0,1,0,0,0,0|3,0,0]=4 1642 B10R0.109 CSCC(=O)CCS(=O)(=O)C 62a_200000210301_100103131435 [0,1,0,0,0,0|3,0,0]=4 1643 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,0,0,1,0,0|1,0,1]=3 1644 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,0,0,1,0,0|1,0,1]=3 1645 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,0,0,1,0,0|2,0,1]=4 1646 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,0,0,1,0,0|2,0,1]=4 1647 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,0,0,1,0,0|2,0,1]=4 1648 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,0,0,1,0,0|2,0,0]=3 1649 B10R1.64 CC(=O)CN1CCN=C1N 1458a_100000032790_200000210301 [0,0,0,1,0,0|3,0,0]=4 1650 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,0|1,0,0]=2 1651 B10R1.64 CC(=O)CN1CSCC1=O 1458a_100000008433_200000210301 [0,0,0,1,0,0|3,0,0]=4 1652 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,0,0,1,0,0|2,0,0]=3 1653 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,0,0,1,0,0|2,0,0]=3 1654 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,0,0,1,0,0|2,0,0]=3 1655 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,0,0,1,0,0|2,0,0]=3 1656 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,0,0,1,0,0|1,1,0]=3 1657 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,0,0,1,0,0|1,1,0]=3 1658 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,0,0,1,0,0|1,1,0]=3 1659 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,0,0,1,0,0|1,1,0]=3 1660 B10R1.64 CC(=O)N[C@@H]1CONC1=O 11a_100000765999_100015343762 [0,0,0,1,0,0|3,0,0]=4 1661 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,1,0,0|2,0,1]=4 1662 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,1,0,0|2,0,1]=4 1663 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,0,0,1,0,0|2,0,1]=4 1664 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,0,0,1,0,0|2,0,1]=4 1665 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,0,0,1,0,0|2,0,1]=4 1666 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,0,0,1,0,0|2,0,0]=3 1667 B10R1.64 [13CH3]C(=O)CN1CCN=C1N 1458a_100000032790_200025704644 [0,0,0,1,0,0|3,0,0]=4 1668 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,0|1,0,0]=2 1669 B10R1.64 [13CH3]C(=O)CN1CSCC1=O 1458a_100000008433_200025704644 [0,0,0,1,0,0|3,0,0]=4 1670 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,0|2,0,1]=4 1671 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,0|2,0,1]=4 1672 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,0|1,0,1]=3 1673 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,1,0,0|0,0,2]=3 1674 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,1,0,0|0,0,2]=3 1675 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,0,1,0,0|3,0,0]=4 1676 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,0,1,0,0|3,0,0]=4 1677 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,0,1,0,0|3,0,0]=4 1678 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,1,0,0|2,0,0]=3 1679 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,1,0,0|1,0,2]=4 1680 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,0,0,1,0,0|3,0,0]=4 1681 B10R1.66 CC(=O)NCC1OCCO1 11a_100000036311_100015343762 [0,0,0,1,0,0|1,0,2]=4 1682 B10R1.66 CC(=O)NCC1OCCO1 1626a_100000036311_100015343762 [0,0,0,1,0,0|1,0,2]=4 1683 B10R1.66 CC(=O)NCC1OCCO1 527a_100000036311_100103153847 [0,0,0,1,0,0|1,0,2]=4 1684 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1685 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1686 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1687 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,1,0,0|2,0,1]=4 1688 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,0|2,0,1]=4 1689 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,0|1,0,1]=3 1690 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,1,0,0|0,0,2]=3 1691 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,0,1,0,0|3,0,0]=4 1692 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,1,0,0|2,0,0]=3 1693 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,1,0,0|1,0,2]=4 1694 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,0,0,1,0,0|3,0,0]=4 1695 B10R1.82 CC(=O)CCN1CC(C1)C 269982a_100000702820_100000053229 [0,0,0,1,0,0|3,0,0]=4 1696 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [0,0,0,1,0,0|2,0,1]=4 1697 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [0,0,0,1,0,0|2,0,1]=4 1698 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [0,0,0,1,0,0|2,0,1]=4 1699 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [0,0,0,1,0,0|2,0,1]=4 1700 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|2,0,1]=4 1701 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|1,0,2]=4 1702 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,0,0|3,0,0]=4 1703 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,0|1,0,0]=2 1704 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,0,0|3,0,0]=4 1705 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [0,0,0,1,0,0|3,0,0]=4 1706 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [0,0,0,1,0,0|3,0,0]=4 1707 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [0,0,0,1,0,0|3,0,0]=4 1708 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [0,0,0,1,0,0|3,0,0]=4 1709 B10R1.113 CC(=O)N1CCNC(=O)C1 11a_100000184651_100015343762 [0,0,0,1,0,0|2,0,0]=3 1710 B10R1.113 CC(=O)N1CCNC(=O)C1 1626a_100000184651_100015343762 [0,0,0,1,0,0|2,0,0]=3 1711 B10R1.113 CC(=O)N1CCNC(=O)C1 240690a_100000184651_100015343762 [0,0,0,1,0,0|2,0,0]=3 1712 B10R1.113 CC(=O)N1CCNC(=O)C1 527a_100000184651_100103153847 [0,0,0,1,0,0|2,0,0]=3 1713 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,0|1,0,0]=2 1714 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,0|1,0,0]=2 1715 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,0|1,0,0]=2 1716 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,0,1,0,0|2,0,1]=4 1717 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,0,1,0,0|2,0,1]=4 1718 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,0,1,0,0|2,0,1]=4 1719 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,0,1,0,0|2,0,1]=4 1720 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,0,0,1,0,0|1,0,2]=4 1721 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,0,0,1,0,0|1,0,2]=4 1722 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,0,0,1,0,0|1,0,2]=4 1723 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,0,0,1,0,0|3,0,0]=4 1724 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|2,0,0]=3 1725 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,0,0|2,0,1]=4 1726 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,0,0,1,0,0|3,0,0]=4 1727 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|2,0,1]=4 1728 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,0,0|3,0,0]=4 1729 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|1,0,2]=4 1730 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,0|1,0,0]=2 1731 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,0,0|3,0,0]=4 1732 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|2,0,0]=3 1733 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,0,1,0,0|2,0,1]=4 1734 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,0,1,0,0|2,0,1]=4 1735 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,0,0,1,0,0|1,0,2]=4 1736 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,0,1,0,0|2,0,1]=4 1737 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,0,1,0,0|2,0,1]=4 1738 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,0,1,0,0|2,0,1]=4 1739 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,0|2,0,1]=4 1740 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,0|2,0,1]=4 1741 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,0,0,1,0,0|2,0,0]=3 1742 B10R1.140 C=C1CC(C1)C(=O)CCF 1458a_100000065620_100011217306 [0,0,0,1,0,0|3,0,0]=4 1743 B10R1.140 C=C1CC(C1)C(=O)CCO 1458a_100000065620_100000211926 [0,0,0,1,0,0|3,0,0]=4 1744 B10R1.140 C=C1CC(C1)C(=O)NCC 11a_100015525214_100000065620 [0,0,0,1,0,0|2,0,0]=3 1745 B10R1.140 C=C1CC(C1)C(=O)NCC 240690a_100015525214_100000065620 [0,0,0,1,0,0|2,0,0]=3 1746 B10R1.140 C=C1CC(C1)C(=O)NCC 527a_100015525214_100000065620 [0,0,0,1,0,0|2,0,0]=3 1747 B10R1.140 C=C1CC(C1)C(=O)NNC 22a_100016993582_100000065620 [0,0,0,1,0,0|3,0,0]=4 1748 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,0,0|2,0,1]=4 1749 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,0,0,1,0,0|2,0,1]=4 1750 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,0,0,1,0,0|3,0,0]=4 1751 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,0,0,1,0,0|2,0,0]=3 1752 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,0,0|1,0,2]=4 1753 B10R1.140 CCCN(C)C1CC(=O)C1 269982a_100000747261_100009894365 [0,0,0,1,0,0|3,0,0]=4 1754 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1755 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1756 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1757 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,0,0,1,0,0|2,0,1]=4 1758 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,0,0,1,0,0|2,0,1]=4 1759 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,0,0,1,0,0|2,0,1]=4 1760 B10R1.140 CCNC(=O)C1CN(C1)C 240690a_100015525214_100012002723 [0,0,0,1,0,0|3,0,0]=4 1761 B10R1.140 CCNC(=O)[C@@H]1CC(=O)N1 527a_100015525214_100016090685 [0,0,0,1,0,0|2,0,0]=3 1762 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,0,0,1,0,0|1,0,2]=4 1763 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,0,0,1,0,0|1,0,2]=4 1764 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,0,0|2,0,0]=3 1765 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,0,0|2,0,0]=3 1766 B10R1.140 CNNC(=O)[C@@H]1CC(=O)N1 22a_100016993582_100016090685 [0,0,0,1,0,0|3,0,0]=4 1767 B10R1.140 O=C1C[C@H](N1)C(=O)CCF 1458a_100016090685_100011217306 [0,0,0,1,0,0|3,0,0]=4 1768 B10R1.140 O=C1C[C@H](N1)C(=O)CCO 1458a_100016090685_100000211926 [0,0,0,1,0,0|3,0,0]=4 1769 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,0,0,1,0,0|2,0,0]=3 1770 B10R1.211 C=C(C)CCC(=O)C1CO1 1458a_100000701028_100000730704 [0,0,0,1,0,0|3,0,0]=4 1771 B10R1.211 C=C(C)CNC(=O)C1CC1 11a_100000765925_100000210395 [0,0,0,1,0,0|3,0,0]=4 1772 B10R1.211 C=C(C)CNC(=O)C1CC1 1626a_100000765925_100000210395 [0,0,0,1,0,0|3,0,0]=4 1773 B10R1.211 C=C(C)CNC(=O)C1CC1 240690a_100000765925_100000210395 [0,0,0,1,0,0|3,0,0]=4 1774 B10R1.211 C=C(C)CNC(=O)C1CC1 527a_100000765925_100000210395 [0,0,0,1,0,0|3,0,0]=4 1775 B10R1.211 CC(=CCC(=O)C1CC1)C 1458a_100000210395_100000761012 [0,0,0,1,0,0|2,0,1]=4 1776 B10R1.211 CC(=O)CCN(C)C1CC1 269982a_100000226674_100000053229 [0,0,0,1,0,0|3,0,0]=4 1777 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,0,0,1,0,0|2,0,0]=3 1778 B10R1.211 CC(=O)NNC(=O)C1CC1 22a_100000183419_100000070787 [0,0,0,1,0,0|3,0,0]=4 1779 B10R1.211 CC(=O)NNC(=O)C1CC1 22a_100000189765_100000210395 [0,0,0,1,0,0|3,0,0]=4 1780 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,0,0,1,0,0|2,0,1]=4 1781 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,0,0,1,0,0|1,0,2]=4 1782 B10R1.211 NC(=O)CNC(=O)C1CC1 11a_100000711301_100000210395 [0,0,0,1,0,0|3,0,0]=4 1783 B10R1.211 NC(=O)CNC(=O)C1CC1 240690a_100000711301_100000210395 [0,0,0,1,0,0|3,0,0]=4 1784 B10R1.211 NC(=O)CNC(=O)C1CC1 527a_100000711301_100000210395 [0,0,0,1,0,0|3,0,0]=4 1785 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,0,0,1,0,0|2,0,1]=4 1786 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,0,0,1,0,0|2,0,1]=4 1787 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,0,0,1,0,0|2,0,1]=4 1788 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,0,0,1,0,0|2,0,1]=4 1789 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,0,0,0,1,0|2,0,1]=4 1790 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,0,0,0,1,0|2,0,1]=4 1791 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,1,0|2,0,0]=3 1792 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,0,0,0,1,0|3,0,0]=4 1793 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,0,0,0,1,0|3,0,0]=4 1794 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,0,0,0,1,0|3,0,0]=4 1795 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,1,0|2,0,0]=3 1796 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,1,0|2,0,0]=3 1797 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,0,0,1,0|2,0,1]=4 1798 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,0,0,1,0|0,0,2]=3 1799 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,0,0,0,1,0|2,0,1]=4 1800 B8R0.5 CC#CC(=O)CC(=O)[O-] 1458a_100000763181_100020667443 [0,0,0,0,1,0|2,0,1]=4 1801 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,0,0,0,1,0|2,0,0]=3 1802 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,0,0,0,1,0|3,0,0]=4 1803 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,0,0,0,1,0|2,0,1]=4 1804 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,0,0,0,1,0|2,0,1]=4 1805 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,0,0,1,0|2,0,1]=4 1806 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,0,0,1,0|2,0,1]=4 1807 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,1,0|2,0,1]=4 1808 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,1,0|2,0,1]=4 1809 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,1,0|2,0,1]=4 1810 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,1,0|1,0,0]=2 1811 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,1,0|2,0,0]=3 1812 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,1,0|2,0,0]=3 1813 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,1,0|2,0,0]=3 1814 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,1,0|2,0,1]=4 1815 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,1,0|2,0,1]=4 1816 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,1,0|1,0,2]=4 1817 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,1,0|3,0,0]=4 1818 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,1,0|3,0,0]=4 1819 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,1,0|3,0,0]=4 1820 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,1,0|1,0,2]=4 1821 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,0,0,1,0|3,0,0]=4 1822 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,1,0|3,0,0]=4 1823 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,1,0|2,0,1]=4 1824 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,1,0|2,0,1]=4 1825 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,1,0|2,0,1]=4 1826 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,1,0|2,0,0]=3 1827 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,1,0|2,0,0]=3 1828 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,1,0|2,0,1]=4 1829 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,1,0|2,0,1]=4 1830 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,1,0|2,0,1]=4 1831 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,1,0|2,0,1]=4 1832 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,1,0|2,0,1]=4 1833 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,1,0|1,0,0]=2 1834 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,1,0|2,0,0]=3 1835 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,1,0|2,0,0]=3 1836 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,1,0|2,0,1]=4 1837 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,1,0|2,0,1]=4 1838 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,1,0|2,0,1]=4 1839 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,1,0|3,0,0]=4 1840 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,1,0|3,0,0]=4 1841 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,1,0|3,0,0]=4 1842 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,1,0|3,0,0]=4 1843 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,1,0|3,0,0]=4 1844 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,1,0|3,0,0]=4 1845 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,1,0|3,0,0]=4 1846 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,1,0|3,0,0]=4 1847 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,1,0|3,0,0]=4 1848 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,1,0|1,0,2]=4 1849 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,1,0|3,0,0]=4 1850 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,1,0|3,0,0]=4 1851 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,1,0|3,0,0]=4 1852 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,1,0|0,0,0]=1 1853 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,1,0|0,0,0]=1 1854 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,1,0|0,0,0]=1 1855 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,1,0|2,0,0]=3 1856 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,1,0|2,0,0]=3 1857 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,1,0|2,0,0]=3 1858 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,1,0|2,0,0]=3 1859 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,0,0,1,0|1,1,1]=4 1860 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,0,0,1,0|1,1,1]=4 1861 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,0,0,0,1,0|3,0,0]=4 1862 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,0,0,0,1,0|3,0,0]=4 1863 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,0,0,0,1,0|3,0,0]=4 1864 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,0,0,0,1,0|3,0,0]=4 1865 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,0,0,0,1,0|3,0,0]=4 1866 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,0,0,0,1,0|3,0,0]=4 1867 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,0,0,0,1,0|3,0,0]=4 1868 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,0,0,0,1,0|3,0,0]=4 1869 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,0,0,0,1,0|3,0,0]=4 1870 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,0,0,0,1,0|3,0,0]=4 1871 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,0,0,0,1,0|3,0,0]=4 1872 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,0,0,0,0,1|1,0,2]=4 1873 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100000183196_100000184674 [0,0,0,0,0,1|1,0,2]=4 1874 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100011220946_100000189650 [0,0,0,0,0,1|1,0,2]=4 1875 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,0,0,0,0,1|1,0,2]=4 1876 B10R0.3 C#CCC(=O)CCSC(=O)C 1458a_100000048949_100000184674 [0,0,0,0,0,1|1,0,2]=4 1877 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,0,0,0,0,1|2,0,0]=3 1878 B10R0.3 C=C(C)CNNC(=O)CCC 22a_100000729518_100000211992 [0,0,0,0,0,1|3,0,0]=4 1879 B10R0.3 C=C(C)CNNC(=O)NCC 273464a_100015525214_100000729518 [0,0,0,0,0,1|3,0,0]=4 1880 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100000729518_100015525214 [0,0,0,0,0,1|3,0,0]=4 1881 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100015525214_100000729518 [0,0,0,0,0,1|3,0,0]=4 1882 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,0,0,0,0,1|2,0,0]=3 1883 B10R0.3 C=C(C)COCC(=O)NCO 34a_100000210245_100000185155 [0,0,0,0,0,1|3,0,0]=4 1884 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,0,0,0,0,1|1,0,0]=2 1885 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,0,0,0,0,1|2,0,0]=3 1886 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,0,0,0,0,1|2,0,0]=3 1887 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,0,0,0,0,1|2,0,0]=3 1888 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,0,0,0,0,1|2,0,0]=3 1889 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000185155_100000211660 [0,0,0,0,0,1|3,0,0]=4 1890 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000748629_100000185155 [0,0,0,0,0,1|3,0,0]=4 1891 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,0,0,0,0,1|1,0,0]=2 1892 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,0,0,0,0,1|1,0,0]=2 1893 B10R0.3 C=C(F)CNCC(=O)NCC 2230a_100016988866_100009893438 [0,0,0,0,0,1|2,0,1]=4 1894 B10R0.3 C=C(F)COCC(=O)NCC 34a_200010262243_100000183381 [0,0,0,0,0,1|2,0,1]=4 1895 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,0,0,0,0,1|1,0,1]=3 1896 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000042424_100000747444 [0,0,0,0,0,1|2,0,1]=4 1897 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000747444_100000042424 [0,0,0,0,0,1|2,0,1]=4 1898 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000042424_100000183381 [0,0,0,0,0,1|2,0,1]=4 1899 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000183381_100000042424 [0,0,0,0,0,1|2,0,1]=4 1900 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,0,0,0,0,1|1,0,1]=3 1901 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,0,0,0,0,1|1,0,1]=3 1902 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,0,0,0,0,1|1,0,2]=4 1903 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,0,0,0,0,1|1,0,2]=4 1904 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,0,0,0,0,1|1,0,2]=4 1905 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,0,0,0,0,1|1,0,2]=4 1906 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,0,0,0,0,1|1,0,2]=4 1907 B10R0.3 C=COC(=O)CNCC(=O)N 2230a_100000711301_100000036128 [0,0,0,0,0,1|1,0,2]=4 1908 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,0,0,0,0,1|1,0,2]=4 1909 B10R0.3 C=COC(=O)COCC(=C)C 34a_100000210245_100000036128 [0,0,0,0,0,1|1,0,2]=4 1910 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,0,0,0,0,1|0,0,2]=3 1911 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000036128_100000211660 [0,0,0,0,0,1|1,0,2]=4 1912 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000748629_100000036128 [0,0,0,0,0,1|1,0,2]=4 1913 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000036128_100000747473 [0,0,0,0,0,1|1,0,2]=4 1914 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000747473_100000036128 [0,0,0,0,0,1|1,0,2]=4 1915 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100000036128_100020667443 [0,0,0,0,0,1|1,0,2]=4 1916 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100020667443_100000036128 [0,0,0,0,0,1|1,0,2]=4 1917 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,0,0,0,0,1|2,0,1]=4 1918 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,0,0,0,0,1|1,0,1]=3 1919 B10R0.3 CC#CC(=O)CCCC(=O)N 1458a_100000763181_100102525003 [0,0,0,0,0,1|2,0,1]=4 1920 B10R0.3 CC#CC(=O)CCNC(=O)C 1458a_100000763181_100000189650 [0,0,0,0,0,1|1,0,1]=3 1921 B10R0.3 CC#CC(=O)CCNC(=O)N 1458a_100000763181_200000034859 [0,0,0,0,0,1|2,0,1]=4 1922 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,0,0,0,0,1|1,0,1]=3 1923 B10R0.3 CC#CC(=O)CCOC(=O)N 1458a_100000763181_200011214921 [0,0,0,0,0,1|2,0,1]=4 1924 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,1|3,0,0]=4 1925 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,0,0,0,0,1|2,0,1]=4 1926 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,0,0,0,0,1|2,0,1]=4 1927 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,0,0,0,0,1|2,0,1]=4 1928 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,0,0,0,0,1|2,0,1]=4 1929 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,1|2,0,0]=3 1930 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [0,0,0,0,0,1|2,0,0]=3 1931 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,0,0,0,0,1|2,0,1]=4 1932 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,0,0,0,0,1|2,0,1]=4 1933 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,0,0,0,0,1|2,0,1]=4 1934 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100000183196_100011214920 [0,0,0,0,0,1|2,0,1]=4 1935 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100051588842_100000189650 [0,0,0,0,0,1|2,0,1]=4 1936 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,0,0,0,0,1|2,0,0]=3 1937 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,0,0,0,0,1|2,0,0]=3 1938 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,0,0,0,0,1|2,0,0]=3 1939 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,0,0,0,0,1|2,0,1]=4 1940 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,0,0,0,0,1|2,0,1]=4 1941 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,0,0,0,0,1|2,0,1]=4 1942 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,0,0,0,0,1|2,0,1]=4 1943 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,0,0,0,0,1|2,0,0]=3 1944 B10R0.3 CC(=O)SCCC(=O)CC#N 1458a_100000048949_100011214920 [0,0,0,0,0,1|2,0,1]=4 1945 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,0,0,0,0,1|2,0,0]=3 1946 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,0,0,0,0,1|2,0,0]=3 1947 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,0,0,0,0,1|2,0,1]=4 1948 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,0,0,0,0,1|1,0,1]=3 1949 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,0,0,0,0,1|2,0,1]=4 1950 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,0,0,0,0,1|1,0,1]=3 1951 B10R0.3 CC=CC(=O)CCNC(=O)N 1458a_100000210699_200000034859 [0,0,0,0,0,1|2,0,1]=4 1952 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,0,0,0,0,1|1,0,1]=3 1953 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,0,0,0,0,1|2,0,1]=4 1954 B10R0.3 CC=CC(=O)NCCC(=O)N 11a_100000740010_100000210699 [0,0,0,0,0,1|2,0,1]=4 1955 B10R0.3 CC=CC(=O)NCCC(=O)N 240690a_100000740010_100000210699 [0,0,0,0,0,1|2,0,1]=4 1956 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,1|2,0,0]=3 1957 B10R0.3 CCCC(=O)CCC=C(F)F 1458a_100000211992_200009816681 [0,0,0,0,0,1|3,0,0]=4 1958 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,0,0,0,0,1|1,0,0]=2 1959 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,0,0,0,0,1|2,0,0]=3 1960 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,0,0,0,0,1|2,0,1]=4 1961 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,0,0,0,0,1|2,0,1]=4 1962 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,0,0,0,0,1|1,0,2]=4 1963 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,0,0,0,0,1|3,0,0]=4 1964 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,0,0,0,0,1|3,0,0]=4 1965 B10R0.3 CCCC(=O)CCN=C(N)N 1458a_100000033030_100000210303 [0,0,0,0,0,1|3,0,0]=4 1966 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,0,0,0,0,1|1,0,0]=2 1967 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,0,0,0,0,1|1,0,0]=2 1968 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,0,0,0,0,1|2,0,0]=3 1969 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,0,0,0,0,1|2,0,0]=3 1970 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,0,0,0,0,1|1,0,0]=2 1971 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,0,0,0,0,1|2,0,0]=3 1972 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,1|2,0,1]=4 1973 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,0,0,0,0,1|1,0,0]=2 1974 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,0,0,0,0,1|2,0,1]=4 1975 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,0,0,0,0,1|2,0,0]=3 1976 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,0,0,0,0,1|2,0,0]=3 1977 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,0,0,0,0,1|2,0,1]=4 1978 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,0,0,0,0,1|1,0,2]=4 1979 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,0,0,0,0,1|2,0,0]=3 1980 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,0,0,0,0,1|2,0,1]=4 1981 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,0,0,0,0,1|2,0,0]=3 1982 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,0,0,0,0,1|2,0,0]=3 1983 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,0,0,0,0,1|2,0,0]=3 1984 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,0,0,0,0,1|2,0,0]=3 1985 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,0,0,0,0,1|2,0,1]=4 1986 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,0,0,0,0,1|2,0,1]=4 1987 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,0,0,0,0,1|1,0,2]=4 1988 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,0,0,0,0,1|1,0,2]=4 1989 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,0,0,0,0,1|1,0,2]=4 1990 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,0,0,0,0,1|1,0,2]=4 1991 B10R0.3 CCCC(=O)CSC[N+](=O)[O-] 62a_100000747444_100000761209 [0,0,0,0,0,1|3,0,0]=4 1992 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,1|2,0,1]=4 1993 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,1|2,0,1]=4 1994 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,1|2,0,1]=4 1995 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,0,0,0,0,1|2,0,0]=3 1996 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,0,0,0,0,1|2,0,0]=3 1997 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,0,0,0,0,1|2,0,0]=3 1998 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,0,0,0,0,1|2,0,1]=4 1999 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,0,0,0,0,1|2,0,1]=4 2000 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,0,0,0,0,1|2,0,1]=4 2001 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,0,0,0,0,1|2,0,1]=4 2002 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,0,0,0,0,1|1,0,2]=4 2003 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,0,0,0,0,1|1,0,2]=4 2004 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,0,0,0,0,1|3,0,0]=4 2005 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,0,0,0,0,1|3,0,0]=4 2006 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,0,0,0,0,1|2,0,1]=4 2007 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,0,0,0,0,1|2,0,1]=4 2008 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,0,0,0,0,1|2,0,1]=4 2009 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,0,0,0,0,1|2,0,1]=4 2010 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,0,0,0,0,1|2,0,1]=4 2011 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,0,0,0,0,1|2,0,1]=4 2012 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,0,0,0,0,1|3,0,0]=4 2013 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,0,0,0,0,1|3,0,0]=4 2014 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,0,0,0,0,1|3,0,0]=4 2015 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,0,0,0,0,1|3,0,0]=4 2016 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,0,0,0,0,1|1,0,0]=2 2017 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,0,0,0,0,1|1,0,0]=2 2018 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,0,0,0,0,1|2,0,1]=4 2019 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,0,0,0,0,1|2,0,1]=4 2020 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,0,0,0,0,1|2,0,1]=4 2021 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,0,0,0,0,1|1,0,2]=4 2022 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,0,0,0,0,1|3,0,0]=4 2023 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,0,0,0,0,1|3,0,0]=4 2024 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 11a_100015525214_100016109205 [0,0,0,0,0,1|3,0,0]=4 2025 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 240690a_100015525214_100016109205 [0,0,0,0,0,1|3,0,0]=4 2026 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 527a_100015525214_100016109205 [0,0,0,0,0,1|3,0,0]=4 2027 B10R0.3 CCNC(=O)CCN=C(N)N 240690a_100015525214_100000033030 [0,0,0,0,0,1|3,0,0]=4 2028 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,0,0,0,0,1|1,0,0]=2 2029 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,0,0,0,0,1|1,0,0]=2 2030 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,0,0,0,0,1|1,0,0]=2 2031 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,0,0,0,0,1|1,0,0]=2 2032 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,0,0,0,0,1|1,0,0]=2 2033 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,0,0,0,0,1|1,0,0]=2 2034 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,0,0,0,0,1|1,0,0]=2 2035 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,0,0,0,0,1|2,0,0]=3 2036 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,0,0,0,0,1|2,0,0]=3 2037 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,0,0,0,0,1|2,0,1]=4 2038 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,0,0,0,0,1|2,0,1]=4 2039 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,0,0,0,0,1|1,0,0]=2 2040 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,0,0,0,0,1|2,0,1]=4 2041 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,0,0,0,0,1|2,0,1]=4 2042 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,0,0,0,0,1|2,0,0]=3 2043 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,0,0,0,0,1|2,0,0]=3 2044 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,0,0,0,0,1|2,0,0]=3 2045 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,0,0,0,0,1|2,0,1]=4 2046 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,0,0,0,0,1|2,0,1]=4 2047 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,0,0,0,0,1|2,0,1]=4 2048 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,0,0,0,0,1|2,0,1]=4 2049 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,0,0,0,0,1|1,0,2]=4 2050 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,0,0,0,0,1|1,0,2]=4 2051 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,0,0,0,0,1|1,0,2]=4 2052 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,0,0,0,0,1|1,0,2]=4 2053 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,0,0,0,0,1|1,0,0]=2 2054 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,0,0,0,0,1|2,0,0]=3 2055 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,0,0,0,0,1|2,0,0]=3 2056 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,0,0,0,0,1|2,0,1]=4 2057 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,0,0,0,0,1|2,0,1]=4 2058 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,0,0,0,0,1|2,0,1]=4 2059 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,0,0,0,0,1|2,0,1]=4 2060 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,0,0,0,0,1|2,0,1]=4 2061 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,0,0,0,0,1|2,0,1]=4 2062 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,0,0,0,0,1|2,0,1]=4 2063 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,0,0,0,0,1|2,0,1]=4 2064 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,0,0,0,0,1|2,0,0]=3 2065 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,0,0,0,0,1|2,0,0]=3 2066 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,0,0,0,0,1|2,0,0]=3 2067 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,0,0,0,0,1|2,0,0]=3 2068 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,0,0,0,0,1|2,0,0]=3 2069 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,0,0,0,0,1|2,0,0]=3 2070 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,0,0,0,0,1|2,0,0]=3 2071 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,0,0,0,0,1|2,0,1]=4 2072 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,0,0,0,0,1|2,0,1]=4 2073 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,0,0,0,0,1|1,0,2]=4 2074 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,0,0,0,0,1|1,0,2]=4 2075 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,0,0,0,0,1|1,0,2]=4 2076 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,0,0,0,0,1|1,0,2]=4 2077 B10R0.3 CCNC(=O)CSC[N+](=O)[O-] 62a_100000183381_100000761209 [0,0,0,0,0,1|3,0,0]=4 2078 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,0,0,0,0,1|2,0,1]=4 2079 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,0,0,0,0,1|2,0,1]=4 2080 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,0,0,0,0,1|2,0,1]=4 2081 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,0,0,0,0,1|2,0,1]=4 2082 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,0,0,0,0,1|2,0,1]=4 2083 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,0,0,0,0,1|2,0,1]=4 2084 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,0,0,0,0,1|2,0,0]=3 2085 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,0,0,0,0,1|2,0,0]=3 2086 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,0,0,0,0,1|2,0,0]=3 2087 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,0,0,0,0,1|2,0,0]=3 2088 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,0,0,0,0,1|2,0,1]=4 2089 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,0,0,0,0,1|2,0,1]=4 2090 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,0,0,0,0,1|2,0,1]=4 2091 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,0,0,0,0,1|2,0,1]=4 2092 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,0,0,0,0,1|2,0,1]=4 2093 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,0,0,0,0,1|2,0,1]=4 2094 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,0,0,0,0,1|1,0,2]=4 2095 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,0,0,0,0,1|1,0,2]=4 2096 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,0,0,0,0,1|1,0,2]=4 2097 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,0,0,0,0,1|1,0,2]=4 2098 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,0,0,0,0,1|3,0,0]=4 2099 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,0,0,0,0,1|3,0,0]=4 2100 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,0,0,0,0,1|3,0,0]=4 2101 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,0,0,0,0,1|3,0,0]=4 2102 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,0,0,0,0,1|1,1,0]=3 2103 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,0,0,0,0,1|1,1,0]=3 2104 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,0,0,0,0,1|2,0,1]=4 2105 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,0,0,0,0,1|2,0,1]=4 2106 B10R0.3 CCOC(=O)C=NNC(=O)C 4a_100000189765_100000742314 [0,0,0,0,0,1|1,0,1]=3 2107 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,1|0,0,0]=1 2108 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,1|0,0,0]=1 2109 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,1|0,0,0]=1 2110 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,0,0,0,0,1|2,0,0]=3 2111 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,0,0,0,0,1|2,0,0]=3 2112 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,1|0,0,0]=1 2113 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,0,0,0,0,1|1,0,1]=3 2114 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,0,0,0,0,1|1,0,1]=3 2115 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,0,0,0,0,1|1,0,1]=3 2116 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,0,0,0,0,1|1,0,1]=3 2117 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,0,0,0,0,1|1,0,1]=3 2118 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,0,0,0,0,1|1,0,0]=2 2119 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,0,0,0,0,1|1,0,0]=2 2120 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,0,0,0,0,1|1,0,1]=3 2121 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,0,0,0,0,1|1,0,1]=3 2122 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,0,0,0,0,1|0,0,2]=3 2123 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,0,0,0,0,1|0,0,2]=3 2124 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,0,0,0,0,1|2,0,1]=4 2125 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,0,0,0,0,1|0,0,0]=1 2126 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,0,0,0,0,1|1,0,1]=3 2127 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,0,0,0,0,1|1,0,1]=3 2128 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,0,0,0,0,1|1,0,1]=3 2129 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,0,0,0,0,1|2,0,1]=4 2130 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,0,0,0,0,1|1,0,1]=3 2131 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,0,0,0,0,1|1,0,1]=3 2132 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,0,0,0,0,1|1,0,0]=2 2133 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,0,0,0,0,1|1,0,0]=2 2134 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,0,0,0,0,1|1,0,0]=2 2135 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,0,0,0,0,1|1,0,0]=2 2136 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,0,0,0,0,1|1,0,1]=3 2137 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,0,0,0,0,1|1,0,1]=3 2138 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,0,0,0,0,1|0,0,2]=3 2139 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,0,0,0,0,1|0,0,2]=3 2140 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,0,0,0,0,1|2,0,1]=4 2141 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,0,0,0,0,1|2,0,1]=4 2142 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,0,0,0,0,1|0,0,2]=3 2143 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,0,0,0,0,1|0,0,2]=3 2144 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,0,0,0,0,1|2,0,0]=3 2145 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,1|0,0,0]=1 2146 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,0,0,0,0,1|2,0,0]=3 2147 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,0,0,0,0,1|2,0,1]=4 2148 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,1|2,0,1]=4 2149 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,1|2,0,1]=4 2150 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,0,0,0,0,1|2,0,1]=4 2151 B10R0.3 CNCC(=O)NCCC(=O)N 2230a_200138414118_200000210301 [0,0,0,0,0,1|3,0,0]=4 2152 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,0,0,0,0,1|2,0,0]=3 2153 B10R0.3 CNNC(=O)CCNC(=O)N 22a_100016993582_100000181464 [0,0,0,0,0,1|3,0,0]=4 2154 B10R0.3 CNNC(=O)COCC(=O)N 22a_100016993582_100011219004 [0,0,0,0,0,1|3,0,0]=4 2155 B10R0.3 CNNC(=O)CSCC(=O)N 22a_100016993582_100000150265 [0,0,0,0,0,1|3,0,0]=4 2156 B10R0.3 CNNC(=O)NCCC(=O)N 273464a_100000740010_100016993582 [0,0,0,0,0,1|3,0,0]=4 2157 B10R0.3 CNNC(=O)NCCC(=O)N 512a_100016993582_100000740010 [0,0,0,0,0,1|3,0,0]=4 2158 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,1|3,0,0]=4 2159 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,0,0,0,0,1|2,0,0]=3 2160 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,0,0,0,0,1|3,0,0]=4 2161 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,0,0,0,0,1|2,0,0]=3 2162 B10R0.3 COCC(=O)CCNC(=O)N 1458a_100000210968_200000034859 [0,0,0,0,0,1|3,0,0]=4 2163 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,0,0,0,0,1|2,0,0]=3 2164 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,0,0,0,0,1|3,0,0]=4 2165 B10R0.3 COCC(=O)NCCC(=O)N 11a_100000740010_100000210968 [0,0,0,0,0,1|3,0,0]=4 2166 B10R0.3 COCC(=O)NCCC(=O)N 240690a_100000740010_100000210968 [0,0,0,0,0,1|3,0,0]=4 2167 B10R0.3 COCC(=O)NCCC(=O)N 527a_100000740010_100000210968 [0,0,0,0,0,1|3,0,0]=4 2168 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,1|3,0,0]=4 2169 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,0,0,0,0,1|2,0,0]=3 2170 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,0,0,0,0,1|3,0,0]=4 2171 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,0,0,0,0,1|2,0,0]=3 2172 B10R0.3 CSCC(=O)CCNC(=O)N 1458a_100000184570_200000034859 [0,0,0,0,0,1|3,0,0]=4 2173 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,0,0,0,0,1|2,0,0]=3 2174 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,0,0,0,0,1|3,0,0]=4 2175 B10R0.3 CSCC(=O)NCCC(=O)N 11a_100000740010_100000184570 [0,0,0,0,0,1|3,0,0]=4 2176 B10R0.3 CSCC(=O)NCCC(=O)N 240690a_100000740010_100000184570 [0,0,0,0,0,1|3,0,0]=4 2177 B10R0.3 CSCC(=O)NCCC(=O)N 527a_100000740010_100000184570 [0,0,0,0,0,1|3,0,0]=4 2178 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,0,0,0,0,1|3,0,0]=4 2179 B10R0.3 NC(=O)CCNC(=O)CCO 240690a_100000740010_100011216618 [0,0,0,0,0,1|3,0,0]=4 2180 B10R0.3 NC(=O)CNCC(=O)NCO 2230a_100000711301_100000185155 [0,0,0,0,0,1|3,0,0]=4 2181 B10R0.3 NC(=O)COCC(=O)CCF 1458a_100011219004_100011217306 [0,0,0,0,0,1|3,0,0]=4 2182 B10R0.3 NC(=O)COCC(=O)CCO 1458a_100011219004_100000211926 [0,0,0,0,0,1|3,0,0]=4 2183 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000185155_100000747473 [0,0,0,0,0,1|3,0,0]=4 2184 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000747473_100000185155 [0,0,0,0,0,1|3,0,0]=4 2185 B10R0.3 NC(=O)NCCC(=O)CCF 1458a_100000181464_100011217306 [0,0,0,0,0,1|3,0,0]=4 2186 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100000181464_100000211926 [0,0,0,0,0,1|3,0,0]=4 2187 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100011216618_200000034859 [0,0,0,0,0,1|3,0,0]=4 2188 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,0,0,0,0,1|3,0,0]=4 2189 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [0,0,0,0,0,1|3,0,0]=4 2190 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100000185155_100020667443 [0,0,0,0,0,1|3,0,0]=4 2191 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100020667443_100000185155 [0,0,0,0,0,1|3,0,0]=4 2192 B10R0.3 [13CH3]NCC(=O)NCCC(=O)N 2230a_200138414118_200025704644 [0,0,0,0,0,1|3,0,0]=4 2193 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|0,0,2]=4 2194 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|0,0,2]=4 2195 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|0,0,2]=4 2196 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|0,0,2]=4 2197 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2198 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|2,0,0]=4 2199 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2200 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2201 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|2,0,0]=4 2202 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2203 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2204 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2205 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|2,0,0]=4 2206 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|2,0,0]=4 2207 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|2,0,0]=4 2208 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|2,0,0]=4 2209 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 2210 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,2]=4 2211 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 2212 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,1]=4 2213 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 2214 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 2215 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 2216 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,1]=4 2217 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,1]=4 2218 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 2219 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 2220 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 2221 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|1,0,1]=4 2222 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 2223 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|1,0,1]=4 2224 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|1,0,1]=4 2225 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 2226 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 2227 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 2228 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2229 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|1,0,1]=4 2230 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|1,0,1]=4 2231 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2232 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|1,0,1]=4 2233 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|1,0,1]=4 2234 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|1,0,1]=4 2235 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|1,0,1]=4 2236 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|0,1,1]=4 2237 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|0,1,1]=4 2238 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 2239 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 2240 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,1]=3 2241 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [2,0,0,0,0,0|1,0,1]=4 2242 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,1]=3 2243 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,1]=3 2244 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [2,0,0,0,0,0|1,0,1]=4 2245 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [2,0,0,0,0,0|1,0,1]=4 2246 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [2,0,0,0,0,0|1,0,1]=4 2247 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 2248 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 2249 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 2250 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [2,0,0,0,0,0|1,0,1]=4 2251 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [2,0,0,0,0,0|1,0,1]=4 2252 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [2,0,0,0,0,0|1,0,1]=4 2253 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 2254 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,1]=3 2255 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,1]=3 2256 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [2,0,0,0,0,0|1,0,1]=4 2257 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [2,0,0,0,0,0|1,0,1]=4 2258 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [2,0,0,0,0,0|1,0,1]=4 2259 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [2,0,0,0,0,0|1,0,1]=4 2260 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [2,0,0,0,0,0|1,0,1]=4 2261 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [2,0,0,0,0,0|1,0,1]=4 2262 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [2,0,0,0,0,0|2,0,0]=4 2263 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 2264 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 2265 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,1]=4 2266 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|0,0,2]=4 2267 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 2268 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 2269 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 2270 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 2271 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,1]=3 2272 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,1]=3 2273 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,1]=4 2274 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,1]=4 2275 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,1]=4 2276 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 2277 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 2278 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 2279 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2280 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2281 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2282 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2283 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|1,0,1]=4 2284 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,1]=4 2285 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,1]=4 2286 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|1,0,1]=4 2287 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,1]=4 2288 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,1]=4 2289 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,1]=4 2290 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|1,0,1]=4 2291 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|1,0,1]=4 2292 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2293 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2294 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 2295 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2296 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2297 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 2298 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 2299 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2300 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 2301 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 2302 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2303 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2304 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2305 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2306 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 2307 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2308 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 2309 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2310 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2311 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2312 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 2313 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2314 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 2315 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|1,0,0]=3 2316 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 2317 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|1,0,0]=3 2318 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|1,0,0]=3 2319 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|1,0,0]=3 2320 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|1,0,0]=3 2321 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [2,0,0,0,0,0|2,0,0]=4 2322 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [2,0,0,0,0,0|2,0,0]=4 2323 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 2324 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|2,0,0]=4 2325 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|1,0,0]=3 2326 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 2327 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|2,0,0]=4 2328 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|1,0,1]=4 2329 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|1,0,1]=4 2330 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 2331 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 2332 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 2333 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 2334 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 2335 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 2336 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 2337 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 2338 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 2339 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|1,0,1]=4 2340 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|1,0,1]=4 2341 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 2342 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 2343 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 2344 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 2345 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 2346 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 2347 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 2348 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 2349 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2350 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2351 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2352 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 2353 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 2354 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 2355 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 2356 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|1,0,1]=4 2357 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 2358 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2359 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 2360 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2361 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 2362 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2363 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2364 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 2365 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2366 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2367 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2368 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2369 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 2370 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 2371 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 2372 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 2373 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2374 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2375 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2376 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 2377 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 2378 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 2379 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 2380 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 2381 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 2382 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 2383 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 2384 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [2,0,0,0,0,0|1,0,1]=4 2385 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [2,0,0,0,0,0|2,0,0]=4 2386 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|1,0,0]=3 2387 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|1,0,0]=3 2388 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [2,0,0,0,0,0|2,0,0]=4 2389 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|1,1,0]=4 2390 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|1,1,0]=4 2391 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|0,0,2]=4 2392 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,1]=4 2393 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 2394 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 2395 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|0,0,1]=3 2396 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|0,0,1]=3 2397 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|0,1,1]=4 2398 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|0,1,1]=4 2399 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [2,0,0,0,0,0|1,0,0]=3 2400 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [2,0,0,0,0,0|1,0,0]=3 2401 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|1,1,0]=4 2402 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|1,1,0]=4 2403 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|1,0,1]=4 2404 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,1]=3 2405 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,1]=3 2406 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,1]=3 2407 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 2408 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [2,0,0,0,0,0|2,0,0]=4 2409 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|1,0,1]=4 2410 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|1,0,1]=4 2411 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,1]=3 2412 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,1]=3 2413 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,1]=3 2414 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,1]=4 2415 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,1]=4 2416 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,1]=4 2417 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,1]=4 2418 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,1]=4 2419 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,1]=4 2420 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,1]=4 2421 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,1]=4 2422 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,1]=4 2423 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 2424 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [2,0,0,0,0,0|0,0,1]=3 2425 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [2,0,0,0,0,0|0,0,1]=3 2426 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [2,0,0,0,0,0|1,0,1]=4 2427 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [2,0,0,0,0,0|1,0,1]=4 2428 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|0,0,0]=2 2429 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|0,0,0]=2 2430 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|0,0,0]=2 2431 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|0,0,0]=2 2432 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|1,0,0]=3 2433 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|1,0,0]=3 2434 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|1,0,0]=3 2435 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|0,0,0]=2 2436 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|1,0,1]=4 2437 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 2438 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|1,0,1]=4 2439 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 2440 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|0,0,2]=4 2441 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [2,0,0,0,0,0|2,0,0]=4 2442 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [2,0,0,0,0,0|2,0,0]=4 2443 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|1,0,1]=4 2444 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|1,0,0]=3 2445 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|0,1,0]=3 2446 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|0,1,0]=3 2447 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|0,1,0]=3 2448 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|0,1,0]=3 2449 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|1,1,0]=4 2450 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|1,1,0]=4 2451 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|0,1,0]=3 2452 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|1,1,0]=4 2453 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|1,1,0]=4 2454 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,1]=4 2455 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,1]=4 2456 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|0,0,1]=3 2457 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|0,0,1]=3 2458 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|0,0,1]=3 2459 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|0,0,1]=3 2460 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|0,0,1]=3 2461 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|1,0,1]=4 2462 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|0,0,1]=3 2463 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|1,0,1]=4 2464 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|1,0,1]=4 2465 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|1,0,1]=4 2466 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|1,0,1]=4 2467 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|1,0,1]=4 2468 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|0,1,1]=4 2469 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|0,1,1]=4 2470 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|0,1,1]=4 2471 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|0,1,1]=4 2472 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [2,0,0,0,0,0|2,0,0]=4 2473 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [2,0,0,0,0,0|2,0,0]=4 2474 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 2475 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [2,0,0,0,0,0|1,0,0]=3 2476 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [2,0,0,0,0,0|1,0,0]=3 2477 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [2,0,0,0,0,0|1,0,0]=3 2478 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [2,0,0,0,0,0|2,0,0]=4 2479 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [2,0,0,0,0,0|2,0,0]=4 2480 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [2,0,0,0,0,0|2,0,0]=4 2481 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [2,0,0,0,0,0|2,0,0]=4 2482 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [2,0,0,0,0,0|1,0,1]=4 2483 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [2,0,0,0,0,0|1,0,1]=4 2484 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [2,0,0,0,0,0|1,0,1]=4 2485 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [2,0,0,0,0,0|1,0,0]=3 2486 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [2,0,0,0,0,0|1,0,1]=4 2487 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [2,0,0,0,0,0|1,0,1]=4 2488 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [2,0,0,0,0,0|0,0,2]=4 2489 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [2,0,0,0,0,0|2,0,0]=4 2490 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [2,0,0,0,0,0|1,0,1]=4 2491 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [2,0,0,0,0,0|2,0,0]=4 2492 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [2,0,0,0,0,0|1,0,0]=3 2493 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [2,0,0,0,0,0|2,0,0]=4 2494 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [2,0,0,0,0,0|1,0,0]=3 2495 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [2,0,0,0,0,0|1,0,0]=3 2496 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [2,0,0,0,0,0|2,0,0]=4 2497 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [2,0,0,0,0,0|2,0,0]=4 2498 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [2,0,0,0,0,0|2,0,0]=4 2499 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [2,0,0,0,0,0|1,0,0]=3 2500 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [2,0,0,0,0,0|2,0,0]=4 2501 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [2,0,0,0,0,0|1,0,0]=3 2502 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [2,0,0,0,0,0|1,0,0]=3 2503 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [2,0,0,0,0,0|1,0,1]=4 2504 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [2,0,0,0,0,0|2,0,0]=4 2505 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [2,0,0,0,0,0|1,0,0]=3 2506 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [2,0,0,0,0,0|1,0,1]=4 2507 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [2,0,0,0,0,0|2,0,0]=4 2508 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [1,1,0,0,0,0|1,0,1]=4 2509 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [1,1,0,0,0,0|1,0,1]=4 2510 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [1,1,0,0,0,0|1,0,1]=4 2511 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [1,1,0,0,0,0|1,0,1]=4 2512 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [1,1,0,0,0,0|1,0,1]=4 2513 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [1,1,0,0,0,0|1,0,1]=4 2514 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 2515 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 2516 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 2517 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 2518 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [1,1,0,0,0,0|2,0,0]=4 2519 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [1,1,0,0,0,0|2,0,0]=4 2520 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|1,0,0]=3 2521 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|1,0,0]=3 2522 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [1,1,0,0,0,0|2,0,0]=4 2523 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [1,1,0,0,0,0|2,0,0]=4 2524 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [1,1,0,0,0,0|1,0,1]=4 2525 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [1,1,0,0,0,0|1,0,1]=4 2526 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [1,1,0,0,0,0|1,0,1]=4 2527 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [1,1,0,0,0,0|1,0,1]=4 2528 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 2529 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 2530 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 2531 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 2532 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,1]=4 2533 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,1]=4 2534 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,1]=4 2535 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,1]=4 2536 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2537 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2538 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2539 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2540 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|1,0,1]=4 2541 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|1,0,1]=4 2542 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|1,0,1]=4 2543 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|1,0,1]=4 2544 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 2545 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 2546 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 2547 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 2548 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|2,0,0]=4 2549 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|2,0,0]=4 2550 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|2,0,0]=4 2551 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|2,0,0]=4 2552 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2553 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2554 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2555 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2556 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|2,0,0]=4 2557 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|2,0,0]=4 2558 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|2,0,0]=4 2559 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|2,0,0]=4 2560 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2561 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2562 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2563 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2564 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [1,1,0,0,0,0|2,0,0]=4 2565 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [1,1,0,0,0,0|2,0,0]=4 2566 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|1,0,0]=3 2567 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|1,0,0]=3 2568 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [1,1,0,0,0,0|2,0,0]=4 2569 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [1,1,0,0,0,0|2,0,0]=4 2570 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [1,1,0,0,0,0|0,0,2]=4 2571 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [1,1,0,0,0,0|0,0,2]=4 2572 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [1,1,0,0,0,0|0,0,2]=4 2573 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|1,0,1]=4 2574 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|1,0,1]=4 2575 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2576 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2577 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2578 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 2579 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 2580 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 2581 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 2582 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [1,1,0,0,0,0|1,0,1]=4 2583 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [1,1,0,0,0,0|1,0,1]=4 2584 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [1,1,0,0,0,0|1,0,1]=4 2585 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [1,1,0,0,0,0|1,0,1]=4 2586 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [1,1,0,0,0,0|1,0,1]=4 2587 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [1,1,0,0,0,0|1,0,1]=4 2588 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [1,1,0,0,0,0|1,0,1]=4 2589 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [1,1,0,0,0,0|1,0,1]=4 2590 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [1,1,0,0,0,0|1,0,1]=4 2591 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,1,0,0,0,0|0,0,1]=3 2592 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [1,1,0,0,0,0|1,0,1]=4 2593 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,1,0,0,0,0|0,0,1]=3 2594 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [1,1,0,0,0,0|1,0,1]=4 2595 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [1,1,0,0,0,0|1,0,1]=4 2596 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [1,1,0,0,0,0|1,0,1]=4 2597 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [1,1,0,0,0,0|1,0,1]=4 2598 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [1,1,0,0,0,0|1,0,1]=4 2599 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [1,1,0,0,0,0|1,0,1]=4 2600 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [1,1,0,0,0,0|1,0,1]=4 2601 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [1,1,0,0,0,0|1,0,1]=4 2602 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,1,0,0,0,0|0,0,1]=3 2603 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,1,0,0,0,0|0,0,1]=3 2604 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [1,1,0,0,0,0|0,0,2]=4 2605 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [1,1,0,0,0,0|0,0,2]=4 2606 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,1,0,0,0,0|1,0,1]=4 2607 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|1,0,1]=4 2608 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 2609 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 2610 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 2611 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|1,0,1]=4 2612 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 2613 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|1,0,1]=4 2614 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|1,0,1]=4 2615 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,1]=4 2616 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,1]=4 2617 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,1]=4 2618 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,1]=4 2619 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,1]=4 2620 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,1]=4 2621 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,1]=4 2622 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,1,0,0,0,0|1,0,0]=3 2623 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,1,0,0,0,0|1,0,0]=3 2624 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,1,0,0,0,0|2,0,0]=4 2625 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,1,0,0,0,0|2,0,0]=4 2626 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,1,0,0,0,0|2,0,0]=4 2627 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,1,0,0,0,0|2,0,0]=4 2628 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 2629 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 2630 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 2631 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 2632 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 2633 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 2634 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 2635 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|1,0,1]=4 2636 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|1,0,1]=4 2637 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 2638 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 2639 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 2640 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 2641 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 2642 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 2643 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 2644 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|1,0,1]=4 2645 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|1,0,1]=4 2646 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|1,0,1]=4 2647 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|1,0,1]=4 2648 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|1,0,1]=4 2649 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|1,0,1]=4 2650 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|1,0,1]=4 2651 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|1,0,1]=4 2652 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 2653 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 2654 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|1,0,1]=4 2655 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 2656 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|0,0,1]=3 2657 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|1,0,1]=4 2658 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|1,0,1]=4 2659 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|1,0,1]=4 2660 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|1,0,1]=4 2661 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|1,0,1]=4 2662 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|1,0,1]=4 2663 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|1,0,1]=4 2664 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|1,0,1]=4 2665 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|0,0,1]=3 2666 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|0,0,1]=3 2667 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|1,0,1]=4 2668 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|1,0,1]=4 2669 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|1,0,1]=4 2670 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|1,0,1]=4 2671 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|1,0,1]=4 2672 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|1,0,1]=4 2673 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,1,0,0,0,0|2,0,0]=4 2674 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 2675 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 2676 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 2677 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|1,0,1]=4 2678 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|1,0,1]=4 2679 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|1,0,1]=4 2680 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|1,0,1]=4 2681 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|1,0,1]=4 2682 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,1,0,0,0,0|2,0,0]=4 2683 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,1,0,0,0,0|2,0,0]=4 2684 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [1,1,0,0,0,0|1,0,0]=3 2685 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,1,0,0,0,0|2,0,0]=4 2686 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,1,0,0,0,0|2,0,0]=4 2687 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [1,1,0,0,0,0|1,0,0]=3 2688 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [1,1,0,0,0,0|1,0,0]=3 2689 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,1,0,0,0,0|2,0,0]=4 2690 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,1,0,0,0,0|2,0,0]=4 2691 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,1,0,0,0,0|2,0,0]=4 2692 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,1,0,0,0,0|2,0,0]=4 2693 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 2694 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,1,0,0,0,0|2,0,0]=4 2695 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 2696 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 2697 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 2698 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 2699 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 2700 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 2701 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 2702 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|1,0,1]=4 2703 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|1,0,1]=4 2704 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|0,0,1]=3 2705 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,1,0,0,0,0|1,0,1]=4 2706 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,1,0,0,0,0|1,0,1]=4 2707 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,1,0,0,0,0|1,0,1]=4 2708 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,1,0,0,0,0|1,0,1]=4 2709 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,1,0,0,0,0|1,0,1]=4 2710 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,1,0,0,0,0|1,0,1]=4 2711 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,1,0,0,0,0|1,0,1]=4 2712 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,1,0,0,0,0|1,0,1]=4 2713 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|0,0,1]=3 2714 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|0,0,1]=3 2715 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|0,0,1]=3 2716 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|0,0,1]=3 2717 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|0,0,1]=3 2718 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|0,0,1]=3 2719 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|0,0,1]=3 2720 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|0,0,1]=3 2721 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|0,0,1]=3 2722 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|0,0,1]=3 2723 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|0,0,1]=3 2724 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|0,0,1]=3 2725 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,1,0,0,0,0|1,0,0]=3 2726 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,1,0,0,0,0|1,0,0]=3 2727 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,1,0,0,0,0|1,0,1]=4 2728 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,1,0,0,0,0|0,0,2]=4 2729 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,1,0,0,0,0|0,0,2]=4 2730 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,1,0,0,0,0|1,0,1]=4 2731 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,1,0,0,0,0|1,0,1]=4 2732 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [1,1,0,0,0,0|1,0,1]=4 2733 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [1,1,0,0,0,0|1,0,1]=4 2734 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,1,0,0,0,0|0,0,0]=2 2735 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,1,0,0,0,0|0,0,0]=2 2736 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,1,0,0,0,0|1,0,1]=4 2737 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,1,0,0,0,0|1,0,1]=4 2738 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,1,0,0,0,0|0,0,2]=4 2739 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,1,0,0,0,0|0,0,2]=4 2740 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,1,0,0,0,0|1,0,0]=3 2741 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,1,0,0,0,0|1,0,0]=3 2742 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,1,0,0,0,0|1,0,0]=3 2743 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,1,0,0,0,0|1,0,0]=3 2744 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,1,0,0,0,0|1,0,0]=3 2745 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,1,0,0,0,0|1,0,0]=3 2746 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,1,0,0,0,0|1,0,0]=3 2747 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,1,0,0,0,0|1,0,0]=3 2748 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,1,0,0,0,0|1,0,0]=3 2749 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,1,0,0,0,0|1,0,1]=4 2750 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,1,0,0,0,0|2,0,0]=4 2751 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|0,0,1]=3 2752 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [1,1,0,0,0,0|2,0,0]=4 2753 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [1,1,0,0,0,0|2,0,0]=4 2754 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [1,1,0,0,0,0|1,0,1]=4 2755 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [1,1,0,0,0,0|1,0,1]=4 2756 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [1,1,0,0,0,0|1,0,1]=4 2757 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [1,1,0,0,0,0|1,0,1]=4 2758 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [1,1,0,0,0,0|1,0,1]=4 2759 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [1,1,0,0,0,0|1,0,1]=4 2760 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [1,1,0,0,0,0|1,0,1]=4 2761 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [1,1,0,0,0,0|1,0,1]=4 2762 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [1,1,0,0,0,0|1,0,1]=4 2763 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [1,1,0,0,0,0|1,0,1]=4 2764 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [1,1,0,0,0,0|1,0,1]=4 2765 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [1,1,0,0,0,0|1,0,1]=4 2766 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [1,1,0,0,0,0|1,0,1]=4 2767 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [1,1,0,0,0,0|1,0,1]=4 2768 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [1,1,0,0,0,0|1,0,1]=4 2769 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [1,1,0,0,0,0|1,0,1]=4 2770 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|2,0,0]=4 2771 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|2,0,0]=4 2772 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|2,0,0]=4 2773 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|2,0,0]=4 2774 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|2,0,0]=4 2775 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|2,0,0]=4 2776 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,1]=4 2777 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,1]=4 2778 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,1]=4 2779 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2780 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2781 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2782 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2783 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 2784 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 2785 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 2786 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 2787 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 2788 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 2789 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 2790 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 2791 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [1,1,0,0,0,0|0,0,2]=4 2792 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [1,1,0,0,0,0|1,0,1]=4 2793 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [1,1,0,0,0,0|1,0,1]=4 2794 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|1,0,1]=4 2795 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [1,1,0,0,0,0|1,0,1]=4 2796 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [1,1,0,0,0,0|1,0,1]=4 2797 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,1]=3 2798 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [1,1,0,0,0,0|0,1,1]=4 2799 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [1,1,0,0,0,0|1,0,1]=4 2800 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [1,1,0,0,0,0|1,0,1]=4 2801 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|1,0,1]=4 2802 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|1,0,1]=4 2803 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [1,1,0,0,0,0|1,0,1]=4 2804 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [1,1,0,0,0,0|1,0,1]=4 2805 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [1,1,0,0,0,0|1,0,1]=4 2806 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [1,1,0,0,0,0|1,0,1]=4 2807 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [1,1,0,0,0,0|1,0,1]=4 2808 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [1,1,0,0,0,0|1,0,1]=4 2809 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,1,0,0,0,0|0,0,1]=3 2810 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [1,1,0,0,0,0|0,1,1]=4 2811 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2812 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2813 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2814 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2815 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [1,1,0,0,0,0|1,0,1]=4 2816 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [1,1,0,0,0,0|1,0,1]=4 2817 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [1,1,0,0,0,0|1,0,1]=4 2818 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [1,1,0,0,0,0|1,0,1]=4 2819 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [1,1,0,0,0,0|1,0,1]=4 2820 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [1,1,0,0,0,0|1,0,1]=4 2821 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [1,1,0,0,0,0|1,0,1]=4 2822 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [1,1,0,0,0,0|1,0,1]=4 2823 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [1,1,0,0,0,0|1,0,1]=4 2824 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [1,1,0,0,0,0|1,0,1]=4 2825 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,1,0,0,0,0|1,0,1]=4 2826 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [1,1,0,0,0,0|0,0,2]=4 2827 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [1,1,0,0,0,0|1,0,1]=4 2828 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [1,1,0,0,0,0|1,0,1]=4 2829 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|1,0,1]=4 2830 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|1,0,1]=4 2831 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [1,1,0,0,0,0|1,0,1]=4 2832 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [1,1,0,0,0,0|1,0,1]=4 2833 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [1,1,0,0,0,0|1,0,1]=4 2834 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [1,1,0,0,0,0|1,0,1]=4 2835 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [1,1,0,0,0,0|1,0,1]=4 2836 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [1,1,0,0,0,0|1,0,1]=4 2837 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,1]=3 2838 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [1,1,0,0,0,0|0,1,1]=4 2839 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2840 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2841 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2842 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2843 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [1,1,0,0,0,0|1,0,1]=4 2844 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [1,1,0,0,0,0|1,0,1]=4 2845 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [1,1,0,0,0,0|1,0,1]=4 2846 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [1,1,0,0,0,0|1,0,1]=4 2847 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [1,1,0,0,0,0|1,0,1]=4 2848 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [1,1,0,0,0,0|1,0,1]=4 2849 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [1,1,0,0,0,0|1,0,1]=4 2850 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [1,1,0,0,0,0|2,0,0]=4 2851 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|1,0,1]=4 2852 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [1,1,0,0,0,0|2,0,0]=4 2853 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [1,1,0,0,0,0|2,0,0]=4 2854 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|1,0,1]=4 2855 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|2,0,0]=4 2856 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|2,0,0]=4 2857 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,1]=4 2858 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 2859 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|1,0,1]=4 2860 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,1]=4 2861 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,1]=4 2862 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,1]=4 2863 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,1]=4 2864 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,1]=3 2865 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,1,1]=4 2866 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2867 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2868 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2869 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2870 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2871 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2872 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2873 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2874 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 2875 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 2876 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,1]=4 2877 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 2878 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 2879 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 2880 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 2881 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 2882 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 2883 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 2884 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 2885 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2886 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2887 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2888 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,1]=4 2889 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2890 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,1]=4 2891 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,1]=4 2892 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,1]=4 2893 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,1]=4 2894 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|1,0,1]=4 2895 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|1,0,1]=4 2896 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|1,0,1]=4 2897 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|1,0,1]=4 2898 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|1,0,1]=4 2899 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [1,1,0,0,0,0|2,0,0]=4 2900 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [1,1,0,0,0,0|2,0,0]=4 2901 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [1,1,0,0,0,0|1,0,1]=4 2902 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,1]=4 2903 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|0,0,2]=4 2904 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,0]=3 2905 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,0]=3 2906 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,1,0,0,0,0|1,1,0]=4 2907 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,1,0,0,0,0|1,1,0]=4 2908 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,1,0,0,0,0|2,0,0]=4 2909 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|2,0,0]=4 2910 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [1,1,0,0,0,0|2,0,0]=4 2911 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [1,1,0,0,0,0|2,0,0]=4 2912 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [1,1,0,0,0,0|2,0,0]=4 2913 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2914 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2915 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2916 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2917 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 2918 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 2919 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,1,0,0,0,0|2,0,0]=4 2920 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|2,0,0]=4 2921 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [1,1,0,0,0,0|2,0,0]=4 2922 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2923 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2924 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2925 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2926 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 2927 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 2928 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [1,1,0,0,0,0|0,0,2]=4 2929 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [1,1,0,0,0,0|1,0,1]=4 2930 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [1,1,0,0,0,0|1,0,1]=4 2931 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [1,1,0,0,0,0|1,0,1]=4 2932 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [1,1,0,0,0,0|1,0,1]=4 2933 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|1,0,1]=4 2934 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|1,0,1]=4 2935 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,1]=4 2936 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,1]=4 2937 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|1,0,1]=4 2938 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2939 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2940 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2941 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,1]=4 2942 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|0,0,2]=4 2943 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|0,0,2]=4 2944 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,1,0,0,0,0|1,0,1]=4 2945 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 2946 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 2947 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2948 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|1,0,0]=3 2949 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2950 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|1,0,0]=3 2951 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|1,0,1]=4 2952 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|1,0,1]=4 2953 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|1,0,1]=4 2954 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|1,0,1]=4 2955 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|1,0,1]=4 2956 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|1,0,1]=4 2957 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|1,0,1]=4 2958 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|1,0,0]=3 2959 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|1,0,0]=3 2960 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,1,0,0,0,0|2,0,0]=4 2961 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,1,0,0,0,0|2,0,0]=4 2962 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,1,0,0,0,0|2,0,0]=4 2963 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,1,0,0,0,0|2,0,0]=4 2964 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|1,0,1]=4 2965 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|1,0,1]=4 2966 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|1,0,1]=4 2967 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|1,0,1]=4 2968 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|1,0,1]=4 2969 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|1,0,1]=4 2970 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|1,0,1]=4 2971 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [1,1,0,0,0,0|1,0,1]=4 2972 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 2973 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 2974 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 2975 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,1]=4 2976 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,1]=4 2977 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [1,1,0,0,0,0|2,0,0]=4 2978 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [1,1,0,0,0,0|2,0,0]=4 2979 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [1,1,0,0,0,0|2,0,0]=4 2980 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|1,0,1]=4 2981 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 2982 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 2983 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 2984 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|1,0,1]=4 2985 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 2986 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 2987 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 2988 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 2989 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 2990 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 2991 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|1,0,1]=4 2992 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,1]=4 2993 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|1,0,1]=4 2994 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|1,0,1]=4 2995 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|1,0,1]=4 2996 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|1,0,1]=4 2997 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|1,0,1]=4 2998 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|1,0,1]=4 2999 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|1,0,1]=4 3000 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,1]=4 3001 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,1]=4 3002 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,1]=4 3003 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|1,0,1]=4 3004 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|1,0,1]=4 3005 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,1,0,0,0,0|2,0,0]=4 3006 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,1,0,0,0,0|2,0,0]=4 3007 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,1,0,0,0,0|2,0,0]=4 3008 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,1,0,0,0,0|2,0,0]=4 3009 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,1,0,0,0,0|2,0,0]=4 3010 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,1,0,0,0,0|1,0,1]=4 3011 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,1,0,0,0,0|1,0,1]=4 3012 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [1,1,0,0,0,0|0,0,2]=4 3013 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [1,1,0,0,0,0|0,0,2]=4 3014 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [1,1,0,0,0,0|0,0,2]=4 3015 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [1,1,0,0,0,0|1,0,1]=4 3016 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [1,1,0,0,0,0|1,0,1]=4 3017 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [1,1,0,0,0,0|1,0,1]=4 3018 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [1,1,0,0,0,0|1,0,1]=4 3019 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [1,1,0,0,0,0|2,0,0]=4 3020 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [1,1,0,0,0,0|2,0,0]=4 3021 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 3022 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [1,1,0,0,0,0|1,0,1]=4 3023 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 3024 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [1,1,0,0,0,0|2,0,0]=4 3025 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [1,1,0,0,0,0|2,0,0]=4 3026 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [1,1,0,0,0,0|1,0,1]=4 3027 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [1,1,0,0,0,0|1,0,1]=4 3028 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,1,0,0,0,0|0,0,2]=4 3029 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,1,0,0,0,0|0,0,2]=4 3030 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,1,0,0,0,0|0,0,2]=4 3031 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,1]=4 3032 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,1]=4 3033 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,1]=4 3034 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,1,0,0,0,0|1,0,1]=4 3035 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|1,0,1]=4 3036 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [1,1,0,0,0,0|0,0,2]=4 3037 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,1,0,0,0,0|0,0,2]=4 3038 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,1,0,0,0,0|0,0,2]=4 3039 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,1,0,0,0,0|0,0,1]=3 3040 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,1,0,0,0,0|0,0,1]=3 3041 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,1,0,0,0,0|0,0,1]=3 3042 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|0,0,1]=3 3043 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|0,0,1]=3 3044 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|0,0,1]=3 3045 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,1,0,0,0,0|0,1,1]=4 3046 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,1,0,0,0,0|0,1,1]=4 3047 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|0,1,1]=4 3048 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|0,1,1]=4 3049 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 3050 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 3051 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|2,0,0]=4 3052 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|2,0,0]=4 3053 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,1,0,0,0,0|2,0,0]=4 3054 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,1,0,0,0,0|2,0,0]=4 3055 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|2,0,0]=4 3056 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|2,0,0]=4 3057 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,1,0,0,0,0|1,0,1]=4 3058 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,1,0,0,0,0|1,0,1]=4 3059 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,1,0,0,0,0|1,0,1]=4 3060 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,1,0,0,0,0|1,0,1]=4 3061 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,1,0,0,0,0|1,0,1]=4 3062 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,1,0,0,0,0|1,0,1]=4 3063 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,1,0,0,0,0|1,0,1]=4 3064 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,1,0,0,0,0|1,0,1]=4 3065 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [1,1,0,0,0,0|2,0,0]=4 3066 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,1,0,0,0,0|2,0,0]=4 3067 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,1,0,0,0,0|1,0,0]=3 3068 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [1,1,0,0,0,0|2,0,0]=4 3069 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [1,1,0,0,0,0|2,0,0]=4 3070 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [1,1,0,0,0,0|2,0,0]=4 3071 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [1,1,0,0,0,0|2,0,0]=4 3072 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [1,1,0,0,0,0|2,0,0]=4 3073 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [1,1,0,0,0,0|2,0,0]=4 3074 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [1,1,0,0,0,0|1,0,1]=4 3075 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,1,0,0,0,0|1,0,1]=4 3076 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,1,0,0,0,0|1,0,1]=4 3077 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|1,0,1]=4 3078 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|1,0,1]=4 3079 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|1,0,1]=4 3080 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 3081 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 3082 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 3083 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|1,0,1]=4 3084 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|1,0,1]=4 3085 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|1,0,1]=4 3086 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|1,0,1]=4 3087 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|1,0,1]=4 3088 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|1,0,1]=4 3089 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|1,0,1]=4 3090 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|1,0,1]=4 3091 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|1,0,1]=4 3092 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,1,0,0,0,0|2,0,0]=4 3093 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|0,0,1]=3 3094 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|0,0,1]=3 3095 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|0,0,1]=3 3096 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|1,0,1]=4 3097 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,1,0,0,0,0|1,0,1]=4 3098 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,1,0,0,0,0|1,0,1]=4 3099 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,1,0,0,0,0|1,0,1]=4 3100 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,1,0,0,0,0|1,0,1]=4 3101 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,1,0,0,0,0|1,0,1]=4 3102 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|0,1,1]=4 3103 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|0,1,1]=4 3104 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 3105 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 3106 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,1,0,0,0,0|2,0,0]=4 3107 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,1,0,0,0,0|2,0,0]=4 3108 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,1,0,0,0,0|2,0,0]=4 3109 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,1,0,0,0,0|2,0,0]=4 3110 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,1,0,0,0,0|2,0,0]=4 3111 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,1,0,0,0,0|1,0,1]=4 3112 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,1,0,0,0,0|1,0,1]=4 3113 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|0,0,1]=3 3114 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|1,0,1]=4 3115 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|1,0,1]=4 3116 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,1,0,0,0,0|0,0,1]=3 3117 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,1,0,0,0,0|0,0,1]=3 3118 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,1,0,0,0,0|0,0,1]=3 3119 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,1,0,0,0,0|0,0,1]=3 3120 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,1,0,0,0,0|0,0,1]=3 3121 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,1,0,0,0,0|0,0,1]=3 3122 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [1,1,0,0,0,0|0,1,1]=4 3123 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,1,0,0,0,0|0,0,1]=3 3124 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,1,0,0,0,0|1,0,1]=4 3125 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,1,0,0,0,0|1,0,1]=4 3126 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,1,0,0,0,0|1,0,1]=4 3127 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|1,0,1]=4 3128 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,1,0,0,0,0|1,0,1]=4 3129 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,1,0,0,0,0|1,0,1]=4 3130 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,1,0,0,0,0|0,0,1]=3 3131 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,1,0,0,0,0|1,0,1]=4 3132 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,1,0,0,0,0|1,0,1]=4 3133 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,1,0,0,0,0|1,0,1]=4 3134 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,1,0,0,0,0|1,0,1]=4 3135 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,1,0,0,0,0|1,0,1]=4 3136 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,1,0,0,0,0|1,0,1]=4 3137 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,1,0,0,0,0|1,0,1]=4 3138 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,1,0,0,0,0|1,0,1]=4 3139 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,1,0,0,0,0|0,0,1]=3 3140 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,1,0,0,0,0|0,0,1]=3 3141 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,1,0,0,0,0|1,0,1]=4 3142 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,1,0,0,0,0|1,0,1]=4 3143 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [1,1,0,0,0,0|1,0,1]=4 3144 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [1,1,0,0,0,0|1,0,1]=4 3145 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|0,1,1]=4 3146 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|0,1,1]=4 3147 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,1,0,0,0,0|0,1,1]=4 3148 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,1,0,0,0,0|0,1,1]=4 3149 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,1,0,0,0,0|0,1,1]=4 3150 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,1,0,0,0,0|0,1,1]=4 3151 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,1,0,0,0,0|0,1,1]=4 3152 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,1,0,0,0,0|1,0,1]=4 3153 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,1]=4 3154 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,1]=4 3155 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,1,0,0,0,0|2,0,0]=4 3156 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3157 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,1,0,0,0,0|2,0,0]=4 3158 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,1,0,0,0,0|2,0,0]=4 3159 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3160 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,1,0,0,0,0|2,0,0]=4 3161 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,1,0,0,0,0|2,0,0]=4 3162 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,1,0,0,0,0|1,0,1]=4 3163 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,1,0,0,0,0|0,1,1]=4 3164 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,1,0,0,0,0|0,1,1]=4 3165 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 3166 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,1,0,0,0,0|2,0,0]=4 3167 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 3168 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,1,0,0,0,0|2,0,0]=4 3169 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,1,0,0,0,0|2,0,0]=4 3170 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,1,0,0,0,0|0,0,1]=3 3171 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,1,0,0,0,0|1,0,1]=4 3172 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,1,0,0,0,0|1,0,1]=4 3173 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,1,0,0,0,0|1,0,1]=4 3174 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,1,0,0,0,0|0,1,1]=4 3175 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,1,0,0,0,0|0,1,1]=4 3176 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,1,0,0,0,0|1,0,1]=4 3177 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,1,0,0,0,0|1,0,1]=4 3178 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,1]=4 3179 B9R0.38 CCOCCCS(=O)(=O)C 34a_100000689940_100000210202 [1,1,0,0,0,0|1,0,1]=4 3180 B9R0.38 CCOCCCS(=O)(=O)C 34a_100121572206_100000754308 [1,1,0,0,0,0|1,0,1]=4 3181 B9R0.38 CCOCCCS(=O)(=O)C 7a_100000689940_100000210202 [1,1,0,0,0,0|1,0,1]=4 3182 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [1,1,0,0,0,0|1,0,1]=4 3183 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [1,1,0,0,0,0|0,0,2]=4 3184 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [1,1,0,0,0,0|1,0,1]=4 3185 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [1,1,0,0,0,0|0,0,2]=4 3186 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|1,0,0]=3 3187 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,1,0,0,0,0|1,0,0]=3 3188 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,1,0,0,0,0|1,0,1]=4 3189 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [1,1,0,0,0,0|1,0,1]=4 3190 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,1,0,0,0,0|1,0,1]=4 3191 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,1,0,0,0,0|1,0,1]=4 3192 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,1,0,0,0,0|1,0,1]=4 3193 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,1,0,0,0,0|1,0,1]=4 3194 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|1,0,1]=4 3195 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|1,0,1]=4 3196 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|1,0,1]=4 3197 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|1,0,1]=4 3198 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|1,0,1]=4 3199 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 3200 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 3201 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 3202 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,1,0,0,0,0|2,0,0]=4 3203 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,1,0,0,0,0|2,0,0]=4 3204 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|2,0,0]=4 3205 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|2,0,0]=4 3206 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,1,0,0,0,0|2,0,0]=4 3207 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,1,0,0,0,0|2,0,0]=4 3208 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,1,0,0,0,0|2,0,0]=4 3209 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,1,0,0,0,0|2,0,0]=4 3210 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,1,0,0,0,0|2,0,0]=4 3211 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3212 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,1,0,0,0,0|2,0,0]=4 3213 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,1,0,0,0,0|1,0,1]=4 3214 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,1,0,0,0,0|1,0,1]=4 3215 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,1,0,0,0,0|1,0,1]=4 3216 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,1,0,0,0,0|1,0,1]=4 3217 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|0,0,1]=3 3218 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|0,0,1]=3 3219 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,1,0,0,0,0|0,0,1]=3 3220 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [1,1,0,0,0,0|1,0,1]=4 3221 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,1,0,0,0,0|0,0,1]=3 3222 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 3223 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,1,0,0,0,0|1,0,1]=4 3224 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 3225 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,1,0,0,0,0|1,0,1]=4 3226 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 3227 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,1,0,0,0,0|1,0,1]=4 3228 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,1,0,0,0,0|1,0,1]=4 3229 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,1,0,0,0,0|1,0,1]=4 3230 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,1,0,0,0,0|1,0,1]=4 3231 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,1,0,0,0,0|1,0,1]=4 3232 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,1,0,0,0,0|1,0,1]=4 3233 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,1,0,0,0,0|1,0,1]=4 3234 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,1,0,0,0,0|1,0,1]=4 3235 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,1,0,0,0,0|1,0,1]=4 3236 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,1,0,0,0,0|1,0,1]=4 3237 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|1,0,1]=4 3238 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,1,0,0,0,0|1,0,1]=4 3239 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,1,0,0,0,0|1,0,1]=4 3240 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,1,0,0,0,0|1,0,1]=4 3241 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,1,0,0,0,0|1,0,1]=4 3242 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [1,1,0,0,0,0|1,0,1]=4 3243 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [1,1,0,0,0,0|1,0,1]=4 3244 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [1,1,0,0,0,0|1,0,1]=4 3245 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [1,1,0,0,0,0|1,0,1]=4 3246 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,1,0,0,0,0|0,1,1]=4 3247 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,1,0,0,0,0|0,1,1]=4 3248 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,1,0,0,0,0|0,1,1]=4 3249 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,1,0,0,0,0|0,1,1]=4 3250 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|1,0,1]=4 3251 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|1,0,1]=4 3252 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|1,0,1]=4 3253 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,1,0,0,0,0|2,0,0]=4 3254 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,1,0,0,0,0|2,0,0]=4 3255 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [1,1,0,0,0,0|1,0,1]=4 3256 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [1,1,0,0,0,0|1,0,1]=4 3257 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|1,0,1]=4 3258 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|1,0,1]=4 3259 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,1,0,0,0,0|1,0,1]=4 3260 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|0,0,2]=4 3261 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,1,0,0,0,0|0,0,2]=4 3262 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,1,0,0,0,0|0,0,1]=3 3263 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,1,0,0,0,0|0,0,1]=3 3264 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,1,0,0,0,0|0,0,1]=3 3265 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,1,0,0,0,0|0,1,1]=4 3266 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,1,0,0,0,0|0,1,1]=4 3267 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,1,0,0,0,0|2,0,0]=4 3268 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,1,0,0,0,0|2,0,0]=4 3269 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 3270 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 3271 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 3272 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 3273 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|2,0,0]=4 3274 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|2,0,0]=4 3275 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|2,0,0]=4 3276 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|2,0,0]=4 3277 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|2,0,0]=4 3278 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|2,0,0]=4 3279 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [1,1,0,0,0,0|1,0,1]=4 3280 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [1,1,0,0,0,0|1,0,1]=4 3281 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [1,1,0,0,0,0|1,0,1]=4 3282 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [1,1,0,0,0,0|1,0,1]=4 3283 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [1,1,0,0,0,0|1,0,1]=4 3284 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [1,1,0,0,0,0|1,0,1]=4 3285 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [1,1,0,0,0,0|1,0,1]=4 3286 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|1,0,1]=4 3287 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [1,1,0,0,0,0|1,0,1]=4 3288 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [1,1,0,0,0,0|1,0,1]=4 3289 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [1,1,0,0,0,0|1,0,1]=4 3290 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [1,1,0,0,0,0|1,0,1]=4 3291 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [1,1,0,0,0,0|1,0,0]=3 3292 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [1,1,0,0,0,0|1,0,0]=3 3293 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [1,1,0,0,0,0|1,0,0]=3 3294 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [1,1,0,0,0,0|2,0,0]=4 3295 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [1,1,0,0,0,0|2,0,0]=4 3296 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [1,1,0,0,0,0|2,0,0]=4 3297 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [1,1,0,0,0,0|2,0,0]=4 3298 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [1,1,0,0,0,0|2,0,0]=4 3299 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [1,1,0,0,0,0|1,0,0]=3 3300 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [1,1,0,0,0,0|1,0,0]=3 3301 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [1,1,0,0,0,0|2,0,0]=4 3302 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [1,1,0,0,0,0|2,0,0]=4 3303 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [1,1,0,0,0,0|2,0,0]=4 3304 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [1,1,0,0,0,0|2,0,0]=4 3305 B9R0.7 C=C(C)CNC(=O)C(C)F 11a_100000765925_100000062450 [1,1,0,0,0,0|2,0,0]=4 3306 B9R0.7 C=C(C)CNC(=O)C(C)F 1626a_100000765925_100000062450 [1,1,0,0,0,0|2,0,0]=4 3307 B9R0.7 C=C(C)CNC(=O)C(C)F 240690a_100000765925_100000062450 [1,1,0,0,0,0|2,0,0]=4 3308 B9R0.7 C=C(C)CNC(=O)C(C)F 527a_100000765925_100000062450 [1,1,0,0,0,0|2,0,0]=4 3309 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [1,1,0,0,0,0|2,0,0]=4 3310 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [1,1,0,0,0,0|2,0,0]=4 3311 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [1,1,0,0,0,0|2,0,0]=4 3312 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [1,1,0,0,0,0|1,0,1]=4 3313 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [1,1,0,0,0,0|1,0,1]=4 3314 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [1,1,0,0,0,0|1,0,1]=4 3315 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [1,1,0,0,0,0|1,0,1]=4 3316 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [1,1,0,0,0,0|1,0,1]=4 3317 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [1,1,0,0,0,0|1,0,0]=3 3318 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [1,1,0,0,0,0|2,0,0]=4 3319 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [1,1,0,0,0,0|2,0,0]=4 3320 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [1,1,0,0,0,0|1,0,0]=3 3321 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [1,1,0,0,0,0|1,0,0]=3 3322 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [1,1,0,0,0,0|1,0,0]=3 3323 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [1,1,0,0,0,0|2,0,0]=4 3324 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [1,1,0,0,0,0|2,0,0]=4 3325 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [1,1,0,0,0,0|2,0,0]=4 3326 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [1,1,0,0,0,0|2,0,0]=4 3327 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [1,1,0,0,0,0|2,0,0]=4 3328 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [1,1,0,0,0,0|2,0,0]=4 3329 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [1,1,0,0,0,0|2,0,0]=4 3330 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [1,1,0,0,0,0|2,0,0]=4 3331 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [1,1,0,0,0,0|2,0,0]=4 3332 B9R0.7 CC(=O)NNC(=O)C(C)F 22a_100000189765_100000062450 [1,1,0,0,0,0|2,0,0]=4 3333 B9R0.7 CC(=O)NNC(=O)[C@@H](C)O 22a_100000189765_100000717761 [1,1,0,0,0,0|2,0,0]=4 3334 B9R0.7 CC(=O)NNC(=O)[C@H](C)O 22a_100000189765_217856618621 [1,1,0,0,0,0|2,0,0]=4 3335 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [1,1,0,0,0,0|1,0,0]=3 3336 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [1,1,0,0,0,0|2,0,0]=4 3337 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [1,1,0,0,0,0|2,0,0]=4 3338 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [1,1,0,0,0,0|2,0,0]=4 3339 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [1,1,0,0,0,0|1,0,0]=3 3340 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [1,1,0,0,0,0|2,0,0]=4 3341 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [1,1,0,0,0,0|2,0,0]=4 3342 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [1,1,0,0,0,0|2,0,0]=4 3343 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [1,1,0,0,0,0|1,0,0]=3 3344 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [1,1,0,0,0,0|2,0,0]=4 3345 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [1,1,0,0,0,0|2,0,0]=4 3346 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [1,1,0,0,0,0|2,0,0]=4 3347 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [1,1,0,0,0,0|2,0,0]=4 3348 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [1,1,0,0,0,0|2,0,0]=4 3349 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [1,1,0,0,0,0|2,0,0]=4 3350 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [1,1,0,0,0,0|1,0,0]=3 3351 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [1,1,0,0,0,0|1,0,1]=4 3352 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [1,1,0,0,0,0|1,0,1]=4 3353 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [1,1,0,0,0,0|1,0,1]=4 3354 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [1,1,0,0,0,0|1,0,1]=4 3355 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [1,1,0,0,0,0|1,0,1]=4 3356 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [1,1,0,0,0,0|2,0,0]=4 3357 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [1,1,0,0,0,0|2,0,0]=4 3358 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [1,1,0,0,0,0|2,0,0]=4 3359 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [1,1,0,0,0,0|2,0,0]=4 3360 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [1,1,0,0,0,0|0,0,2]=4 3361 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [1,1,0,0,0,0|0,0,2]=4 3362 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [1,1,0,0,0,0|0,0,2]=4 3363 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [1,1,0,0,0,0|0,0,2]=4 3364 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [1,1,0,0,0,0|2,0,0]=4 3365 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [1,1,0,0,0,0|2,0,0]=4 3366 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [1,1,0,0,0,0|1,0,0]=3 3367 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [1,1,0,0,0,0|2,0,0]=4 3368 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [1,1,0,0,0,0|2,0,0]=4 3369 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [1,1,0,0,0,0|1,0,1]=4 3370 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [1,1,0,0,0,0|1,0,1]=4 3371 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [1,1,0,0,0,0|1,0,1]=4 3372 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [1,1,0,0,0,0|1,0,0]=3 3373 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [1,1,0,0,0,0|1,0,0]=3 3374 B9R0.21 CCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210202 [1,1,0,0,0,0|2,0,0]=4 3375 B9R0.21 CCC(=O)CCS(=O)(=O)[O-] 1458a_100000210414_100000762736 [1,1,0,0,0,0|2,0,0]=4 3376 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [1,1,0,0,0,0|2,0,0]=4 3377 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [1,1,0,0,0,0|1,1,0]=4 3378 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [1,1,0,0,0,0|1,1,0]=4 3379 B9R0.21 CCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210202 [1,1,0,0,0,0|2,0,0]=4 3380 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [1,1,0,0,0,0|2,0,0]=4 3381 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [1,1,0,0,0,0|2,0,0]=4 3382 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [1,1,0,0,0,0|2,0,0]=4 3383 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [1,1,0,0,0,0|2,0,0]=4 3384 B9R0.21 CS(=O)(=O)CCC(=O)CF 1458a_100000737124_100015361967 [1,1,0,0,0,0|2,0,0]=4 3385 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [1,1,0,0,0,0|2,0,0]=4 3386 B9R0.23 C=C(C)CN(C)C(=O)CC 11a_100000225649_100000210414 [1,1,0,0,0,0|2,0,0]=4 3387 B9R0.23 C=C(C)CN(C)C(=O)CC 1626a_100000225649_100000210414 [1,1,0,0,0,0|2,0,0]=4 3388 B9R0.23 C=C(C)CN(C)C(=O)CC 527a_100000225649_100000210414 [1,1,0,0,0,0|2,0,0]=4 3389 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [1,1,0,0,0,0|2,0,0]=4 3390 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [1,1,0,0,0,0|2,0,0]=4 3391 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [1,1,0,0,0,0|2,0,0]=4 3392 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [1,1,0,0,0,0|1,0,1]=4 3393 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [1,1,0,0,0,0|2,0,0]=4 3394 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [1,1,0,0,0,0|1,0,0]=3 3395 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [1,1,0,0,0,0|2,0,0]=4 3396 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [1,1,0,0,0,0|2,0,0]=4 3397 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [1,1,0,0,0,0|1,0,0]=3 3398 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [1,1,0,0,0,0|1,0,1]=4 3399 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [1,1,0,0,0,0|1,0,0]=3 3400 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [1,1,0,0,0,0|2,0,0]=4 3401 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [1,1,0,0,0,0|2,0,0]=4 3402 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [1,1,0,0,0,0|2,0,0]=4 3403 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [1,1,0,0,0,0|2,0,0]=4 3404 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [1,1,0,0,0,0|2,0,0]=4 3405 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [1,1,0,0,0,0|2,0,0]=4 3406 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [1,1,0,0,0,0|2,0,0]=4 3407 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [1,1,0,0,0,0|2,0,0]=4 3408 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [1,1,0,0,0,0|2,0,0]=4 3409 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [1,1,0,0,0,0|2,0,0]=4 3410 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [1,1,0,0,0,0|2,0,0]=4 3411 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [1,1,0,0,0,0|2,0,0]=4 3412 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [1,1,0,0,0,0|2,0,0]=4 3413 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [1,1,0,0,0,0|2,0,0]=4 3414 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [1,1,0,0,0,0|1,0,0]=3 3415 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3416 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [1,1,0,0,0,0|0,0,2]=4 3417 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [1,1,0,0,0,0|0,0,0]=2 3418 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|0,0,0]=2 3419 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|1,0,1]=4 3420 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,1,0,0,0,0|2,0,0]=4 3421 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [1,1,0,0,0,0|1,0,0]=3 3422 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [1,1,0,0,0,0|1,0,0]=3 3423 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [1,1,0,0,0,0|1,0,0]=3 3424 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [1,1,0,0,0,0|1,0,0]=3 3425 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [1,1,0,0,0,0|1,0,0]=3 3426 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [1,1,0,0,0,0|1,0,0]=3 3427 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [1,1,0,0,0,0|1,0,0]=3 3428 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [1,1,0,0,0,0|1,0,0]=3 3429 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [1,1,0,0,0,0|1,0,0]=3 3430 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [1,1,0,0,0,0|1,0,0]=3 3431 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [1,1,0,0,0,0|1,0,0]=3 3432 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [1,1,0,0,0,0|1,0,0]=3 3433 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [1,1,0,0,0,0|2,0,0]=4 3434 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [1,1,0,0,0,0|2,0,0]=4 3435 B9R0.24 CCC(=O)NNC(=O)NC 273464a_100102657272_100000183195 [1,1,0,0,0,0|2,0,0]=4 3436 B9R0.24 CCC(=O)NNC(=O)NC 512a_106832991638_100000183195 [1,1,0,0,0,0|2,0,0]=4 3437 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [1,1,0,0,0,0|1,0,1]=4 3438 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,1,0,0,0,0|1,0,1]=4 3439 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,1,0,0,0,0|1,0,1]=4 3440 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,1,0,0,0,0|1,0,1]=4 3441 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,1,0,0,0,0|1,0,1]=4 3442 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,1,0,0,0,0|0,0,2]=4 3443 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,1,0,0,0,0|0,0,2]=4 3444 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [1,1,0,0,0,0|2,0,0]=4 3445 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 3446 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [1,1,0,0,0,0|2,0,0]=4 3447 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [1,1,0,0,0,0|2,0,0]=4 3448 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 3449 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [1,1,0,0,0,0|2,0,0]=4 3450 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [1,1,0,0,0,0|2,0,0]=4 3451 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [1,1,0,0,0,0|2,0,0]=4 3452 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [1,1,0,0,0,0|2,0,0]=4 3453 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [1,1,0,0,0,0|2,0,0]=4 3454 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [1,1,0,0,0,0|2,0,0]=4 3455 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [1,1,0,0,0,0|2,0,0]=4 3456 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [1,1,0,0,0,0|2,0,0]=4 3457 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [1,1,0,0,0,0|1,0,0]=3 3458 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [1,1,0,0,0,0|1,0,0]=3 3459 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [1,1,0,0,0,0|1,0,0]=3 3460 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [1,1,0,0,0,0|1,0,0]=3 3461 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [1,1,0,0,0,0|1,0,0]=3 3462 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [1,1,0,0,0,0|0,0,2]=4 3463 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [1,1,0,0,0,0|1,0,0]=3 3464 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [1,1,0,0,0,0|1,0,0]=3 3465 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [1,1,0,0,0,0|1,0,0]=3 3466 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [1,1,0,0,0,0|1,0,0]=3 3467 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [1,1,0,0,0,0|1,0,0]=3 3468 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [1,1,0,0,0,0|0,0,0]=2 3469 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [1,1,0,0,0,0|0,0,0]=2 3470 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [1,1,0,0,0,0|0,0,0]=2 3471 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [1,1,0,0,0,0|0,0,0]=2 3472 B9R0.24 CNC(=O)CNC(=O)CO 240690a_100000693194_100000210174 [1,1,0,0,0,0|2,0,0]=4 3473 B9R0.24 CNC(=O)CNC(=O)CO 527a_100000693194_100000210174 [1,1,0,0,0,0|2,0,0]=4 3474 B9R0.24 CNC(=O)CNC(=O)NC 2708a_100102657272_100000693194 [1,1,0,0,0,0|2,0,0]=4 3475 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100000693194_100102657272 [1,1,0,0,0,0|2,0,0]=4 3476 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100102657272_100000693194 [1,1,0,0,0,0|2,0,0]=4 3477 B9R0.24 CNC(=O)CNC(=O)NC 512a_106832991638_100000693194 [1,1,0,0,0,0|2,0,0]=4 3478 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [1,1,0,0,0,0|1,0,0]=3 3479 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [1,1,0,0,0,0|1,0,0]=3 3480 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [1,1,0,0,0,0|1,0,0]=3 3481 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [1,1,0,0,0,0|1,0,0]=3 3482 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [1,1,0,0,0,0|0,0,0]=2 3483 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [1,1,0,0,0,0|2,0,0]=4 3484 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [1,1,0,0,0,0|1,0,0]=3 3485 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3486 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [1,1,0,0,0,0|1,0,1]=4 3487 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [1,1,0,0,0,0|1,0,1]=4 3488 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [1,1,0,0,0,0|1,0,1]=4 3489 B9R0.42 CC(=O)N(C)CC(=O)CF 1458a_100000194957_100015361967 [1,1,0,0,0,0|2,0,0]=4 3490 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [1,1,0,0,0,0|0,0,1]=3 3491 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [1,1,0,0,0,0|2,0,0]=4 3492 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [1,1,0,0,0,0|1,0,0]=3 3493 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [1,1,0,0,0,0|2,0,0]=4 3494 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [1,1,0,0,0,0|1,0,0]=3 3495 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [1,1,0,0,0,0|1,0,0]=3 3496 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [1,1,0,0,0,0|2,0,0]=4 3497 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [1,1,0,0,0,0|2,0,0]=4 3498 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [1,1,0,0,0,0|2,0,0]=4 3499 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [1,1,0,0,0,0|2,0,0]=4 3500 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [1,1,0,0,0,0|2,0,0]=4 3501 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [1,1,0,0,0,0|2,0,0]=4 3502 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [1,1,0,0,0,0|2,0,0]=4 3503 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [1,1,0,0,0,0|2,0,0]=4 3504 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [1,1,0,0,0,0|2,0,0]=4 3505 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [1,1,0,0,0,0|2,0,0]=4 3506 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [1,1,0,0,0,0|2,0,0]=4 3507 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [1,1,0,0,0,0|2,0,0]=4 3508 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [1,1,0,0,0,0|0,0,0]=2 3509 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [1,1,0,0,0,0|0,0,0]=2 3510 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [1,1,0,0,0,0|2,0,0]=4 3511 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [1,1,0,0,0,0|2,0,0]=4 3512 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [1,1,0,0,0,0|1,0,0]=3 3513 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [1,1,0,0,0,0|1,0,0]=3 3514 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [1,1,0,0,0,0|1,0,0]=3 3515 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [1,1,0,0,0,0|1,0,0]=3 3516 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [1,1,0,0,0,0|2,0,0]=4 3517 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [1,1,0,0,0,0|2,0,0]=4 3518 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [1,1,0,0,0,0|2,0,0]=4 3519 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [1,1,0,0,0,0|2,0,0]=4 3520 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [1,1,0,0,0,0|2,0,0]=4 3521 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [1,1,0,0,0,0|0,0,2]=4 3522 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [1,1,0,0,0,0|0,0,2]=4 3523 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [1,1,0,0,0,0|0,0,2]=4 3524 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [1,1,0,0,0,0|1,0,0]=3 3525 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,1,0,0,1,0|1,0,1]=4 3526 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,1,0|2,0,0]=4 3527 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,1,0,0,1,0|1,0,1]=4 3528 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,1,0|1,0,0]=3 3529 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,1,0|2,0,0]=4 3530 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,0,0,1,0|2,0,0]=4 3531 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,0,0,1,0|2,0,0]=4 3532 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,1,0|1,0,0]=3 3533 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,1,0|0,0,0]=2 3534 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,1,0|0,0,0]=2 3535 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,1,0|0,0,0]=2 3536 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,1,0|2,0,0]=4 3537 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,1,0|2,0,0]=4 3538 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,1,0|0,0,0]=2 3539 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,1,0|2,0,0]=4 3540 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,1,0|2,0,0]=4 3541 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,0,0,1,0|2,0,0]=4 3542 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,0,0,1,0|2,0,0]=4 3543 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,1,0,0,1,0|2,0,0]=4 3544 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,1,0,0,1,0|2,0,0]=4 3545 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,1,0,0,1,0|2,0,0]=4 3546 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,1,0,0,1,0|2,0,0]=4 3547 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,1,0|2,0,0]=4 3548 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,0,0,1,0|2,0,0]=4 3549 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,1,0|1,0,1]=4 3550 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,1,0|1,0,0]=3 3551 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,1,0|0,0,0]=2 3552 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,1,0|2,0,0]=4 3553 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,1,0|2,0,0]=4 3554 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,1,0|2,0,0]=4 3555 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,1,0|2,0,0]=4 3556 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,1,0|2,0,0]=4 3557 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,1,0,0,1,0|2,0,0]=4 3558 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,1,0,0,1,0|2,0,0]=4 3559 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,0,0,1,0|2,0,0]=4 3560 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,0,0,1,0|2,0,0]=4 3561 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,0,0,1,0|2,0,0]=4 3562 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,1,0,0,1,0|1,0,1]=4 3563 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,1,0,0,1,0|1,1,0]=4 3564 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,1,0,0,0,1|1,0,0]=3 3565 B11R0.1 C=C(C)CN(C)CC(=O)CCC 2230a_100000225649_100000747444 [0,1,0,0,0,1|2,0,0]=4 3566 B11R0.1 C=C(C)CN(C)CC(=O)CCC 269982a_100000225649_100000747444 [0,1,0,0,0,1|2,0,0]=4 3567 B11R0.1 C=C(C)CN(C)CC(=O)NCC 2230a_100000225649_100000183381 [0,1,0,0,0,1|2,0,0]=4 3568 B11R0.1 C=C(C)CN(C)CC(=O)NCC 2230a_100000741943_100000748629 [0,1,0,0,0,1|2,0,0]=4 3569 B11R0.1 C=C(C)CN(C)CC(=O)NCC 269982a_100000225649_100000183381 [0,1,0,0,0,1|2,0,0]=4 3570 B11R0.1 C=C(C)CN(C)CC(=O)NCC 269982a_100000741943_100000748629 [0,1,0,0,0,1|2,0,0]=4 3571 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000220588_100000748629 [0,1,0,0,0,1|1,0,0]=3 3572 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000225649_100000188475 [0,1,0,0,0,1|1,0,0]=3 3573 B11R0.1 C=C(C)CN(C)CC(=O)OCC 269982a_100000225649_100000188475 [0,1,0,0,0,1|1,0,0]=3 3574 B11R0.1 C=C(F)CC(=O)CC(=O)OCC 1458a_100000243816_100009893438 [0,1,0,0,0,1|1,0,1]=4 3575 B11R0.1 C=C(F)CN(C)CC(=O)OCC 2230a_100000220588_100009893438 [0,1,0,0,0,1|1,0,1]=4 3576 B11R0.1 CCCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747444 [0,1,0,0,0,1|2,0,0]=4 3577 B11R0.1 CCCC(=O)CC(=O)NC(=O)C 1458a_100000211992_100000183797 [0,1,0,0,0,1|1,0,1]=4 3578 B11R0.1 CCCC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747444 [0,1,0,0,0,1|2,0,0]=4 3579 B11R0.1 CCCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747444 [0,1,0,0,0,1|2,0,0]=4 3580 B11R0.1 CCNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000183381 [0,1,0,0,0,1|2,0,0]=4 3581 B11R0.1 CCNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183381 [0,1,0,0,0,1|2,0,0]=4 3582 B11R0.1 CCNC(=O)CN(C)CC(=O)N 2230a_100000741943_100000747473 [0,1,0,0,0,1|2,0,0]=4 3583 B11R0.1 CCNC(=O)CN(C)CC(=O)N 269982a_100000741943_100000187820 [0,1,0,0,0,1|2,0,0]=4 3584 B11R0.1 CCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183381 [0,1,0,0,0,1|2,0,0]=4 3585 B11R0.1 CCNC(=O)CN(C)CC(=O)[O-] 269982a_100000741943_100020667443 [0,1,0,0,0,1|2,0,0]=4 3586 B11R0.1 CCNC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000183762 [0,1,0,0,0,1|1,0,1]=4 3587 B11R0.1 CCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000188475 [0,1,0,0,0,1|1,0,1]=4 3588 B11R0.1 CCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000188475 [0,1,0,0,0,1|1,0,1]=4 3589 B11R0.1 CCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000188475 [0,1,0,0,0,1|1,0,1]=4 3590 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100000243816_100000187820 [0,1,0,0,0,1|1,0,0]=3 3591 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000188475 [0,1,0,0,0,1|1,0,0]=3 3592 B11R0.1 CCOC(=O)CC(=O)CC(=O)[O-] 1458a_100000243816_100020667443 [0,1,0,0,0,1|1,0,0]=3 3593 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,1|1,0,1]=4 3594 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,1|1,0,1]=4 3595 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,1,0,0,0,1|0,0,2]=4 3596 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,1,0,0,0,1|2,0,0]=4 3597 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,1,0,0,0,1|2,0,0]=4 3598 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,1,0,0,0,1|0,0,2]=4 3599 B11R0.1 CCOC(=O)CC(=O)C[N+](=O)[O-] 1458a_100000243816_100000761209 [0,1,0,0,0,1|2,0,0]=4 3600 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,1,0,0,0,1|2,0,0]=4 3601 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,1,0,0,0,1|0,0,0]=2 3602 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,1,0,0,0,1|1,0,1]=4 3603 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,1,0,0,0,1|1,0,1]=4 3604 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,1,0,0,0,1|1,0,1]=4 3605 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000220588_100000747473 [0,1,0,0,0,1|1,0,0]=3 3606 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000188475 [0,1,0,0,0,1|1,0,0]=3 3607 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,1,0,0,0,1|1,0,0]=3 3608 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,1,0,0,0,1|1,0,1]=4 3609 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,1,0,0,0,1|1,0,1]=4 3610 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,1,0,0,0,1|1,0,1]=4 3611 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,1,0,0,0,1|1,0,1]=4 3612 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,1,0,0,0,1|0,0,2]=4 3613 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,1,0,0,0,1|0,0,2]=4 3614 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,1,0,0,0,1|0,0,2]=4 3615 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,1,0,0,0,1|0,0,2]=4 3616 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,1,0,0,0,1|1,0,1]=4 3617 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,1,0,0,0,1|2,0,0]=4 3618 B11R0.1 CCOC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010344 [0,1,0,0,0,1|0,0,1]=3 3619 B11R0.6 C=C(C)CC(=O)CCNC(=O)C 1458a_100000183196_100000748629 [0,1,0,0,0,1|1,0,1]=4 3620 B11R0.6 C=C(C)CC(=O)CCSC(=O)C 1458a_100000048949_100000748629 [0,1,0,0,0,1|1,0,1]=4 3621 B11R0.6 C=C(C)CNCC(=O)NC(C)C 2230a_100000168517_100000748629 [0,1,0,0,0,1|2,0,0]=4 3622 B11R0.6 C=C(C)COCC(=O)NC(C)C 34a_100000210245_100000183996 [0,1,0,0,0,1|2,0,0]=4 3623 B11R0.6 C=C(C)COCC(=O)OC(C)C 34a_100000210245_100011215430 [0,1,0,0,0,1|1,0,0]=3 3624 B11R0.6 C=C(C)CSCC(=O)NC(C)C 62a_100000183996_100000211660 [0,1,0,0,0,1|2,0,0]=4 3625 B11R0.6 C=C(C)CSCC(=O)NC(C)C 62a_100000748629_100000183996 [0,1,0,0,0,1|2,0,0]=4 3626 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100000748629_100011215430 [0,1,0,0,0,1|1,0,0]=3 3627 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100011215430_100000211660 [0,1,0,0,0,1|1,0,0]=3 3628 B11R0.6 C=C(F)COCC(=O)OC(C)C 34a_200010262243_100011215430 [0,1,0,0,0,1|1,0,1]=4 3629 B11R0.6 C=C(F)CSCC(=O)OC(C)C 62a_100000042424_100011215430 [0,1,0,0,0,1|1,0,1]=4 3630 B11R0.6 C=C(F)CSCC(=O)OC(C)C 62a_100011215430_100000042424 [0,1,0,0,0,1|1,0,1]=4 3631 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,1,0,0,0,1|2,0,0]=4 3632 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,1,0,0,0,1|2,0,0]=4 3633 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,1,0,0,0,1|1,0,1]=4 3634 B11R0.6 CC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215641 [0,1,0,0,0,1|1,0,1]=4 3635 B11R0.6 CC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215641 [0,1,0,0,0,1|1,0,1]=4 3636 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,1,0,0,0,1|1,0,0]=3 3637 B11R0.6 CC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011215641 [0,1,0,0,0,1|2,0,0]=4 3638 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,1,0,0,0,1|1,0,0]=3 3639 B11R0.6 CC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011215641 [0,1,0,0,0,1|2,0,0]=4 3640 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,1,0,0,0,1|1,0,1]=4 3641 B11R0.6 CC(=O)COCC(=O)NC(C)C 34a_100000211253_100000183996 [0,1,0,0,0,1|1,0,0]=3 3642 B11R0.6 CC(=O)COCC(=O)OC(C)C 34a_100000211253_100011215430 [0,1,0,0,0,1|0,0,0]=2 3643 B11R0.6 CC(=O)NCCC(=O)C=C(C)C 1458a_100000211388_100000189650 [0,1,0,0,0,1|1,0,1]=4 3644 B11R0.6 CC(=O)NCCC(=O)C=C(C)Cl 1458a_200042562850_100000189650 [0,1,0,0,0,1|1,0,1]=4 3645 B11R0.6 CC(=O)NCCC(=O)C=C(C)I 1458a_100025716642_100000189650 [0,1,0,0,0,1|1,0,1]=4 3646 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000183196_100000210624 [0,1,0,0,0,1|1,0,0]=3 3647 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000210554_100000189650 [0,1,0,0,0,1|1,0,0]=3 3648 B11R0.6 CC(=O)NCCC(=O)CC(C)O 1458a_100000183196_100011218427 [0,1,0,0,0,1|1,0,0]=3 3649 B11R0.6 CC(=O)NCCC(=O)CC(F)F 1458a_100000183196_100011934356 [0,1,0,0,0,1|2,0,0]=4 3650 B11R0.6 CC(=O)NCCC(=O)CN(C)C 1458a_100000750896_100000189650 [0,1,0,0,0,1|2,0,0]=4 3651 B11R0.6 CC(=O)NCCC(=O)C[C@@H](C)O 1458a_100011933948_100000189650 [0,1,0,0,0,1|1,0,0]=3 3652 B11R0.6 CC(=O)NCCC(=O)C[S+](C)C 1458a_200159257847_100000189650 [0,1,0,0,0,1|2,0,0]=4 3653 B11R0.6 CC(=O)NCCC(=O)NC(C)C 11a_100138425928_100000183196 [0,1,0,0,0,1|1,0,0]=3 3654 B11R0.6 CC(=O)NCCC(=O)NC(C)C 1626a_100138425928_100000183196 [0,1,0,0,0,1|1,0,0]=3 3655 B11R0.6 CC(=O)NCCC(=O)NC(C)C 240690a_100138425928_100000183196 [0,1,0,0,0,1|1,0,0]=3 3656 B11R0.6 CC(=O)NCCC(=O)NC(C)C 527a_100138425928_100000183196 [0,1,0,0,0,1|1,0,0]=3 3657 B11R0.6 CC(=O)OCCC(=O)C=C(C)C 1458a_100000211388_100009814007 [0,1,0,0,0,1|1,0,1]=4 3658 B11R0.6 CC(=O)OCCC(=O)C=C(C)Cl 1458a_200042562850_100009814007 [0,1,0,0,0,1|1,0,1]=4 3659 B11R0.6 CC(=O)OCCC(=O)C=C(C)I 1458a_100025716642_100009814007 [0,1,0,0,0,1|1,0,1]=4 3660 B11R0.6 CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009814007 [0,1,0,0,0,1|1,0,0]=3 3661 B11R0.6 CC(=O)OCCC(=O)CN(C)C 1458a_100000750896_100009814007 [0,1,0,0,0,1|2,0,0]=4 3662 B11R0.6 CC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814007 [0,1,0,0,0,1|1,0,0]=3 3663 B11R0.6 CC(=O)OCCC(=O)C[S+](C)C 1458a_200159257847_100009814007 [0,1,0,0,0,1|2,0,0]=4 3664 B11R0.6 CC(=O)SCCC(=O)CC(C)C 1458a_100000048949_100000210624 [0,1,0,0,0,1|1,0,0]=3 3665 B11R0.6 CC(=O)SCCC(=O)CC(C)O 1458a_100000048949_100011218427 [0,1,0,0,0,1|1,0,0]=3 3666 B11R0.6 CC(=O)SCCC(=O)CC(F)F 1458a_100000048949_100011934356 [0,1,0,0,0,1|2,0,0]=4 3667 B11R0.6 CC(=O)SCCC(=O)NC(C)C 1626a_100138425928_100000048949 [0,1,0,0,0,1|1,0,0]=3 3668 B11R0.6 CC(=O)SCCC(=O)NC(C)C 240690a_100138425928_100000048949 [0,1,0,0,0,1|1,0,0]=3 3669 B11R0.6 CC(Br)COCC(=O)OC(C)C 34a_100012180447_100011215430 [0,1,0,0,0,1|1,0,1]=4 3670 B11R0.6 CC(C)CC(=O)CCCC(=O)N 1458a_100000210554_100102525003 [0,1,0,0,0,1|2,0,0]=4 3671 B11R0.6 CC(C)CC(=O)CCNC(=O)N 1458a_100000181464_100000210624 [0,1,0,0,0,1|2,0,0]=4 3672 B11R0.6 CC(C)CC(=O)CCNC(=O)N 1458a_100000210554_200000034859 [0,1,0,0,0,1|2,0,0]=4 3673 B11R0.6 CC(C)CC(=O)CCOC(=O)N 1458a_100000210554_200011214921 [0,1,0,0,0,1|2,0,0]=4 3674 B11R0.6 CC(C)CC(=O)COCC(=O)N 1458a_100011219004_100000210624 [0,1,0,0,0,1|2,0,0]=4 3675 B11R0.6 CC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000210554 [0,1,0,0,0,1|2,0,0]=4 3676 B11R0.6 CC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000210554 [0,1,0,0,0,1|2,0,0]=4 3677 B11R0.6 CC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000210554 [0,1,0,0,0,1|2,0,0]=4 3678 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,1,0,0,0,1|1,0,1]=4 3679 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,1,0,0,0,1|1,0,1]=4 3680 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,1,0,0,0,1|1,0,1]=4 3681 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,1,0,0,0,1|1,0,1]=4 3682 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,1,0,0,0,1|1,0,1]=4 3683 B11R0.6 CC(C)NC(=O)CCNC(=O)N 240690a_100138425928_100000181464 [0,1,0,0,0,1|2,0,0]=4 3684 B11R0.6 CC(C)NC(=O)CCNC(=O)N 527a_100138425928_100000181464 [0,1,0,0,0,1|2,0,0]=4 3685 B11R0.6 CC(C)NC(=O)CNCC(=O)N 2230a_100000168517_100000747473 [0,1,0,0,0,1|2,0,0]=4 3686 B11R0.6 CC(C)NC(=O)CNCC(=O)N 2230a_100000711301_100000183996 [0,1,0,0,0,1|2,0,0]=4 3687 B11R0.6 CC(C)NC(=O)CNCC(=O)O 269956a_100016091260_100000183996 [0,1,0,0,0,1|2,0,0]=4 3688 B11R0.6 CC(C)NC(=O)COCC(=O)N 1626a_100138425928_100011219004 [0,1,0,0,0,1|2,0,0]=4 3689 B11R0.6 CC(C)NC(=O)COCC(=O)N 240690a_100138425928_100011219004 [0,1,0,0,0,1|2,0,0]=4 3690 B11R0.6 CC(C)NC(=O)COCC(=O)N 527a_100138425928_100011219004 [0,1,0,0,0,1|2,0,0]=4 3691 B11R0.6 CC(C)NC(=O)CSCC(=O)N 11a_100138425928_100000150265 [0,1,0,0,0,1|2,0,0]=4 3692 B11R0.6 CC(C)NC(=O)CSCC(=O)N 240690a_100138425928_100000150265 [0,1,0,0,0,1|2,0,0]=4 3693 B11R0.6 CC(C)NC(=O)CSCC(=O)N 527a_100138425928_100000150265 [0,1,0,0,0,1|2,0,0]=4 3694 B11R0.6 CC(C)NC(=O)CSCC(=O)N 62a_100000183996_100000747473 [0,1,0,0,0,1|2,0,0]=4 3695 B11R0.6 CC(C)NC(=O)CSCC(=O)N 62a_100000747473_100000183996 [0,1,0,0,0,1|2,0,0]=4 3696 B11R0.6 CC(C)NC(=O)CSCC(=O)[O-] 62a_100000183996_100020667443 [0,1,0,0,0,1|2,0,0]=4 3697 B11R0.6 CC(C)NC(=O)CSCC(=O)[O-] 62a_100020667443_100000183996 [0,1,0,0,0,1|2,0,0]=4 3698 B11R0.6 CC(C)NC(=O)NCCC(=O)N 2708a_100138425928_100000740010 [0,1,0,0,0,1|2,0,0]=4 3699 B11R0.6 CC(C)NC(=O)NCCC(=O)N 273464a_100138425928_100000740010 [0,1,0,0,0,1|2,0,0]=4 3700 B11R0.6 CC(C)NC(=O)NCCC(=O)N 512a_100138425928_100000740010 [0,1,0,0,0,1|2,0,0]=4 3701 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,1,0,0,0,1|1,0,1]=4 3702 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,1,0,0,0,1|1,0,1]=4 3703 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,1,0,0,0,1|1,0,1]=4 3704 B11R0.6 CC(C)OC(=O)CNCC(=O)N 2230a_100000711301_100011215430 [0,1,0,0,0,1|1,0,0]=3 3705 B11R0.6 CC(C)OC(=O)CNCC(=O)O 269956a_100016091260_100011215430 [0,1,0,0,0,1|1,0,0]=3 3706 B11R0.6 CC(C)OC(=O)COC[C@@H](C)Cl 34a_100016084084_100011215430 [0,1,0,0,0,1|1,0,1]=4 3707 B11R0.6 CC(C)OC(=O)COC[C@@H](C)N 34a_100000737577_100011215430 [0,1,0,0,0,1|1,0,1]=4 3708 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100000747473_100011215430 [0,1,0,0,0,1|1,0,0]=3 3709 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100011215430_100000747473 [0,1,0,0,0,1|1,0,0]=3 3710 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100011215430_100020667443 [0,1,0,0,0,1|1,0,0]=3 3711 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100020667443_100011215430 [0,1,0,0,0,1|1,0,0]=3 3712 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100009817552_100011215430 [0,1,0,0,0,1|0,0,2]=4 3713 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100011215430_100009817552 [0,1,0,0,0,1|0,0,2]=4 3714 B11R0.6 CC(C)OC(=O)CSC[N+](=O)[O-] 62a_100011215430_100000761209 [0,1,0,0,0,1|2,0,0]=4 3715 B11R0.6 CC(F)COCC(=O)OC(C)C 34a_100015925927_100011215430 [0,1,0,0,0,1|1,0,1]=4 3716 B11R0.6 CC(O)CC(=O)CCNC(=O)N 1458a_100000181464_100011218427 [0,1,0,0,0,1|2,0,0]=4 3717 B11R0.6 CC(O)CC(=O)COCC(=O)N 1458a_100011219004_100011218427 [0,1,0,0,0,1|2,0,0]=4 3718 B11R0.6 CC(O)CNCC(=O)OC(C)C 2230a_100000210904_100011215430 [0,1,0,0,0,1|0,0,2]=4 3719 B11R0.6 CC(O)CNCC(=O)OC(C)C 34a_100000210904_100011215430 [0,1,0,0,0,1|0,0,2]=4 3720 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218427 [0,1,0,0,0,1|0,0,2]=4 3721 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011218427_100011215430 [0,1,0,0,0,1|0,0,2]=4 3722 B11R0.6 C[C@@H](O)CC(=O)CCCC(=O)N 1458a_100011933948_100102525003 [0,1,0,0,0,1|2,0,0]=4 3723 B11R0.6 C[C@@H](O)CC(=O)CCNC(=O)N 1458a_100011933948_200000034859 [0,1,0,0,0,1|2,0,0]=4 3724 B11R0.6 C[C@@H](O)CC(=O)CCOC(=O)N 1458a_100011933948_200011214921 [0,1,0,0,0,1|2,0,0]=4 3725 B11R0.6 C[C@@H](O)CC(=O)NCCC(=O)N 240690a_100000740010_100011933948 [0,1,0,0,0,1|2,0,0]=4 3726 B11R0.59 C=C(C)CCC(=O)C(=O)NCC 1458a_200011297158_100000730704 [0,1,0,0,0,1|2,0,0]=4 3727 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 11a_100000765925_100014798877 [0,1,0,0,0,1|1,0,1]=4 3728 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 1626a_100000765925_100014798877 [0,1,0,0,0,1|1,0,1]=4 3729 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 240690a_100000765925_100014798877 [0,1,0,0,0,1|1,0,1]=4 3730 B11R0.59 C=C(C)CNC(C)C(=O)NCC 2230a_100000736553_100000748629 [0,1,0,0,0,1|2,0,0]=4 3731 B11R0.59 C=C(C)CNC(C)C(=O)NCC 34a_100000736553_100000748629 [0,1,0,0,0,1|2,0,0]=4 3732 B11R0.59 C=C(C)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000748629 [0,1,0,0,0,1|1,1,0]=4 3733 B11R0.59 C=C(C)COC(C)C(=O)NCC 34a_100000210245_100000230173 [0,1,0,0,0,1|2,0,0]=4 3734 B11R0.59 C=C(C)COC(C)C(=O)OCC 34a_100000210245_100011216346 [0,1,0,0,0,1|1,0,0]=3 3735 B11R0.59 C=C(C)COC(F)C(=O)OCC 34a_100000210245_100000760018 [0,1,0,0,0,1|1,0,0]=3 3736 B11R0.59 C=C(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000748629 [0,1,0,0,0,1|1,0,0]=3 3737 B11R0.59 C=C(C)CSC(C)C(=O)NCC 62a_100000230173_100000211660 [0,1,0,0,0,1|2,0,0]=4 3738 B11R0.59 C=C(C)CSC(C)C(=O)NCC 62a_100000748629_100000230173 [0,1,0,0,0,1|2,0,0]=4 3739 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100000748629_100011216346 [0,1,0,0,0,1|1,0,0]=3 3740 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100011216346_100000211660 [0,1,0,0,0,1|1,0,0]=3 3741 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000748629_100000760018 [0,1,0,0,0,1|1,0,0]=3 3742 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000760018_100000211660 [0,1,0,0,0,1|1,0,0]=3 3743 B11R0.59 C=C(F)COC(C)C(=O)OCC 34a_200010262243_100011216346 [0,1,0,0,0,1|1,0,1]=4 3744 B11R0.59 C=C(F)COC(F)C(=O)OCC 34a_200010262243_100000760018 [0,1,0,0,0,1|1,0,1]=4 3745 B11R0.59 C=C(F)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000042424 [0,1,0,0,0,1|1,0,1]=4 3746 B11R0.59 C=C(F)CSC(C)C(=O)OCC 62a_100000042424_100011216346 [0,1,0,0,0,1|1,0,1]=4 3747 B11R0.59 C=C(F)CSC(C)C(=O)OCC 62a_100011216346_100000042424 [0,1,0,0,0,1|1,0,1]=4 3748 B11R0.59 C=C(F)CSC(F)C(=O)OCC 62a_100000042424_100000760018 [0,1,0,0,0,1|1,0,1]=4 3749 B11R0.59 C=C(F)CSC(F)C(=O)OCC 62a_100000760018_100000042424 [0,1,0,0,0,1|1,0,1]=4 3750 B11R0.59 CC(=O)SC[C@@H](C)C(=O)CCF 1458a_200015407212_100011217306 [0,1,0,0,0,1|2,0,0]=4 3751 B11R0.59 CC(=O)SC[C@@H](C)C(=O)CCO 1458a_200015407212_100000211926 [0,1,0,0,0,1|2,0,0]=4 3752 B11R0.59 CCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000211992 [0,1,0,0,0,1|2,0,0]=4 3753 B11R0.59 CCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000211992 [0,1,0,0,0,1|2,0,0]=4 3754 B11R0.59 CCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000211992 [0,1,0,0,0,1|2,0,0]=4 3755 B11R0.59 CCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210303 [0,1,0,0,0,1|1,0,0]=3 3756 B11R0.59 CCNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000230173 [0,1,0,0,0,1|2,0,0]=4 3757 B11R0.59 CCNC(=O)C(C)NCC(=O)N 2230a_100000736553_100000747473 [0,1,0,0,0,1|2,0,0]=4 3758 B11R0.59 CCNC(=O)C(C)NCC(=O)N 34a_100000736553_100000187820 [0,1,0,0,0,1|2,0,0]=4 3759 B11R0.59 CCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230173 [0,1,0,0,0,1|2,0,0]=4 3760 B11R0.59 CCNC(=O)C(C)NCC(=O)[O-] 34a_100000736553_100020667443 [0,1,0,0,0,1|2,0,0]=4 3761 B11R0.59 CCNC(=O)C(C)OCC(=O)C 34a_100000211253_100000230173 [0,1,0,0,0,1|1,0,0]=3 3762 B11R0.59 CCNC(=O)C(C)SCC(=O)N 62a_100000230173_100000747473 [0,1,0,0,0,1|2,0,0]=4 3763 B11R0.59 CCNC(=O)C(C)SCC(=O)N 62a_100000747473_100000230173 [0,1,0,0,0,1|2,0,0]=4 3764 B11R0.59 CCNC(=O)C(C)SCC(=O)[O-] 62a_100000230173_100020667443 [0,1,0,0,0,1|2,0,0]=4 3765 B11R0.59 CCNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000230173 [0,1,0,0,0,1|2,0,0]=4 3766 B11R0.59 CCNC(=O)N(C)CCC(=O)N 2708a_100015525214_100000730477 [0,1,0,0,0,1|2,0,0]=4 3767 B11R0.59 CCNC(=O)N(C)CCC(=O)N 273464a_100015525214_100000730477 [0,1,0,0,0,1|2,0,0]=4 3768 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 11a_100015525214_200015407212 [0,1,0,0,0,1|1,0,0]=3 3769 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 240690a_100015525214_200015407212 [0,1,0,0,0,1|1,0,0]=3 3770 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 527a_100015525214_200015407212 [0,1,0,0,0,1|1,0,0]=3 3771 B11R0.59 CCOC(=O)C(=NNC(=O)C)C 4a_100000189765_100000209952 [0,1,0,0,0,1|1,0,1]=4 3772 B11R0.59 CCOC(=O)C(=O)NCC(=O)N 11a_100000711301_100014798877 [0,1,0,0,0,1|1,0,1]=4 3773 B11R0.59 CCOC(=O)C(=O)NCC(=O)N 240690a_100000711301_100014798877 [0,1,0,0,0,1|1,0,1]=4 3774 B11R0.59 CCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100011215307 [0,1,0,0,0,1|1,0,0]=3 3775 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,1,0,0,0,1|1,0,1]=4 3776 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,1,0,0,0,1|1,0,1]=4 3777 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [0,1,0,0,0,1|0,0,2]=4 3778 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [0,1,0,0,0,1|0,0,2]=4 3779 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,1,0,0,0,1|0,0,0]=2 3780 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [0,1,0,0,0,1|1,0,1]=4 3781 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,1,0,0,0,1|1,0,1]=4 3782 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [0,1,0,0,0,1|1,0,1]=4 3783 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [0,1,0,0,0,1|1,0,1]=4 3784 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [0,1,0,0,0,1|1,0,1]=4 3785 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100000747473_100011216346 [0,1,0,0,0,1|1,0,0]=3 3786 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100011216346_100000747473 [0,1,0,0,0,1|1,0,0]=3 3787 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100011216346_100020667443 [0,1,0,0,0,1|1,0,0]=3 3788 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100011216346 [0,1,0,0,0,1|1,0,0]=3 3789 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,1,0,0,0,1|1,0,1]=4 3790 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,1,0,0,0,1|1,0,1]=4 3791 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [0,1,0,0,0,1|0,0,2]=4 3792 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [0,1,0,0,0,1|0,0,2]=4 3793 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [0,1,0,0,0,1|0,0,2]=4 3794 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [0,1,0,0,0,1|0,0,2]=4 3795 B11R0.59 CCOC(=O)C(C)SC[N+](=O)[O-] 62a_100011216346_100000761209 [0,1,0,0,0,1|2,0,0]=4 3796 B11R0.59 CCOC(=O)C(F)NCC(=O)N 2230a_100000711301_100000760018 [0,1,0,0,0,1|1,0,0]=3 3797 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,1,0,0,0,1|1,0,1]=4 3798 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,1,0,0,0,1|1,0,1]=4 3799 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [0,1,0,0,0,1|0,0,2]=4 3800 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [0,1,0,0,0,1|0,0,2]=4 3801 B11R0.59 CCOC(=O)C(F)OCC(=O)C 34a_100000211253_100000760018 [0,1,0,0,0,1|0,0,0]=2 3802 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [0,1,0,0,0,1|1,0,1]=4 3803 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,1,0,0,0,1|1,0,1]=4 3804 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [0,1,0,0,0,1|1,0,1]=4 3805 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [0,1,0,0,0,1|1,0,1]=4 3806 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [0,1,0,0,0,1|1,0,1]=4 3807 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000747473_100000760018 [0,1,0,0,0,1|1,0,0]=3 3808 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000760018_100000747473 [0,1,0,0,0,1|1,0,0]=3 3809 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100000760018_100020667443 [0,1,0,0,0,1|1,0,0]=3 3810 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100000760018 [0,1,0,0,0,1|1,0,0]=3 3811 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,1,0,0,0,1|1,0,1]=4 3812 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,1,0,0,0,1|1,0,1]=4 3813 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [0,1,0,0,0,1|0,0,2]=4 3814 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [0,1,0,0,0,1|0,0,2]=4 3815 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [0,1,0,0,0,1|0,0,2]=4 3816 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [0,1,0,0,0,1|0,0,2]=4 3817 B11R0.59 CCOC(=O)C(F)SC[N+](=O)[O-] 62a_100000760018_100000761209 [0,1,0,0,0,1|2,0,0]=4 3818 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)N 7a_100000751109_100000187820 [0,1,0,0,0,1|1,0,0]=3 3819 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,1,0,0,0,1|1,0,1]=4 3820 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [0,1,0,0,0,1|0,0,2]=4 3821 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [0,1,0,0,0,1|0,0,2]=4 3822 B11R0.59 CCSC(=O)[C@H](C)NCC(=O)N 2230a_100103168634_100000747473 [0,1,0,0,0,1|1,1,0]=4 3823 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 270084a_100015525214_200000119425 [0,1,0,0,0,1|2,0,0]=4 3824 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 274078a_100015525214_200000119425 [0,1,0,0,0,1|2,0,0]=4 3825 B11R0.104 CCO[Si](C)(C)CCCC(=O)C 1458a_100000070787_100000070546 [0,1,0,0,0,1|1,1,0]=4 3826 B11R0.141 C=C(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000185857 [0,1,0,0,0,1|1,0,1]=4 3827 B11R0.141 C=COC(=O)COC(C)C(=O)C 34a_100000212229_100000036128 [0,1,0,0,0,1|0,0,2]=4 3828 B11R0.141 C=COC(=O)CSC(C)C(=O)C 62a_100000036128_100009814033 [0,1,0,0,0,1|0,0,2]=4 3829 B11R0.141 C=COC(=O)CSC(C)C(=O)C 62a_100009814033_100000036128 [0,1,0,0,0,1|0,0,2]=4 3830 B11R0.141 CC(=O)C(C)OCC(=O)NCO 34a_100000212229_100000185155 [0,1,0,0,0,1|2,0,0]=4 3831 B11R0.141 CC(=O)C(C)SCC(=O)NCO 62a_100000185155_100009814033 [0,1,0,0,0,1|2,0,0]=4 3832 B11R0.141 CC(=O)C(C)SCC(=O)NCO 62a_100009814033_100000185155 [0,1,0,0,0,1|2,0,0]=4 3833 B11R0.141 CC(=O)N(C)CCC(=O)CCF 1458a_100011216537_100011217306 [0,1,0,0,0,1|2,0,0]=4 3834 B11R0.141 CC(=O)N(C)CCC(=O)CCO 1458a_100011216537_100000211926 [0,1,0,0,0,1|2,0,0]=4 3835 B11R0.141 CCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210303 [0,1,0,0,0,1|1,0,0]=3 3836 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,1,0,0,0,1|2,0,0]=4 3837 B11R0.141 CCCC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747444 [0,1,0,0,0,1|2,0,0]=4 3838 B11R0.141 CCCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747444 [0,1,0,0,0,1|2,0,0]=4 3839 B11R0.141 CCCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747444 [0,1,0,0,0,1|2,0,0]=4 3840 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100000747444_100009814033 [0,1,0,0,0,1|1,0,0]=3 3841 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747444 [0,1,0,0,0,1|1,0,0]=3 3842 B11R0.141 CCCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747444 [0,1,0,0,0,1|2,0,0]=4 3843 B11R0.141 CCCC(=O)CSC(C)C(=O)N 62a_100000747444_100000702099 [0,1,0,0,0,1|2,0,0]=4 3844 B11R0.141 CCCC(=O)CSC(F)C(=O)N 62a_100000747444_100009813875 [0,1,0,0,0,1|2,0,0]=4 3845 B11R0.141 CCCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747444 [0,1,0,0,0,1|2,0,0]=4 3846 B11R0.141 CCCC(=O)CSC(F)C(=O)[O-] 62a_100000747444_100020610796 [0,1,0,0,0,1|2,0,0]=4 3847 B11R0.141 CCCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747444 [0,1,0,0,0,1|2,0,0]=4 3848 B11R0.141 CCNC(=O)CCN(C)C(=O)C 11a_100015525214_100011216537 [0,1,0,0,0,1|1,0,0]=3 3849 B11R0.141 CCNC(=O)CCN(C)C(=O)C 240690a_100015525214_100011216537 [0,1,0,0,0,1|1,0,0]=3 3850 B11R0.141 CCNC(=O)CNC(C)C(=O)C 2230a_100016988866_100009814033 [0,1,0,0,0,1|1,0,0]=3 3851 B11R0.141 CCNC(=O)CNC(C)C(=O)N 2230a_100016988866_100000702099 [0,1,0,0,0,1|2,0,0]=4 3852 B11R0.141 CCNC(=O)CNC(F)C(=O)N 2230a_100016988866_100009813875 [0,1,0,0,0,1|2,0,0]=4 3853 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183381 [0,1,0,0,0,1|2,0,0]=4 3854 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183381 [0,1,0,0,0,1|2,0,0]=4 3855 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183381 [0,1,0,0,0,1|2,0,0]=4 3856 B11R0.141 CCNC(=O)COC(C)C(=O)C 34a_100000212229_100000183381 [0,1,0,0,0,1|1,0,0]=3 3857 B11R0.141 CCNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183381 [0,1,0,0,0,1|2,0,0]=4 3858 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183381 [0,1,0,0,0,1|2,0,0]=4 3859 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183381 [0,1,0,0,0,1|2,0,0]=4 3860 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100000183381_100009814033 [0,1,0,0,0,1|1,0,0]=3 3861 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183381 [0,1,0,0,0,1|1,0,0]=3 3862 B11R0.141 CCNC(=O)CSC(C)C(=O)N 62a_100000183381_100000702099 [0,1,0,0,0,1|2,0,0]=4 3863 B11R0.141 CCNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183381 [0,1,0,0,0,1|2,0,0]=4 3864 B11R0.141 CCNC(=O)CSC(F)C(=O)N 62a_100000183381_100009813875 [0,1,0,0,0,1|2,0,0]=4 3865 B11R0.141 CCNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183381 [0,1,0,0,0,1|2,0,0]=4 3866 B11R0.141 CCNC(=O)CSC(F)C(=O)[O-] 62a_100000183381_100020610796 [0,1,0,0,0,1|2,0,0]=4 3867 B11R0.141 CCNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183381 [0,1,0,0,0,1|2,0,0]=4 3868 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,1,0,0,0,1|1,0,1]=4 3869 B11R0.141 CCOC(=O)CCC(=O)N(C)C 11a_100102631434_100000183558 [0,1,0,0,0,1|2,0,0]=4 3870 B11R0.141 CCOC(=O)CCC(=O)N(C)C 1626a_100102631434_100000183558 [0,1,0,0,0,1|2,0,0]=4 3871 B11R0.141 CCOC(=O)CCC(=O)N(C)C 240690a_100102631434_100000183558 [0,1,0,0,0,1|2,0,0]=4 3872 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,1,0,0,0,1|0,0,0]=2 3873 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,1,0,0,0,1|2,0,0]=4 3874 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,1,0,0,0,1|2,0,0]=4 3875 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,1,0,0,0,1|0,0,0]=2 3876 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,1,0,0,0,1|0,0,0]=2 3877 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,1,0,0,0,1|0,0,0]=2 3878 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,1,0,0,0,1|0,0,0]=2 3879 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,1,0,0,0,1|1,0,1]=4 3880 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,1,0,0,0,1|1,0,1]=4 3881 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,1,0,0,0,1|1,0,1]=4 3882 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,1,0,0,0,1|1,0,1]=4 3883 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,1,0,0,0,1|1,0,1]=4 3884 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,1,0,0,0,1|1,0,1]=4 3885 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,1,0,0,0,1|1,0,0]=3 3886 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000188475 [0,1,0,0,0,1|1,0,0]=3 3887 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000188475 [0,1,0,0,0,1|1,0,0]=3 3888 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,1,0,0,0,1|0,0,0]=2 3889 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,1,0,0,0,1|1,0,1]=4 3890 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000188475 [0,1,0,0,0,1|1,0,0]=3 3891 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000188475 [0,1,0,0,0,1|1,0,0]=3 3892 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000188475 [0,1,0,0,0,1|1,0,0]=3 3893 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,1,0,0,0,1|0,0,0]=2 3894 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,1,0,0,0,1|0,0,0]=2 3895 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000188475_100000702099 [0,1,0,0,0,1|1,0,0]=3 3896 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000188475 [0,1,0,0,0,1|1,0,0]=3 3897 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100000188475_100009813875 [0,1,0,0,0,1|1,0,0]=3 3898 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100009813875_100000188475 [0,1,0,0,0,1|1,0,0]=3 3899 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100000188475_100020610796 [0,1,0,0,0,1|1,0,0]=3 3900 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000188475 [0,1,0,0,0,1|1,0,0]=3 3901 B11R0.141 CNNC(=O)CCN(C)C(=O)C 22a_100016993582_100011216537 [0,1,0,0,0,1|2,0,0]=4 3902 B11R0.145 C/C=C(\C)/C(=O)CCCC(=O)C 1458a_100020587367_100011215641 [0,1,0,0,0,1|1,0,1]=4 3903 B11R0.145 C/C=C(\C)/C(=O)CCNC(=O)C 1458a_100020587367_100000189650 [0,1,0,0,0,1|1,0,1]=4 3904 B11R0.145 C/C=C(\C)/C(=O)CCOC(=O)C 1458a_100020587367_100009814007 [0,1,0,0,0,1|1,0,1]=4 3905 B11R0.145 C=C(C)COCC(=O)N(C)CC 34a_100000210245_100000738999 [0,1,0,0,0,1|2,0,0]=4 3906 B11R0.145 C=C(C)CSCC(=O)N(C)CC 62a_100000738999_100000211660 [0,1,0,0,0,1|2,0,0]=4 3907 B11R0.145 C=C(C)CSCC(=O)N(C)CC 62a_100000748629_100000738999 [0,1,0,0,0,1|2,0,0]=4 3908 B11R0.145 CC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011215641 [0,1,0,0,0,1|2,0,0]=4 3909 B11R0.145 CC(=O)NCCC(=O)C(O)CO 1458a_100011215603_100000189650 [0,1,0,0,0,1|2,0,0]=4 3910 B11R0.145 CC(=O)OCCC(=O)C(O)CO 1458a_100011215603_100009814007 [0,1,0,0,0,1|2,0,0]=4 3911 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,1|2,0,0]=4 3912 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,1,0,0,0,1|1,0,0]=3 3913 B11R0.145 CCC(C)C(=O)CCCC(=O)N 1458a_100011192722_100102525003 [0,1,0,0,0,1|2,0,0]=4 3914 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000758301 [0,1,0,0,0,1|1,0,0]=3 3915 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100011192722_100000189650 [0,1,0,0,0,1|1,0,0]=3 3916 B11R0.145 CCC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000758301 [0,1,0,0,0,1|2,0,0]=4 3917 B11R0.145 CCC(C)C(=O)CCNC(=O)N 1458a_100011192722_200000034859 [0,1,0,0,0,1|2,0,0]=4 3918 B11R0.145 CCC(C)C(=O)CCOC(=O)C 1458a_100011192722_100009814007 [0,1,0,0,0,1|1,0,0]=3 3919 B11R0.145 CCC(C)C(=O)CCOC(=O)N 1458a_100011192722_200011214921 [0,1,0,0,0,1|2,0,0]=4 3920 B11R0.145 CCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000758301 [0,1,0,0,0,1|1,0,0]=3 3921 B11R0.145 CCC(C)C(=O)COCC(=O)N 1458a_100011219004_100000758301 [0,1,0,0,0,1|2,0,0]=4 3922 B11R0.145 CCC(C)C(=O)NCCC(=O)N 11a_100000740010_100011192722 [0,1,0,0,0,1|2,0,0]=4 3923 B11R0.145 CCC(C)C(=O)NCCC(=O)N 240690a_100000740010_100011192722 [0,1,0,0,0,1|2,0,0]=4 3924 B11R0.145 CCC(C)C(=O)NCCC(=O)N 527a_100000740010_100011192722 [0,1,0,0,0,1|2,0,0]=4 3925 B11R0.145 CCC(O)C(=O)CCC=C(C)C 1458a_100011196387_100011217483 [0,1,0,0,0,1|2,0,0]=4 3926 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,1,0,0,0,1|1,0,0]=3 3927 B11R0.145 CCC(O)C(=O)CCCC(=O)N 1458a_100011196387_100102525003 [0,1,0,0,0,1|2,0,0]=4 3928 B11R0.145 CCC(O)C(=O)CCNC(=O)C 1458a_100011196387_100000189650 [0,1,0,0,0,1|1,0,0]=3 3929 B11R0.145 CCC(O)C(=O)CCNC(=O)N 1458a_100011196387_200000034859 [0,1,0,0,0,1|2,0,0]=4 3930 B11R0.145 CCC(O)C(=O)CCOC(=O)C 1458a_100011196387_100009814007 [0,1,0,0,0,1|1,0,0]=3 3931 B11R0.145 CCC(O)C(=O)CCOC(=O)N 1458a_100011196387_200011214921 [0,1,0,0,0,1|2,0,0]=4 3932 B11R0.145 CCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100011196387 [0,1,0,0,0,1|2,0,0]=4 3933 B11R0.145 CCN(C)C(=O)CCNC(=O)C 11a_100000225621_100000183196 [0,1,0,0,0,1|1,0,0]=3 3934 B11R0.145 CCN(C)C(=O)CCNC(=O)C 1626a_100000225621_100000183196 [0,1,0,0,0,1|1,0,0]=3 3935 B11R0.145 CCN(C)C(=O)CCNC(=O)C 240690a_100000225621_100000183196 [0,1,0,0,0,1|1,0,0]=3 3936 B11R0.145 CCN(C)C(=O)CCNC(=O)C 527a_100000225621_100000183196 [0,1,0,0,0,1|1,0,0]=3 3937 B11R0.145 CCN(C)C(=O)CCNC(=O)N 240690a_100000225621_100000181464 [0,1,0,0,0,1|2,0,0]=4 3938 B11R0.145 CCN(C)C(=O)CCNC(=O)N 527a_100000225621_100000181464 [0,1,0,0,0,1|2,0,0]=4 3939 B11R0.145 CCN(C)C(=O)CCSC(=O)C 1626a_100000225621_100000048949 [0,1,0,0,0,1|1,0,0]=3 3940 B11R0.145 CCN(C)C(=O)CCSC(=O)C 240690a_100000225621_100000048949 [0,1,0,0,0,1|1,0,0]=3 3941 B11R0.145 CCN(C)C(=O)CNCC(=O)N 2230a_100000711301_100000738999 [0,1,0,0,0,1|2,0,0]=4 3942 B11R0.145 CCN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000738999 [0,1,0,0,0,1|2,0,0]=4 3943 B11R0.145 CCN(C)C(=O)COCC(=O)C 34a_100000211253_100000738999 [0,1,0,0,0,1|1,0,0]=3 3944 B11R0.145 CCN(C)C(=O)COCC(=O)N 1626a_100000225621_100011219004 [0,1,0,0,0,1|2,0,0]=4 3945 B11R0.145 CCN(C)C(=O)COCC(=O)N 240690a_100000225621_100011219004 [0,1,0,0,0,1|2,0,0]=4 3946 B11R0.145 CCN(C)C(=O)COCC(=O)N 527a_100000225621_100011219004 [0,1,0,0,0,1|2,0,0]=4 3947 B11R0.145 CCN(C)C(=O)CSCC(=O)N 11a_100000225621_100000150265 [0,1,0,0,0,1|2,0,0]=4 3948 B11R0.145 CCN(C)C(=O)CSCC(=O)N 240690a_100000225621_100000150265 [0,1,0,0,0,1|2,0,0]=4 3949 B11R0.145 CCN(C)C(=O)CSCC(=O)N 527a_100000225621_100000150265 [0,1,0,0,0,1|2,0,0]=4 3950 B11R0.145 CCN(C)C(=O)CSCC(=O)N 62a_100000738999_100000747473 [0,1,0,0,0,1|2,0,0]=4 3951 B11R0.145 CCN(C)C(=O)CSCC(=O)N 62a_100000747473_100000738999 [0,1,0,0,0,1|2,0,0]=4 3952 B11R0.145 CCN(C)C(=O)CSCC(=O)[O-] 62a_100000738999_100020667443 [0,1,0,0,0,1|2,0,0]=4 3953 B11R0.145 CCN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000738999 [0,1,0,0,0,1|2,0,0]=4 3954 B11R0.145 CCN(C)C(=O)NCCC(=O)N 273464a_100000740010_100000225621 [0,1,0,0,0,1|2,0,0]=4 3955 B11R0.145 CNC(=O)C(=O)CCCC(=O)C 1458a_100011218921_100011215641 [0,1,0,0,0,1|2,0,0]=4 3956 B11R0.145 CNC(=O)C(=O)CCNC(=O)C 1458a_100011218921_100000189650 [0,1,0,0,0,1|2,0,0]=4 3957 B11R0.145 CNC(=O)C(=O)CCOC(=O)C 1458a_100011218921_100009814007 [0,1,0,0,0,1|2,0,0]=4 3958 B11R0.145 COC(=O)C(=O)COCC(=O)C 34a_100000211253_100011610305 [0,1,0,0,0,1|2,0,0]=4 3959 B11R0.145 COC(C)C(=O)CCCC(=O)C 1458a_100000743197_100011215641 [0,1,0,0,0,1|2,0,0]=4 3960 B11R0.145 COC(C)C(=O)CCNC(=O)C 1458a_100000743197_100000189650 [0,1,0,0,0,1|2,0,0]=4 3961 B11R0.145 COC(C)C(=O)CCOC(=O)C 1458a_100000743197_100009814007 [0,1,0,0,0,1|2,0,0]=4 3962 B11R0.145 CSC(C)C(=O)CCCC(=O)C 1458a_100000149566_100011215641 [0,1,0,0,0,1|2,0,0]=4 3963 B11R0.145 CSC(C)C(=O)CCNC(=O)C 1458a_100000149566_100000189650 [0,1,0,0,0,1|2,0,0]=4 3964 B11R0.145 CSC(C)C(=O)CCOC(=O)C 1458a_100000149566_100009814007 [0,1,0,0,0,1|2,0,0]=4 3965 B11R0.147 C#CCCC(=O)CCCC(=O)C 1458a_100000692101_100011215641 [0,1,0,0,0,1|1,0,1]=4 3966 B11R0.147 C#CCCC(=O)CCNC(=O)C 1458a_100000183196_100000753159 [0,1,0,0,0,1|1,0,1]=4 3967 B11R0.147 C#CCCC(=O)CCNC(=O)C 1458a_100000692101_100000189650 [0,1,0,0,0,1|1,0,1]=4 3968 B11R0.147 C#CCCC(=O)CCOC(=O)C 1458a_100000692101_100009814007 [0,1,0,0,0,1|1,0,1]=4 3969 B11R0.147 C#CCCC(=O)CCSC(=O)C 1458a_100000048949_100000753159 [0,1,0,0,0,1|1,0,1]=4 3970 B11R0.147 C#CCNC(=O)CCNC(=O)C 11a_100000212058_100000183196 [0,1,0,0,0,1|1,0,1]=4 3971 B11R0.147 C#CCNC(=O)CCNC(=O)C 1626a_100000212058_100000183196 [0,1,0,0,0,1|1,0,1]=4 3972 B11R0.147 C#CCNC(=O)CCNC(=O)C 240690a_100000212058_100000183196 [0,1,0,0,0,1|1,0,1]=4 3973 B11R0.147 C#CCNC(=O)CCNC(=O)C 527a_100000212058_100000183196 [0,1,0,0,0,1|1,0,1]=4 3974 B11R0.147 C#CCNC(=O)CCSC(=O)C 1626a_100000212058_100000048949 [0,1,0,0,0,1|1,0,1]=4 3975 B11R0.147 C#CCNC(=O)CCSC(=O)C 240690a_100000212058_100000048949 [0,1,0,0,0,1|1,0,1]=4 3976 B11R0.147 C/C=C/CC(=O)CCNC(=O)C 1458a_100000183196_100102629194 [0,1,0,0,0,1|1,0,1]=4 3977 B11R0.147 C/C=C/CC(=O)CCSC(=O)C 1458a_100000048949_100102629194 [0,1,0,0,0,1|1,0,1]=4 3978 B11R0.147 C=C(C)CNCC(=O)NCCC 2230a_100000174927_100000748629 [0,1,0,0,0,1|2,0,0]=4 3979 B11R0.147 C=C(C)CNCC(=O)NCCF 2230a_100000725713_100000748629 [0,1,0,0,0,1|2,0,0]=4 3980 B11R0.147 C=C(C)CNNC(=O)COCC 22a_100000729518_100000211967 [0,1,0,0,0,1|2,0,0]=4 3981 B11R0.147 C=C(C)COCC(=C)OCOC 34a_100000210245_100000042856 [0,1,0,0,0,1|2,0,0]=4 3982 B11R0.147 C=C(C)COCC(=O)NCCC 34a_100000210245_100000183358 [0,1,0,0,0,1|2,0,0]=4 3983 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [0,1,0,0,0,1|1,0,0]=3 3984 B11R0.147 C=C(C)CSCC(=C)OCOC 62a_100000042856_100000211660 [0,1,0,0,0,1|2,0,0]=4 3985 B11R0.147 C=C(C)CSCC(=C)OCOC 62a_100000748629_100000042856 [0,1,0,0,0,1|2,0,0]=4 3986 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000183358_100000211660 [0,1,0,0,0,1|2,0,0]=4 3987 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000748629_100000183358 [0,1,0,0,0,1|2,0,0]=4 3988 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_100000748629_200011215008 [0,1,0,0,0,1|1,0,0]=3 3989 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_200011215008_100000211660 [0,1,0,0,0,1|1,0,0]=3 3990 B11R0.147 C=C(CNCC(=O)O)OCOC 269956a_100016091260_100000042856 [0,1,0,0,0,1|2,0,0]=4 3991 B11R0.147 C=C(COCC(=O)C)OCOC 34a_100000211253_100000042856 [0,1,0,0,0,1|1,0,0]=3 3992 B11R0.147 C=C(CSCC(=O)N)OCOC 62a_100000042856_100000747473 [0,1,0,0,0,1|2,0,0]=4 3993 B11R0.147 C=C(CSCC(=O)N)OCOC 62a_100000747473_100000042856 [0,1,0,0,0,1|2,0,0]=4 3994 B11R0.147 C=C(CSCC(=O)[O-])OCOC 62a_100000042856_100020667443 [0,1,0,0,0,1|2,0,0]=4 3995 B11R0.147 C=C(CSCC(=O)[O-])OCOC 62a_100020667443_100000042856 [0,1,0,0,0,1|2,0,0]=4 3996 B11R0.147 C=C(F)COCC(=O)OCCC 34a_200010262243_200011215008 [0,1,0,0,0,1|1,0,1]=4 3997 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_100000042424_200011215008 [0,1,0,0,0,1|1,0,1]=4 3998 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_200011215008_100000042424 [0,1,0,0,0,1|1,0,1]=4 3999 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [0,1,0,0,0,1|1,0,1]=4 4000 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000183196_100000754431 [0,1,0,0,0,1|1,0,1]=4 4001 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000749702_100000189650 [0,1,0,0,0,1|1,0,1]=4 4002 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,1,0,0,0,1|1,0,1]=4 4003 B11R0.147 C=CCCC(=O)CCSC(=O)C 1458a_100000048949_100000754431 [0,1,0,0,0,1|1,0,1]=4 4004 B11R0.147 C=CCNC(=O)CCNC(=O)C 1626a_100020586998_100000183196 [0,1,0,0,0,1|1,0,1]=4 4005 B11R0.147 C=CCNC(=O)CCNC(=O)C 240690a_100020586998_100000183196 [0,1,0,0,0,1|1,0,1]=4 4006 B11R0.147 C=CCNC(=O)CCNC(=O)C 527a_100020586998_100000183196 [0,1,0,0,0,1|1,0,1]=4 4007 B11R0.147 C=CCNC(=O)CCSC(=O)C 1626a_100020586998_100000048949 [0,1,0,0,0,1|1,0,1]=4 4008 B11R0.147 C=CCNC(=O)CCSC(=O)C 240690a_100020586998_100000048949 [0,1,0,0,0,1|1,0,1]=4 4009 B11R0.147 C=CCOC(=O)CNCC(=O)N 2230a_100000711301_100000033060 [0,1,0,0,0,1|1,0,1]=4 4010 B11R0.147 C=CCOC(=O)CNCC(=O)O 269956a_100016091260_100000033060 [0,1,0,0,0,1|1,0,1]=4 4011 B11R0.147 C=CCOC(=O)COCC(=C)C 34a_100000210245_100000033060 [0,1,0,0,0,1|1,0,1]=4 4012 B11R0.147 C=CCOC(=O)COCC(=O)C 34a_100000211253_100000033060 [0,1,0,0,0,1|0,0,1]=3 4013 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000033060_100000211660 [0,1,0,0,0,1|1,0,1]=4 4014 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000748629_100000033060 [0,1,0,0,0,1|1,0,1]=4 4015 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000033060_100000747473 [0,1,0,0,0,1|1,0,1]=4 4016 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000747473_100000033060 [0,1,0,0,0,1|1,0,1]=4 4017 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100000033060_100020667443 [0,1,0,0,0,1|1,0,1]=4 4018 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000033060 [0,1,0,0,0,1|1,0,1]=4 4019 B11R0.147 CC#CCC(=O)CCNC(=O)C 1458a_100000183196_100000748600 [0,1,0,0,0,1|1,0,1]=4 4020 B11R0.147 CC#CCC(=O)CCSC(=O)C 1458a_100000048949_100000748600 [0,1,0,0,0,1|1,0,1]=4 4021 B11R0.147 CC(=O)CCCC(=O)C#CCO 1458a_100000049017_100011215641 [0,1,0,0,0,1|1,0,1]=4 4022 B11R0.147 CC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215641 [0,1,0,0,0,1|1,0,1]=4 4023 B11R0.147 CC(=O)NCCC(=O)C#CCO 1458a_100000049017_100000189650 [0,1,0,0,0,1|1,0,1]=4 4024 B11R0.147 CC(=O)NCCC(=O)CCC#N 1458a_100000183196_100011215226 [0,1,0,0,0,1|1,0,1]=4 4025 B11R0.147 CC(=O)NCCC(=O)CCC#N 1458a_100011934036_100000189650 [0,1,0,0,0,1|1,0,1]=4 4026 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [0,1,0,0,0,1|1,0,0]=3 4027 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [0,1,0,0,0,1|1,0,0]=3 4028 B11R0.147 CC(=O)NCCC(=O)NCC#N 1626a_100000734998_100000183196 [0,1,0,0,0,1|1,0,1]=4 4029 B11R0.147 CC(=O)NCCC(=O)NCC#N 527a_100000734998_100000183196 [0,1,0,0,0,1|1,0,1]=4 4030 B11R0.147 CC(=O)NCCC(=O)NCCF 11a_100000724931_100000183196 [0,1,0,0,0,1|1,0,0]=3 4031 B11R0.147 CC(=O)NCCC(=O)NCCF 1626a_100000724931_100000183196 [0,1,0,0,0,1|1,0,0]=3 4032 B11R0.147 CC(=O)NCCC(=O)NCCF 240690a_100000724931_100000183196 [0,1,0,0,0,1|1,0,0]=3 4033 B11R0.147 CC(=O)NCCC(=O)NCCF 527a_100000724931_100000183196 [0,1,0,0,0,1|1,0,0]=3 4034 B11R0.147 CC(=O)NCCC(=O)NCCO 240690a_100000210304_100000183196 [0,1,0,0,0,1|1,0,0]=3 4035 B11R0.147 CC(=O)NCCC(=O)NCCO 527a_100000210304_100000183196 [0,1,0,0,0,1|1,0,0]=3 4036 B11R0.147 CC(=O)OCCC(=O)C#CCO 1458a_100000049017_100009814007 [0,1,0,0,0,1|1,0,1]=4 4037 B11R0.147 CC(=O)OCCC(=O)CCC#N 1458a_100011934036_100009814007 [0,1,0,0,0,1|1,0,1]=4 4038 B11R0.147 CC(=O)SCCC(=O)CCC#N 1458a_100000048949_100011215226 [0,1,0,0,0,1|1,0,1]=4 4039 B11R0.147 CC(=O)SCCC(=O)CCCF 1458a_100000048949_100011934791 [0,1,0,0,0,1|1,0,0]=3 4040 B11R0.147 CC(=O)SCCC(=O)CCCO 1458a_100000048949_100011215043 [0,1,0,0,0,1|1,0,0]=3 4041 B11R0.147 CC(=O)SCCC(=O)NCC#N 1626a_100000734998_100000048949 [0,1,0,0,0,1|1,0,1]=4 4042 B11R0.147 CC(=O)SCCC(=O)NCCF 1626a_100000724931_100000048949 [0,1,0,0,0,1|1,0,0]=3 4043 B11R0.147 CC(=O)SCCC(=O)NCCF 240690a_100000724931_100000048949 [0,1,0,0,0,1|1,0,0]=3 4044 B11R0.147 CC(=O)SCCC(=O)NCCO 240690a_100000210304_100000048949 [0,1,0,0,0,1|1,0,0]=3 4045 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [0,1,0,0,0,1|1,0,1]=4 4046 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100000183196_100000070051 [0,1,0,0,0,1|1,0,1]=4 4047 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100121576822_100000189650 [0,1,0,0,0,1|1,0,1]=4 4048 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,1,0,0,0,1|1,0,1]=4 4049 B11R0.147 CC=CCC(=O)CCSC(=O)C 1458a_100000048949_100000070051 [0,1,0,0,0,1|1,0,1]=4 4050 B11R0.147 CCC#CC(=O)CCC=C(C)C 1458a_100011827653_100011217483 [0,1,0,0,0,1|2,0,0]=4 4051 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [0,1,0,0,0,1|1,0,0]=3 4052 B11R0.147 CCC#CC(=O)CCCC(=O)N 1458a_100011827653_100102525003 [0,1,0,0,0,1|2,0,0]=4 4053 B11R0.147 CCC#CC(=O)CCNC(=O)C 1458a_100011827653_100000189650 [0,1,0,0,0,1|1,0,0]=3 4054 B11R0.147 CCC#CC(=O)CCNC(=O)N 1458a_100011827653_200000034859 [0,1,0,0,0,1|2,0,0]=4 4055 B11R0.147 CCC#CC(=O)CCOC(=O)C 1458a_100011827653_100009814007 [0,1,0,0,0,1|1,0,0]=3 4056 B11R0.147 CCC#CC(=O)CCOC(=O)N 1458a_100011827653_200011214921 [0,1,0,0,0,1|2,0,0]=4 4057 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [0,1,0,0,0,1|2,0,0]=4 4058 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,1,0,0,0,1|1,0,0]=3 4059 B11R0.147 CCC=CC(=O)CCCC(=O)N 1458a_100000212282_100102525003 [0,1,0,0,0,1|2,0,0]=4 4060 B11R0.147 CCC=CC(=O)CCNC(=O)C 1458a_100000212282_100000189650 [0,1,0,0,0,1|1,0,0]=3 4061 B11R0.147 CCC=CC(=O)CCNC(=O)N 1458a_100000212282_200000034859 [0,1,0,0,0,1|2,0,0]=4 4062 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,1,0,0,0,1|1,0,0]=3 4063 B11R0.147 CCC=CC(=O)CCOC(=O)N 1458a_100000212282_200011214921 [0,1,0,0,0,1|2,0,0]=4 4064 B11R0.147 CCC=CC(=O)NCCC(=O)N 11a_100000740010_100000212282 [0,1,0,0,0,1|2,0,0]=4 4065 B11R0.147 CCC=CC(=O)NCCC(=O)N 240690a_100000740010_100000212282 [0,1,0,0,0,1|2,0,0]=4 4066 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,1|2,0,0]=4 4067 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,1|1,0,0]=3 4068 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,1,0,0,0,1|2,0,0]=4 4069 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,1,0,0,0,1|1,0,0]=3 4070 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,1,0,0,0,1|1,0,0]=3 4071 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [0,1,0,0,0,1|2,0,0]=4 4072 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [0,1,0,0,0,1|2,0,0]=4 4073 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,1,0,0,0,1|1,0,0]=3 4074 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,1,0,0,0,1|2,0,0]=4 4075 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,1,0,0,0,1|1,0,0]=3 4076 B11R0.147 CCCCC(=O)COCC(=O)N 1458a_100011219004_100000210211 [0,1,0,0,0,1|2,0,0]=4 4077 B11R0.147 CCCCC(=O)NCCC(=O)N 11a_100000740010_100000210183 [0,1,0,0,0,1|2,0,0]=4 4078 B11R0.147 CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210183 [0,1,0,0,0,1|2,0,0]=4 4079 B11R0.147 CCCCC(=O)NCCC(=O)N 527a_100000740010_100000210183 [0,1,0,0,0,1|2,0,0]=4 4080 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,1,0,0,0,1|1,0,0]=3 4081 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,1,0,0,0,1|1,0,0]=3 4082 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,1,0,0,0,1|1,0,0]=3 4083 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,1,0,0,0,1|1,0,0]=3 4084 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,1,0,0,0,1|1,0,0]=3 4085 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,1,0,0,0,1|1,0,0]=3 4086 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,1,0,0,0,1|1,0,0]=3 4087 B11R0.147 CCCNC(=O)CCNC(=O)N 240690a_100020643023_100000181464 [0,1,0,0,0,1|2,0,0]=4 4088 B11R0.147 CCCNC(=O)CCNC(=O)N 527a_100020643023_100000181464 [0,1,0,0,0,1|2,0,0]=4 4089 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [0,1,0,0,0,1|1,0,0]=3 4090 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [0,1,0,0,0,1|1,0,0]=3 4091 B11R0.147 CCCNC(=O)CNCC(=O)N 2230a_100000174927_100000747473 [0,1,0,0,0,1|2,0,0]=4 4092 B11R0.147 CCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183358 [0,1,0,0,0,1|2,0,0]=4 4093 B11R0.147 CCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183358 [0,1,0,0,0,1|2,0,0]=4 4094 B11R0.147 CCCNC(=O)COCC(=O)C 34a_100000211253_100000183358 [0,1,0,0,0,1|1,0,0]=3 4095 B11R0.147 CCCNC(=O)COCC(=O)N 1626a_100020643023_100011219004 [0,1,0,0,0,1|2,0,0]=4 4096 B11R0.147 CCCNC(=O)COCC(=O)N 240690a_100020643023_100011219004 [0,1,0,0,0,1|2,0,0]=4 4097 B11R0.147 CCCNC(=O)COCC(=O)N 527a_100020643023_100011219004 [0,1,0,0,0,1|2,0,0]=4 4098 B11R0.147 CCCNC(=O)CSCC(=O)N 11a_100020643023_100000150265 [0,1,0,0,0,1|2,0,0]=4 4099 B11R0.147 CCCNC(=O)CSCC(=O)N 240690a_100020643023_100000150265 [0,1,0,0,0,1|2,0,0]=4 4100 B11R0.147 CCCNC(=O)CSCC(=O)N 527a_100020643023_100000150265 [0,1,0,0,0,1|2,0,0]=4 4101 B11R0.147 CCCNC(=O)CSCC(=O)N 62a_100000183358_100000747473 [0,1,0,0,0,1|2,0,0]=4 4102 B11R0.147 CCCNC(=O)CSCC(=O)N 62a_100000747473_100000183358 [0,1,0,0,0,1|2,0,0]=4 4103 B11R0.147 CCCNC(=O)CSCC(=O)[O-] 62a_100000183358_100020667443 [0,1,0,0,0,1|2,0,0]=4 4104 B11R0.147 CCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183358 [0,1,0,0,0,1|2,0,0]=4 4105 B11R0.147 CCCNC(=O)NCCC(=O)N 2708a_100020643023_100000740010 [0,1,0,0,0,1|2,0,0]=4 4106 B11R0.147 CCCNC(=O)NCCC(=O)N 273464a_100000740010_100020643023 [0,1,0,0,0,1|2,0,0]=4 4107 B11R0.147 CCCNC(=O)NCCC(=O)N 273464a_100020643023_100000740010 [0,1,0,0,0,1|2,0,0]=4 4108 B11R0.147 CCCNC(=O)NCCC(=O)N 512a_100020643023_100000740010 [0,1,0,0,0,1|2,0,0]=4 4109 B11R0.147 CCCOC(=O)CNCC(=O)N 2230a_100000711301_200011215008 [0,1,0,0,0,1|1,0,0]=3 4110 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,1,0,0,0,1|1,0,0]=3 4111 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,1,0,0,0,1|1,0,1]=4 4112 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,1,0,0,0,1|1,0,1]=4 4113 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,1,0,0,0,1|0,0,2]=4 4114 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,1,0,0,0,1|0,0,2]=4 4115 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,1,0,0,0,1|0,0,0]=2 4116 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [0,1,0,0,0,1|1,0,1]=4 4117 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,1,0,0,0,1|1,0,1]=4 4118 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [0,1,0,0,0,1|1,0,1]=4 4119 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [0,1,0,0,0,1|1,0,1]=4 4120 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [0,1,0,0,0,1|1,0,1]=4 4121 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_100000747473_200011215008 [0,1,0,0,0,1|1,0,0]=3 4122 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_200011215008_100000747473 [0,1,0,0,0,1|1,0,0]=3 4123 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200011215008 [0,1,0,0,0,1|1,0,0]=3 4124 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_200011215008_100020667443 [0,1,0,0,0,1|1,0,0]=3 4125 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,1,0,0,0,1|1,0,1]=4 4126 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,1,0,0,0,1|1,0,1]=4 4127 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,1,0,0,0,1|0,0,2]=4 4128 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,1,0,0,0,1|0,0,2]=4 4129 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,1,0,0,0,1|0,0,2]=4 4130 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,1,0,0,0,1|0,0,2]=4 4131 B11R0.147 CCCOC(=O)CSC[N+](=O)[O-] 62a_200011215008_100000761209 [0,1,0,0,0,1|2,0,0]=4 4132 B11R0.147 CCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210202 [0,1,0,0,0,1|2,0,0]=4 4133 B11R0.147 CCNNC(=O)CCNC(=O)C 22a_100000756455_100000183196 [0,1,0,0,0,1|1,0,0]=3 4134 B11R0.147 CCNNC(=O)CCNC(=O)N 22a_100000756455_100000181464 [0,1,0,0,0,1|2,0,0]=4 4135 B11R0.147 CCNNC(=O)COCC(=O)N 22a_100000756455_100011219004 [0,1,0,0,0,1|2,0,0]=4 4136 B11R0.147 CCNNC(=O)CSCC(=O)N 22a_100000756455_100000150265 [0,1,0,0,0,1|2,0,0]=4 4137 B11R0.147 CCNNC(=O)NCCC(=O)N 273464a_100000740010_100000756455 [0,1,0,0,0,1|2,0,0]=4 4138 B11R0.147 CCNNC(=O)NCCC(=O)N 512a_100000756455_100000740010 [0,1,0,0,0,1|2,0,0]=4 4139 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,1,0,0,0,1|1,0,0]=3 4140 B11R0.147 CCOCC(=O)CCC=C(F)F 1458a_100000211967_200009816681 [0,1,0,0,0,1|2,0,0]=4 4141 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,1|0,0,0]=2 4142 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,1,0,0,0,1|1,0,0]=3 4143 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,1,0,0,0,1|1,0,1]=4 4144 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,1,0,0,0,1|0,0,2]=4 4145 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,1,0,0,0,1|2,0,0]=4 4146 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,1,0,0,0,1|0,0,0]=2 4147 B11R0.147 CCOCC(=O)CCNC(=O)N 1458a_100000211967_200000034859 [0,1,0,0,0,1|1,0,0]=3 4148 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,1,0,0,0,1|0,0,0]=2 4149 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,1,0,0,0,1|1,0,0]=3 4150 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [0,1,0,0,0,1|1,0,1]=4 4151 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [0,1,0,0,0,1|1,0,1]=4 4152 B11R0.147 CCOCC(=O)NCC=C(C)C 11a_100000718196_100000211967 [0,1,0,0,0,1|1,0,1]=4 4153 B11R0.147 CCOCC(=O)NCC=C(C)C 1626a_100000718196_100000211967 [0,1,0,0,0,1|1,0,1]=4 4154 B11R0.147 CCOCC(=O)NCC=C(C)C 527a_100000718196_100000211967 [0,1,0,0,0,1|1,0,1]=4 4155 B11R0.147 CCOCC(=O)NCCC(=O)N 11a_100000740010_100000211967 [0,1,0,0,0,1|1,0,0]=3 4156 B11R0.147 CCOCC(=O)NCCC(=O)N 240690a_100000740010_100000211967 [0,1,0,0,0,1|1,0,0]=3 4157 B11R0.147 CCOCC(=O)NCCC(=O)N 527a_100000740010_100000211967 [0,1,0,0,0,1|1,0,0]=3 4158 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [0,1,0,0,0,1|1,0,1]=4 4159 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [0,1,0,0,0,1|1,0,1]=4 4160 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [0,1,0,0,0,1|1,0,1]=4 4161 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [0,1,0,0,0,1|1,0,1]=4 4162 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,1,0,0,0,1|0,0,2]=4 4163 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,1,0,0,0,1|0,0,2]=4 4164 B11R0.147 CCOCC(=O)NCCN(C)C 240690a_100000210585_100000211967 [0,1,0,0,0,1|2,0,0]=4 4165 B11R0.147 CCOCC(=O)NCCN(C)C 527a_100000210585_100000211967 [0,1,0,0,0,1|2,0,0]=4 4166 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [0,1,0,0,0,1|1,0,1]=4 4167 B11R0.147 CCSCC(=O)CCC=C(C)C 1458a_100000230394_100011217483 [0,1,0,0,0,1|1,1,0]=4 4168 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,1,0,0,0,1|0,1,0]=3 4169 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [0,1,0,0,0,1|1,1,0]=4 4170 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [0,1,0,0,0,1|0,1,0]=3 4171 B11R0.147 CCSCC(=O)CCNC(=O)N 1458a_100000230394_200000034859 [0,1,0,0,0,1|1,1,0]=4 4172 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [0,1,0,0,0,1|0,1,0]=3 4173 B11R0.147 CCSCC(=O)CCOC(=O)N 1458a_100000230394_200011214921 [0,1,0,0,0,1|1,1,0]=4 4174 B11R0.147 CCSCC(=O)NCCC(=O)N 11a_100000740010_100000230394 [0,1,0,0,0,1|1,1,0]=4 4175 B11R0.147 CCSCC(=O)NCCC(=O)N 240690a_100000740010_100000230394 [0,1,0,0,0,1|1,1,0]=4 4176 B11R0.147 CCSCC(=O)NCCC(=O)N 527a_100000740010_100000230394 [0,1,0,0,0,1|1,1,0]=4 4177 B11R0.147 COC=CC(=O)CCCC(=O)C 1458a_100016268678_100011215641 [0,1,0,0,0,1|1,0,1]=4 4178 B11R0.147 COC=CC(=O)CCNC(=O)C 1458a_100016268678_100000189650 [0,1,0,0,0,1|1,0,1]=4 4179 B11R0.147 COC=CC(=O)CCOC(=O)C 1458a_100016268678_100009814007 [0,1,0,0,0,1|1,0,1]=4 4180 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [0,1,0,0,0,1|2,0,0]=4 4181 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,1,0,0,0,1|1,0,0]=3 4182 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [0,1,0,0,0,1|2,0,0]=4 4183 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,1,0,0,0,1|1,0,0]=3 4184 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,1,0,0,0,1|1,0,0]=3 4185 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000181464_100000233755 [0,1,0,0,0,1|2,0,0]=4 4186 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000749529_200000034859 [0,1,0,0,0,1|2,0,0]=4 4187 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [0,1,0,0,0,1|1,0,0]=3 4188 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [0,1,0,0,0,1|2,0,0]=4 4189 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [0,1,0,0,0,1|1,0,0]=3 4190 B11R0.147 COCCC(=O)COCC(=O)N 1458a_100011219004_100000233755 [0,1,0,0,0,1|2,0,0]=4 4191 B11R0.147 COCCC(=O)NCCC(=O)N 11a_100000740010_100000749529 [0,1,0,0,0,1|2,0,0]=4 4192 B11R0.147 COCCC(=O)NCCC(=O)N 240690a_100000740010_100000749529 [0,1,0,0,0,1|2,0,0]=4 4193 B11R0.147 COCCC(=O)NCCC(=O)N 527a_100000740010_100000749529 [0,1,0,0,0,1|2,0,0]=4 4194 B11R0.147 CSCCC(=O)CCC=C(C)C 1458a_100000174002_100011217483 [0,1,0,0,0,1|2,0,0]=4 4195 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,1,0,0,0,1|1,0,0]=3 4196 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [0,1,0,0,0,1|2,0,0]=4 4197 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [0,1,0,0,0,1|1,0,0]=3 4198 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [0,1,0,0,0,1|1,0,0]=3 4199 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000174002_200000034859 [0,1,0,0,0,1|2,0,0]=4 4200 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000181464_100000751147 [0,1,0,0,0,1|2,0,0]=4 4201 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [0,1,0,0,0,1|1,0,0]=3 4202 B11R0.147 CSCCC(=O)CCOC(=O)N 1458a_100000174002_200011214921 [0,1,0,0,0,1|2,0,0]=4 4203 B11R0.147 CSCCC(=O)CCSC(=O)C 1458a_100000048949_100000751147 [0,1,0,0,0,1|1,0,0]=3 4204 B11R0.147 CSCCC(=O)COCC(=O)N 1458a_100011219004_100000751147 [0,1,0,0,0,1|2,0,0]=4 4205 B11R0.147 CSCCC(=O)NCCC(=O)N 11a_100000740010_100000174002 [0,1,0,0,0,1|2,0,0]=4 4206 B11R0.147 CSCCC(=O)NCCC(=O)N 240690a_100000740010_100000174002 [0,1,0,0,0,1|2,0,0]=4 4207 B11R0.147 CSCCC(=O)NCCC(=O)N 527a_100000740010_100000174002 [0,1,0,0,0,1|2,0,0]=4 4208 B11R0.147 NC(=O)CCNC(=O)NCCF 273464a_100000724931_100000740010 [0,1,0,0,0,1|2,0,0]=4 4209 B11R0.147 NC(=O)CCNC(=O)NCCF 273464a_100000740010_100000724931 [0,1,0,0,0,1|2,0,0]=4 4210 B11R0.147 NC(=O)CCNC(=O)NCCO 273464a_100000210304_100000740010 [0,1,0,0,0,1|2,0,0]=4 4211 B11R0.147 NC(=O)CCNC(=O)NCCO 273464a_100000740010_100000210304 [0,1,0,0,0,1|2,0,0]=4 4212 B11R0.147 NC(=O)CNCC(=O)NCCF 2230a_100000725713_100000747473 [0,1,0,0,0,1|2,0,0]=4 4213 B11R0.147 NC(=O)COCC(=O)CCCF 1458a_100011219004_100011934791 [0,1,0,0,0,1|2,0,0]=4 4214 B11R0.147 NC(=O)COCC(=O)CCCO 1458a_100011219004_100011215043 [0,1,0,0,0,1|2,0,0]=4 4215 B11R0.147 NC(=O)COCC(=O)NCCF 1626a_100000724931_100011219004 [0,1,0,0,0,1|2,0,0]=4 4216 B11R0.147 NC(=O)COCC(=O)NCCF 240690a_100000724931_100011219004 [0,1,0,0,0,1|2,0,0]=4 4217 B11R0.147 NC(=O)COCC(=O)NCCF 527a_100000724931_100011219004 [0,1,0,0,0,1|2,0,0]=4 4218 B11R0.147 NC(=O)COCC(=O)NCCO 240690a_100000210304_100011219004 [0,1,0,0,0,1|2,0,0]=4 4219 B11R0.147 NC(=O)COCC(=O)NCCO 527a_100000210304_100011219004 [0,1,0,0,0,1|2,0,0]=4 4220 B11R0.147 NC(=O)CSCC(=O)NCCF 11a_100000724931_100000150265 [0,1,0,0,0,1|2,0,0]=4 4221 B11R0.147 NC(=O)CSCC(=O)NCCF 240690a_100000724931_100000150265 [0,1,0,0,0,1|2,0,0]=4 4222 B11R0.147 NC(=O)CSCC(=O)NCCF 527a_100000724931_100000150265 [0,1,0,0,0,1|2,0,0]=4 4223 B11R0.147 NC(=O)CSCC(=O)NCCO 240690a_100000210304_100000150265 [0,1,0,0,0,1|2,0,0]=4 4224 B11R0.147 NC(=O)CSCC(=O)NCCO 527a_100000210304_100000150265 [0,1,0,0,0,1|2,0,0]=4 4225 B11R0.147 NC(=O)NCCC(=O)CCCF 1458a_100000181464_100011934791 [0,1,0,0,0,1|2,0,0]=4 4226 B11R0.147 NC(=O)NCCC(=O)CCCO 1458a_100000181464_100011215043 [0,1,0,0,0,1|2,0,0]=4 4227 B11R0.147 NC(=O)NCCC(=O)NCCF 240690a_100000724931_100000181464 [0,1,0,0,0,1|2,0,0]=4 4228 B11R0.147 NC(=O)NCCC(=O)NCCF 527a_100000724931_100000181464 [0,1,0,0,0,1|2,0,0]=4 4229 B11R0.147 NC(=O)NCCC(=O)NCCO 240690a_100000210304_100000181464 [0,1,0,0,0,1|2,0,0]=4 4230 B11R0.147 NC(=O)NCCC(=O)NCCO 527a_100000210304_100000181464 [0,1,0,0,0,1|2,0,0]=4 4231 B11R0.174 C#CC(=O)CCCC(=O)OCC 1458a_100000211873_100011215271 [0,1,0,0,0,1|0,0,1]=3 4232 B11R0.174 C#CC(=O)CCNC(=O)OCC 1458a_100000211873_200011445536 [0,1,0,0,0,1|0,0,1]=3 4233 B11R0.174 C#CC(C)NCCC(=O)OCC 2230a_100000707721_100011206558 [0,1,0,0,0,1|1,0,1]=4 4234 B11R0.174 C#CC(C)NCCC(=O)OCC 34a_100000707721_100000765890 [0,1,0,0,0,1|1,0,1]=4 4235 B11R0.174 C#CC(C)SCCC(=O)OCC 62a_200000035995_100000765890 [0,1,0,0,0,1|1,0,1]=4 4236 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [0,1,0,0,0,1|1,0,1]=4 4237 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [0,1,0,0,0,1|1,0,1]=4 4238 B11R0.174 C=C(C#N)CSCC(=O)OCC 62a_100000188475_100000694840 [0,1,0,0,0,1|1,0,1]=4 4239 B11R0.174 C=CC(=O)CCCC(=O)OCC 1458a_100000185746_100011215271 [0,1,0,0,0,1|0,0,1]=3 4240 B11R0.174 C=CC(=O)CCNC(=O)OCC 1458a_100000185746_200011445536 [0,1,0,0,0,1|0,0,1]=3 4241 B11R0.174 C=CC(=O)NCCC(=O)NCC 1626a_100025743525_100000185746 [0,1,0,0,0,1|1,0,1]=4 4242 B11R0.174 C=CC(=O)NCCC(=O)NCC 240690a_100025743525_200121576911 [0,1,0,0,0,1|1,0,1]=4 4243 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000065099_100000210303 [0,1,0,0,0,1|1,0,1]=4 4244 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000211992_100009813456 [0,1,0,0,0,1|1,0,1]=4 4245 B11R0.174 C=CC(=O)OCCC(=O)NCC 240690a_100015525214_100000065099 [0,1,0,0,0,1|1,0,1]=4 4246 B11R0.174 C=CC(C)COCC(=O)OCC 34a_100011215527_100000188475 [0,1,0,0,0,1|1,0,1]=4 4247 B11R0.174 C=CC(C)COCC(=O)OCC 7a_100011215527_100000188475 [0,1,0,0,0,1|1,0,1]=4 4248 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [0,1,0,0,0,1|1,0,1]=4 4249 B11R0.174 C=CC(C)SCCC(=O)OCC 62a_100011215867_100000765890 [0,1,0,0,0,1|1,0,1]=4 4250 B11R0.174 C=COC(=O)CNCC(=O)NC 2230a_100000693194_100000036128 [0,1,0,0,0,1|0,0,2]=4 4251 B11R0.174 C=COC(=O)COCC(=O)CC 34a_100000725409_100000036128 [0,1,0,0,0,1|0,0,2]=4 4252 B11R0.174 C=COC(=O)COCC(=O)NC 34a_100000750040_100000036128 [0,1,0,0,0,1|0,0,2]=4 4253 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000036128_100000747405 [0,1,0,0,0,1|0,0,2]=4 4254 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000747405_100000036128 [0,1,0,0,0,1|0,0,2]=4 4255 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000036128_100000183359 [0,1,0,0,0,1|0,0,2]=4 4256 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000183359_100000036128 [0,1,0,0,0,1|0,0,2]=4 4257 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000036128_100000747449 [0,1,0,0,0,1|0,0,2]=4 4258 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000747449_100000036128 [0,1,0,0,0,1|0,0,2]=4 4259 B11R0.174 CC#CC(=O)CCCC(=O)NC 1458a_100000763181_100000741757 [0,1,0,0,0,1|1,0,1]=4 4260 B11R0.174 CC#CC(=O)CCCC(=O)OC 1458a_100000763181_100011218270 [0,1,0,0,0,1|1,0,1]=4 4261 B11R0.174 CC#CC(=O)CCOC(=O)NC 1458a_100000763181_200011997002 [0,1,0,0,0,1|1,0,1]=4 4262 B11R0.174 CC=CC(=O)CCCC(=O)NC 1458a_100000210699_100000741757 [0,1,0,0,0,1|1,0,1]=4 4263 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,1,0,0,0,1|1,0,1]=4 4264 B11R0.174 CC=CC(=O)CCOC(=O)NC 1458a_100000210699_200011997002 [0,1,0,0,0,1|1,0,1]=4 4265 B11R0.174 CC=CC(=O)NCCC(=O)NC 11a_100000738227_100000210699 [0,1,0,0,0,1|1,0,1]=4 4266 B11R0.174 CC=CC(=O)NCCC(=O)NC 240690a_100000738227_100000210699 [0,1,0,0,0,1|1,0,1]=4 4267 B11R0.174 CC=CC(=O)NCCC(=O)OC 188690a_100000683876_100000210699 [0,1,0,0,0,1|1,0,1]=4 4268 B11R0.174 CCC(=O)COCC(=O)NCO 34a_100000725409_100000185155 [0,1,0,0,0,1|2,0,0]=4 4269 B11R0.174 CCC(=O)CSCC(=O)NCO 62a_100000185155_100000747405 [0,1,0,0,0,1|2,0,0]=4 4270 B11R0.174 CCC(=O)CSCC(=O)NCO 62a_100000747405_100000185155 [0,1,0,0,0,1|2,0,0]=4 4271 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,1|1,0,0]=3 4272 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,1|1,0,0]=3 4273 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,1|1,0,0]=3 4274 B11R0.174 CCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210303 [0,1,0,0,0,1|2,0,0]=4 4275 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,0,0,0,1|1,0,0]=3 4276 B11R0.174 CCCC(=O)CNCC(=O)NC 2230a_100000693194_100000747444 [0,1,0,0,0,1|1,0,0]=3 4277 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,1,0,0,0,1|1,0,0]=3 4278 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,1,0,0,0,1|1,0,0]=3 4279 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000183359_100000747444 [0,1,0,0,0,1|1,0,0]=3 4280 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000747444_100000183359 [0,1,0,0,0,1|1,0,0]=3 4281 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,1,0,0,0,1|1,0,0]=3 4282 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,1,0,0,0,1|1,0,0]=3 4283 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,1,0,0,0,1|1,0,0]=3 4284 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,1,0,0,0,1|1,0,0]=3 4285 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,1,0,0,0,1|1,0,0]=3 4286 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,1,0,0,0,1|1,0,0]=3 4287 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,1,0,0,0,1|1,0,0]=3 4288 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,1,0,0,0,1|1,0,0]=3 4289 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,1,0,0,0,1|1,0,0]=3 4290 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,1,0,0,0,1|1,0,0]=3 4291 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,1,0,0,0,1|1,0,0]=3 4292 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,1,0,0,0,1|1,0,0]=3 4293 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,1,0,0,0,1|1,0,0]=3 4294 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,1,0,0,0,1|1,0,0]=3 4295 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,1,0,0,0,1|1,0,0]=3 4296 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,1,0,0,0,1|1,0,0]=3 4297 B11R0.174 CCNC(=O)CCCN(C)N=O 11a_100015525214_200000076914 [0,1,0,0,0,1|2,0,0]=4 4298 B11R0.174 CCNC(=O)CCCN(C)N=O 240690a_100015525214_200000076914 [0,1,0,0,0,1|2,0,0]=4 4299 B11R0.174 CCNC(=O)CCCN(C)N=O 527a_100015525214_200000076914 [0,1,0,0,0,1|2,0,0]=4 4300 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,1,0,0,0,1|1,0,0]=3 4301 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,1,0,0,0,1|1,0,0]=3 4302 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,1,0,0,0,1|1,0,0]=3 4303 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,1,0,0,0,1|1,0,0]=3 4304 B11R0.174 CCNC(=O)CCNC(=O)CO 240690a_100025743525_100000210174 [0,1,0,0,0,1|1,0,0]=3 4305 B11R0.174 CCNC(=O)CCNC(=O)CO 527a_100025743525_100000210174 [0,1,0,0,0,1|1,0,0]=3 4306 B11R0.174 CCNC(=O)CCNC(=O)NC 2708a_100102657272_100025743525 [0,1,0,0,0,1|1,0,0]=3 4307 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100025743525_100102657272 [0,1,0,0,0,1|1,0,0]=3 4308 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100102657272_100025743525 [0,1,0,0,0,1|1,0,0]=3 4309 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_100025743525_100102657272 [0,1,0,0,0,1|1,0,0]=3 4310 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_106832991638_100025743525 [0,1,0,0,0,1|1,0,0]=3 4311 B11R0.174 CCNC(=O)CNCC(=O)NC 2230a_100000693194_100000183381 [0,1,0,0,0,1|1,0,0]=3 4312 B11R0.174 CCNC(=O)CNCC(=O)NC 2230a_100016988866_100000183359 [0,1,0,0,0,1|1,0,0]=3 4313 B11R0.174 CCNC(=O)CNCC(=O)OC 2230a_100016988866_100000747449 [0,1,0,0,0,1|1,0,0]=3 4314 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,1,0,0,0,1|1,0,0]=3 4315 B11R0.174 CCNC(=O)COCC(=O)NC 34a_100000750040_100000183381 [0,1,0,0,0,1|1,0,0]=3 4316 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,1,0,0,0,1|1,0,0]=3 4317 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,1,0,0,0,1|1,0,0]=3 4318 B11R0.174 CCNC(=O)CSCC(=O)NC 62a_100000183359_100000183381 [0,1,0,0,0,1|1,0,0]=3 4319 B11R0.174 CCNC(=O)CSCC(=O)NC 62a_100000183381_100000183359 [0,1,0,0,0,1|1,0,0]=3 4320 B11R0.174 CCNC(=O)CSCC(=O)OC 11a_100015525214_100000191316 [0,1,0,0,0,1|1,0,0]=3 4321 B11R0.174 CCNC(=O)CSCC(=O)OC 240690a_100015525214_100000191316 [0,1,0,0,0,1|1,0,0]=3 4322 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000183381_100000747449 [0,1,0,0,0,1|1,0,0]=3 4323 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000747449_100000183381 [0,1,0,0,0,1|1,0,0]=3 4324 B11R0.174 CCNC(=O)NCCC(=O)NC 2708a_100015525214_100000738227 [0,1,0,0,0,1|1,0,0]=3 4325 B11R0.174 CCNC(=O)NCCC(=O)NC 273464a_100000738227_100015525214 [0,1,0,0,0,1|1,0,0]=3 4326 B11R0.174 CCNC(=O)NCCC(=O)NC 273464a_100015525214_100000738227 [0,1,0,0,0,1|1,0,0]=3 4327 B11R0.174 CCNC(=O)NCCC(=O)NC 512a_100000738227_100015525214 [0,1,0,0,0,1|1,0,0]=3 4328 B11R0.174 CCNC(=O)NCCC(=O)NC 512a_100015525214_100000738227 [0,1,0,0,0,1|1,0,0]=3 4329 B11R0.174 CCNC(=S)SCCC(=O)CC 1458a_200009862762_100000210202 [0,1,0,0,0,1|1,1,0]=4 4330 B11R0.174 CCNC(=S)SCCC(=O)CF 1458a_200009862762_100015361967 [0,1,0,0,0,1|1,1,0]=4 4331 B11R0.174 CCNC(=S)SCCC(=O)NC 11a_106832991635_200009862762 [0,1,0,0,0,1|1,1,0]=4 4332 B11R0.174 CCNC(=S)SCCC(=O)NC 1626a_100102657272_200009862762 [0,1,0,0,0,1|1,1,0]=4 4333 B11R0.174 CCNC(=S)SCCC(=O)NC 240690a_100102657272_200009862762 [0,1,0,0,0,1|1,1,0]=4 4334 B11R0.174 CCOC(=O)C=NNC(=O)CC 4a_100000183195_100000742314 [0,1,0,0,0,1|1,0,1]=4 4335 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,1|0,0,0]=2 4336 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,1|0,0,0]=2 4337 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,1,0,0,0,1|0,0,0]=2 4338 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,1|0,0,0]=2 4339 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,1|0,0,0]=2 4340 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,1|0,0,0]=2 4341 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,1|0,0,0]=2 4342 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,1|0,0,0]=2 4343 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,1,0,0,0,1|2,0,0]=4 4344 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,1,0,0,0,1|2,0,0]=4 4345 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,1,0,0,0,1|0,0,0]=2 4346 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,1,0,0,0,1|0,0,0]=2 4347 B11R0.174 CCOC(=O)CCNC(C)C#N 2230a_100000737613_100011206558 [0,1,0,0,0,1|1,0,1]=4 4348 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,1,0,0,0,1|1,0,1]=4 4349 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,1,0,0,0,1|0,0,2]=4 4350 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [0,1,0,0,0,1|1,0,1]=4 4351 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,1,0,0,0,1|1,0,1]=4 4352 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,1,0,0,0,1|1,0,1]=4 4353 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,1,0,0,0,1|1,0,1]=4 4354 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,1,0,0,0,1|1,0,1]=4 4355 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000703298_100000765890 [0,1,0,0,0,1|1,0,1]=4 4356 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000765890_100000703298 [0,1,0,0,0,1|1,0,1]=4 4357 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,1,0,0,0,1|1,0,1]=4 4358 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,1,0,0,0,1|1,0,1]=4 4359 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,1,0,0,0,1|0,0,2]=4 4360 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,1,0,0,0,1|0,0,2]=4 4361 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,1,0,0,0,1|0,0,2]=4 4362 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,1,0,0,0,1|0,0,2]=4 4363 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,1,0,0,0,1|0,0,2]=4 4364 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,1,0,0,0,1|0,0,0]=2 4365 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,1,0,0,0,1|1,0,1]=4 4366 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,1,0,0,0,1|0,0,2]=4 4367 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,1,0,0,0,1|0,0,2]=4 4368 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,1,0,0,0,1|0,0,2]=4 4369 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,1,0,0,0,1|1,0,1]=4 4370 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,1,0,0,0,1|0,0,2]=4 4371 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,1,0,0,0,1|0,0,0]=2 4372 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,1,0,0,0,1|0,0,0]=2 4373 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,1,0,0,0,1|1,0,1]=4 4374 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,1,0,0,0,1|0,0,2]=4 4375 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,1,0,0,0,1|1,0,1]=4 4376 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,1,0,0,0,1|1,0,1]=4 4377 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,1,0,0,0,1|1,0,1]=4 4378 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,1,0,0,0,1|0,0,0]=2 4379 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,1,0,0,0,1|0,0,0]=2 4380 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,1,0,0,0,1|0,0,0]=2 4381 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,1,0,0,0,1|0,0,0]=2 4382 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,1,0,0,0,1|0,0,0]=2 4383 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,1,0,0,0,1|0,0,0]=2 4384 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,1,0,0,0,1|1,0,1]=4 4385 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,1,0,0,0,1|1,0,1]=4 4386 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,1,0,0,0,1|0,0,2]=4 4387 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,1,0,0,0,1|0,0,2]=4 4388 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,1,0,0,0,1|0,0,2]=4 4389 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,1,0,0,0,1|0,0,2]=4 4390 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,1,0,0,0,1|1,0,1]=4 4391 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,1,0,0,0,1|1,0,1]=4 4392 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,1,0,0,0,1|0,0,2]=4 4393 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,1,0,0,0,1|0,0,2]=4 4394 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,1,0,0,0,1|0,0,2]=4 4395 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,1,0,0,0,1|0,0,2]=4 4396 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,1,0,0,0,1|0,0,2]=4 4397 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,1,0,0,0,1|0,0,2]=4 4398 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,1,0,0,0,1|0,0,0]=2 4399 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,1,0,0,0,1|0,0,0]=2 4400 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,1,0,0,0,1|2,0,0]=4 4401 B11R0.174 CNC(=O)CCCC(=O)CCO 1458a_100011216618_100000741757 [0,1,0,0,0,1|2,0,0]=4 4402 B11R0.174 CNC(=O)CCCC(=O)COC 1458a_100000210968_100000741757 [0,1,0,0,0,1|2,0,0]=4 4403 B11R0.174 CNC(=O)CCCC(=O)CSC 1458a_100000184570_100000741757 [0,1,0,0,0,1|2,0,0]=4 4404 B11R0.174 CNC(=O)CCNC(=O)CCO 240690a_100000738227_100011216618 [0,1,0,0,0,1|2,0,0]=4 4405 B11R0.174 CNC(=O)CCNC(=O)COC 11a_100000738227_100000210968 [0,1,0,0,0,1|2,0,0]=4 4406 B11R0.174 CNC(=O)CCNC(=O)COC 240690a_100000738227_100000210968 [0,1,0,0,0,1|2,0,0]=4 4407 B11R0.174 CNC(=O)CCNC(=O)COC 527a_100000738227_100000210968 [0,1,0,0,0,1|2,0,0]=4 4408 B11R0.174 CNC(=O)CCNC(=O)CSC 11a_100000738227_100000184570 [0,1,0,0,0,1|2,0,0]=4 4409 B11R0.174 CNC(=O)CCNC(=O)CSC 240690a_100000738227_100000184570 [0,1,0,0,0,1|2,0,0]=4 4410 B11R0.174 CNC(=O)CCNC(=O)CSC 527a_100000738227_100000184570 [0,1,0,0,0,1|2,0,0]=4 4411 B11R0.174 CNC(=O)CNCC(=O)NCO 2230a_100000693194_100000185155 [0,1,0,0,0,1|2,0,0]=4 4412 B11R0.174 CNC(=O)COCC(=O)NCO 34a_100000750040_100000185155 [0,1,0,0,0,1|2,0,0]=4 4413 B11R0.174 CNC(=O)CSCC(=O)NCO 62a_100000183359_100000185155 [0,1,0,0,0,1|2,0,0]=4 4414 B11R0.174 CNC(=O)CSCC(=O)NCO 62a_100000185155_100000183359 [0,1,0,0,0,1|2,0,0]=4 4415 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,1,0,0,0,1|2,0,0]=4 4416 B11R0.174 CNC(=O)OCCC(=O)COC 1458a_100000210968_200011997002 [0,1,0,0,0,1|2,0,0]=4 4417 B11R0.174 CNC(=O)OCCC(=O)CSC 1458a_100000184570_200011997002 [0,1,0,0,0,1|2,0,0]=4 4418 B11R0.174 CNCC(=O)NCCC(=O)OC 2230a_106832991635_100000230212 [0,1,0,0,0,1|2,0,0]=4 4419 B11R0.174 CNCC(=O)NCCC(=O)OC 34a_100102657272_100000230212 [0,1,0,0,0,1|2,0,0]=4 4420 B11R0.174 CNCC(=O)NCCC(=O)OC 7a_106832991635_100000230212 [0,1,0,0,0,1|2,0,0]=4 4421 B11R0.174 CNNC(=O)CCCC(=O)OC 22a_100016993582_100000239890 [0,1,0,0,0,1|2,0,0]=4 4422 B11R0.174 CNNC(=O)CSCC(=O)OC 22a_100016993582_100000191316 [0,1,0,0,0,1|2,0,0]=4 4423 B11R0.174 CNNC(=O)NCCC(=O)NC 273464a_100000738227_100016993582 [0,1,0,0,0,1|2,0,0]=4 4424 B11R0.174 CNNC(=O)NCCC(=O)NC 512a_100000738227_100016993582 [0,1,0,0,0,1|2,0,0]=4 4425 B11R0.174 CNNC(=O)NCCC(=O)NC 512a_100016993582_100000738227 [0,1,0,0,0,1|2,0,0]=4 4426 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [0,1,0,0,0,1|2,0,0]=4 4427 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [0,1,0,0,0,1|2,0,0]=4 4428 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [0,1,0,0,0,1|2,0,0]=4 4429 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [0,1,0,0,0,1|2,0,0]=4 4430 B11R0.174 COC(=O)CCNC(=O)CSC 188690a_100000683876_100000184570 [0,1,0,0,0,1|2,0,0]=4 4431 B11R0.174 COC(=O)CCNC(=O)CSC 62a_100000230212_200000210301 [0,1,0,0,0,1|2,0,0]=4 4432 B11R0.174 COC(=O)CCNC(=O)CSC 62a_200000210301_100000230212 [0,1,0,0,0,1|2,0,0]=4 4433 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_100000230212_200025704644 [0,1,0,0,0,1|2,0,0]=4 4434 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_200025704644_100000230212 [0,1,0,0,0,1|2,0,0]=4 4435 B11R0.174 COC(=O)CSCC(=O)CCF 1458a_100000191316_100011217306 [0,1,0,0,0,1|2,0,0]=4 4436 B11R0.174 COC(=O)CSCC(=O)CCO 1458a_100000191316_100000211926 [0,1,0,0,0,1|2,0,0]=4 4437 B11R0.174 COC(=O)CSCC(=O)NCO 62a_100000185155_100000747449 [0,1,0,0,0,1|2,0,0]=4 4438 B11R0.174 COC(=O)CSCC(=O)NCO 62a_100000747449_100000185155 [0,1,0,0,0,1|2,0,0]=4 4439 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [0,1,0,0,0,1|2,0,0]=4 4440 B11R0.174 COCC(=O)NCCC(=O)OC 188690a_100000683876_100000210968 [0,1,0,0,0,1|2,0,0]=4 4441 B11R0.174 COCC(=O)NCCC(=O)OC 34a_100138415774_100000230212 [0,1,0,0,0,1|2,0,0]=4 4442 B11R0.180 CCCC(=O)CCCS(=O)(=O)C 1458a_100000211992_100000754308 [0,1,0,0,0,1|2,0,0]=4 4443 B11R0.180 CCCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210303 [0,1,0,0,0,1|2,0,0]=4 4444 B11R0.180 CCCC(=O)CCNS(=O)(=O)C 1458a_100000211992_100000754112 [0,1,0,0,0,1|2,0,0]=4 4445 B11R0.180 CCCC(=O)CCOS(=O)(=O)C 1458a_100000211992_200000036756 [0,1,0,0,0,1|2,0,0]=4 4446 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000211992 [0,1,0,0,0,1|2,0,0]=4 4447 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000211992 [0,1,0,0,0,1|2,0,0]=4 4448 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000211992 [0,1,0,0,0,1|2,0,0]=4 4449 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000211992 [0,1,0,0,0,1|2,0,0]=4 4450 B11R0.180 CCNC(=O)CCNS(=O)(=O)C 240690a_100015525214_100000165793 [0,1,0,0,0,1|2,0,0]=4 4451 B11R0.180 CCNC(=O)CCNS(=O)(=O)C 40a_100025743525_100000738038 [0,1,0,0,0,1|2,0,0]=4 4452 B11R0.180 CCNC(=O)CCNS(=O)(=O)C 527a_100015525214_100000165793 [0,1,0,0,0,1|2,0,0]=4 4453 B11R0.180 CCNC(=O)NCCS(=O)(=O)C 2708a_100000740961_100015525214 [0,1,0,0,0,1|2,0,0]=4 4454 B11R0.180 CCNC(=O)NCCS(=O)(=O)C 2708a_100015525214_100000740961 [0,1,0,0,0,1|2,0,0]=4 4455 B11R0.180 CCNC(=O)NCCS(=O)(=O)C 273464a_100000740961_100015525214 [0,1,0,0,0,1|2,0,0]=4 4456 B11R0.180 CCNC(=O)NCCS(=O)(=O)C 273464a_100015525214_100000740961 [0,1,0,0,0,1|2,0,0]=4 4457 B11R0.180 CCNC(=O)NCCS(=O)(=O)C 512a_100000740961_100015525214 [0,1,0,0,0,1|2,0,0]=4 4458 B11R0.180 CCNC(=O)NCCS(=O)(=O)C 512a_100015525214_100000740961 [0,1,0,0,0,1|2,0,0]=4 4459 B11R0.180 CCOC(=O)CCNC(C)(C)C 2230a_100000715429_100011206558 [0,1,0,0,0,1|1,0,1]=4 4460 B11R0.180 CCOC(=O)CCOC(C)(C)C 34a_100015890283_100000765890 [0,1,0,0,0,1|1,0,1]=4 4461 B11R0.180 CCOC(=O)CCOC(C)(C)C 7a_100015890283_100011206558 [0,1,0,0,0,1|1,0,1]=4 4462 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000211941_100000765890 [0,1,0,0,0,1|1,0,1]=4 4463 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000765890_100000211941 [0,1,0,0,0,1|1,0,1]=4 4464 B11R0.180 CCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000188475 [0,1,0,0,0,1|1,0,1]=4 4465 B11R0.180 CCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000188475 [0,1,0,0,0,1|1,0,1]=4 4466 B11R0.180 CCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000188475 [0,1,0,0,0,1|0,0,2]=4 4467 B11R0.180 CCOC(=O)COCC(C)(C)F 34a_100000716592_100000188475 [0,1,0,0,0,1|1,0,1]=4 4468 B11R0.180 CCOC(=O)COCC(C)(F)F 34a_100000068830_100000188475 [0,1,0,0,0,1|1,0,1]=4 4469 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100000188475_100011219605 [0,1,0,0,0,1|1,0,1]=4 4470 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100011219605_100000188475 [0,1,0,0,0,1|1,0,1]=4 4471 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100000188475_100011997219 [0,1,0,0,0,1|1,0,1]=4 4472 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100011997219_100000188475 [0,1,0,0,0,1|1,0,1]=4 4473 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000188475_100000764493 [0,1,0,0,0,1|0,0,2]=4 4474 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000764493_100000188475 [0,1,0,0,0,1|0,0,2]=4 4475 B11R0.180 CCOC(=O)CSCS(=O)(=O)N 62a_100000188475_100000741382 [0,1,0,0,0,1|2,0,0]=4 4476 B11R0.180 CCOC(=O)CSCS(=O)(=O)N 62a_100000741382_100000188475 [0,1,0,0,0,1|2,0,0]=4 4477 B11R0.180 CCOC(=O)CSCS(=O)(=O)[O-] 62a_100000188475_100009817235 [0,1,0,0,0,1|2,0,0]=4 4478 B11R0.180 CCOC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000188475 [0,1,0,0,0,1|2,0,0]=4 4479 B11R0.180 CCOC(=O)CSC[N+](C)(C)C 62a_100000188475_200000036245 [0,1,0,0,0,1|2,0,0]=4 4480 B11R0.180 CCOC(=O)CSC[N+](C)(C)C 62a_200000036245_100000188475 [0,1,0,0,0,1|2,0,0]=4 4481 B11R0.180 CCOC(=O)CSC[Si](C)(C)C 62a_100000037933_100000188475 [0,1,0,0,0,1|1,1,0]=4 4482 B11R0.180 CCOC(=O)CSC[Si](C)(C)C 62a_100000188475_100000037933 [0,1,0,0,0,1|1,1,0]=4 4483 B11R0.10 CCOC(=S)SC(C)(C)C(=O)C 1458a_200010117166_200000210301 [0,2,0,0,0,0|1,1,0]=4 4484 B11R0.10 CCOC(=S)SC(C)(C)C(=O)[13CH3] 1458a_200010117166_200025704644 [0,2,0,0,0,0|1,1,0]=4 4485 B11R0.33 C=C(C)C(=O)CC(=O)OC(C)C 1458a_100000185857_100011215430 [0,2,0,0,0,0|1,0,1]=4 4486 B11R0.33 CC(=O)C(=O)CC(=O)CC(C)C 1458a_100000210554_100011261029 [0,2,0,0,0,0|1,0,1]=4 4487 B11R0.33 CC(=O)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011261029 [0,2,0,0,0,0|1,0,1]=4 4488 B11R0.33 CC(=O)C(C)OC(=O)OC(C)C 1458a_100000070787_100000067433 [0,2,0,0,0,0|1,0,0]=3 4489 B11R0.33 CC(=O)N(C)CC(=O)CC(C)C 1458a_100000194957_100000210624 [0,2,0,0,0,0|2,0,0]=4 4490 B11R0.33 CC(=O)N(C)CC(=O)CC(C)O 1458a_100000194957_100011218427 [0,2,0,0,0,0|2,0,0]=4 4491 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 11a_100000168146_100015343762 [0,2,0,0,0,0|2,0,0]=4 4492 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 11a_100138425928_100000194957 [0,2,0,0,0,0|2,0,0]=4 4493 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 1626a_100000168146_100015343762 [0,2,0,0,0,0|2,0,0]=4 4494 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 1626a_100138425928_100000194957 [0,2,0,0,0,0|2,0,0]=4 4495 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 240690a_100000168146_100015343762 [0,2,0,0,0,0|2,0,0]=4 4496 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 240690a_100138425928_100000194957 [0,2,0,0,0,0|2,0,0]=4 4497 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 527a_100000168146_100103153847 [0,2,0,0,0,0|2,0,0]=4 4498 B11R0.33 CC(=O)N(C)CC(=O)NC(C)C 527a_100138425928_100000194957 [0,2,0,0,0,0|2,0,0]=4 4499 B11R0.54 CCOC(=O)CN(C)S(=O)(=O)C 40a_100000220588_100000738038 [0,2,0,0,0,0|2,0,0]=4 4500 B11R0.55 CCOC(=O)CN(CC)C(=O)C 11a_100000220607_100015343762 [0,2,0,0,0,0|1,0,0]=3 4501 B11R0.55 CCOC(=O)CN(CC)C(=O)C 1626a_100000220607_100015343762 [0,2,0,0,0,0|1,0,0]=3 4502 B11R0.55 CCOC(=O)CN(CC)C(=O)C 240690a_100000220607_100015343762 [0,2,0,0,0,0|1,0,0]=3 4503 B11R0.55 CCOC(=O)CN(CC)C(=O)C 527a_100000220607_100103153847 [0,2,0,0,0,0|1,0,0]=3 4504 B11R0.58 C=C(C)C(=O)C(C)C(=O)OCC 1458a_100000185857_100011216346 [0,2,0,0,0,0|1,0,1]=4 4505 B11R0.58 C=C(C)C(=O)C(F)C(=O)OCC 1458a_100000185857_100000760018 [0,2,0,0,0,0|1,0,1]=4 4506 B11R0.58 CCNC(=O)C(=O)C(C)C(=O)C 1458a_200011297158_100000179758 [0,2,0,0,0,0|1,0,1]=4 4507 B11R0.117 CCC(C)C(=O)CC(=O)C(=O)C 1458a_100011192722_100011261029 [0,2,0,0,0,0|1,0,1]=4 4508 B11R0.117 CCC(C)C(=O)CN(C)C(=O)C 1458a_100000194957_100000758301 [0,2,0,0,0,0|2,0,0]=4 4509 B11R0.117 CCC(O)C(=O)CC(=O)C(=O)C 1458a_100011196387_100011261029 [0,2,0,0,0,0|1,0,1]=4 4510 B11R0.117 CCN(C)C(=O)CN(C)C(=O)C 11a_100000225621_100000194957 [0,2,0,0,0,0|2,0,0]=4 4511 B11R0.117 CCN(C)C(=O)CN(C)C(=O)C 1626a_100000225621_100000194957 [0,2,0,0,0,0|2,0,0]=4 4512 B11R0.117 CCN(C)C(=O)CN(C)C(=O)C 240690a_100000225621_100000194957 [0,2,0,0,0,0|2,0,0]=4 4513 B11R0.117 CCN(C)C(=O)CN(C)C(=O)C 527a_100000225621_100000194957 [0,2,0,0,0,0|2,0,0]=4 4514 B11R0.163 C=C(C)C(=O)CC(=O)OCCC 1458a_100000185857_200011215008 [0,2,0,0,0,0|1,0,1]=4 4515 B11R0.163 CC(=O)N(C)CC(=O)CCCF 1458a_100000194957_100011934791 [0,2,0,0,0,0|2,0,0]=4 4516 B11R0.163 CC(=O)N(C)CC(=O)CCCO 1458a_100000194957_100011215043 [0,2,0,0,0,0|2,0,0]=4 4517 B11R0.163 CC(=O)N(C)CC(=O)NCCF 11a_100000724931_100000194957 [0,2,0,0,0,0|2,0,0]=4 4518 B11R0.163 CC(=O)N(C)CC(=O)NCCF 1626a_100000724931_100000194957 [0,2,0,0,0,0|2,0,0]=4 4519 B11R0.163 CC(=O)N(C)CC(=O)NCCF 240690a_100000724931_100000194957 [0,2,0,0,0,0|2,0,0]=4 4520 B11R0.163 CC(=O)N(C)CC(=O)NCCF 527a_100000724931_100000194957 [0,2,0,0,0,0|2,0,0]=4 4521 B11R0.163 CC(=O)N(C)CC(=O)NCCO 240690a_100000210304_100000194957 [0,2,0,0,0,0|2,0,0]=4 4522 B11R0.163 CC(=O)N(C)CC(=O)NCCO 527a_100000210304_100000194957 [0,2,0,0,0,0|2,0,0]=4 4523 B11R0.163 CCC#CC(=O)CC(=O)C(=O)C 1458a_100011827653_100011261029 [0,2,0,0,0,0|1,0,1]=4 4524 B11R0.163 CCC=CC(=O)CC(=O)C(=O)C 1458a_100000212282_100011261029 [0,2,0,0,0,0|1,0,1]=4 4525 B11R0.163 CCCCC(=O)CC(=O)C(=O)C 1458a_100000210183_100011261029 [0,2,0,0,0,0|1,0,1]=4 4526 B11R0.163 CCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210211 [0,2,0,0,0,0|2,0,0]=4 4527 B11R0.163 CCCNC(=O)CN(C)C(=O)C 11a_100000684209_100015343762 [0,2,0,0,0,0|2,0,0]=4 4528 B11R0.163 CCCNC(=O)CN(C)C(=O)C 11a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 4529 B11R0.163 CCCNC(=O)CN(C)C(=O)C 1626a_100000684209_100015343762 [0,2,0,0,0,0|2,0,0]=4 4530 B11R0.163 CCCNC(=O)CN(C)C(=O)C 1626a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 4531 B11R0.163 CCCNC(=O)CN(C)C(=O)C 240690a_100000684209_100015343762 [0,2,0,0,0,0|2,0,0]=4 4532 B11R0.163 CCCNC(=O)CN(C)C(=O)C 240690a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 4533 B11R0.163 CCCNC(=O)CN(C)C(=O)C 527a_100000684209_100103153847 [0,2,0,0,0,0|2,0,0]=4 4534 B11R0.163 CCCNC(=O)CN(C)C(=O)C 527a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 4535 B11R0.163 CCNNC(=O)CN(C)C(=O)C 22a_100000756455_100000194957 [0,2,0,0,0,0|2,0,0]=4 4536 B11R0.163 CCOCC(=O)CC(=O)C(=O)C 1458a_100000211967_100011261029 [0,2,0,0,0,0|0,0,1]=3 4537 B11R0.163 CCOCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211967 [0,2,0,0,0,0|2,0,0]=4 4538 B11R0.163 CCOCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211967 [0,2,0,0,0,0|2,0,0]=4 4539 B11R0.163 CCOCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211967 [0,2,0,0,0,0|2,0,0]=4 4540 B11R0.163 CCSCC(=O)CC(=O)C(=O)C 1458a_100000230394_100011261029 [0,2,0,0,0,0|0,1,1]=4 4541 B11R0.163 COCCC(=O)CC(=O)C(=O)C 1458a_100000749529_100011261029 [0,2,0,0,0,0|1,0,1]=4 4542 B11R0.163 COCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000233755 [0,2,0,0,0,0|2,0,0]=4 4543 B11R0.163 CSCCC(=O)CC(=O)C(=O)C 1458a_100000174002_100011261029 [0,2,0,0,0,0|1,0,1]=4 4544 B11R0.163 CSCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000751147 [0,2,0,0,0,0|2,0,0]=4 4545 B11R0.187 C#CC(=O)C(C)CC(=O)OCC 1458a_100000211873_100009817359 [0,2,0,0,0,0|0,0,1]=3 4546 B11R0.187 C/C=C(\C)/C(=O)CC(=O)OCC 1458a_100020587367_100000188475 [0,2,0,0,0,0|1,0,1]=4 4547 B11R0.187 C=C(CC(=O)OCC)C(=O)NC 1626a_100102657272_200000043866 [0,2,0,0,0,0|0,0,1]=3 4548 B11R0.187 C=CC(=O)C(C)CC(=O)OCC 1458a_100000185746_100009817359 [0,2,0,0,0,0|0,0,1]=3 4549 B11R0.187 C=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000185746 [0,2,0,0,0,0|1,0,1]=4 4550 B11R0.187 C=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_200121576911 [0,2,0,0,0,0|1,0,1]=4 4551 B11R0.187 CCCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747444 [0,2,0,0,0,0|1,0,1]=4 4552 B11R0.187 CCCC(=O)NC(C)C(=O)CC 1458a_100000205598_100000210202 [0,2,0,0,0,0|2,0,0]=4 4553 B11R0.187 CCCC(=O)NC(C)C(=O)CF 1458a_100000205598_100015361967 [0,2,0,0,0,0|2,0,0]=4 4554 B11R0.187 CCCC(=O)NC(C)C(=O)NC 11a_106832991635_100000205598 [0,2,0,0,0,0|2,0,0]=4 4555 B11R0.187 CCCC(=O)NC(C)C(=O)NC 1626a_100102657272_100000205598 [0,2,0,0,0,0|2,0,0]=4 4556 B11R0.187 CCCC(=O)NC(C)C(=O)NC 240690a_100102657272_100000205598 [0,2,0,0,0,0|2,0,0]=4 4557 B11R0.187 CCCC(=O)NC(C)C(=O)NC 527a_100102657272_100000205598 [0,2,0,0,0,0|2,0,0]=4 4558 B11R0.187 CCCC(=O)N[C@H](C)C(=O)NC 11a_100000684985_100000211992 [0,2,0,0,0,0|2,0,0]=4 4559 B11R0.187 CCCC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_100000211992 [0,2,0,0,0,0|2,0,0]=4 4560 B11R0.187 CCCC(=O)N[C@H](C)C(=O)NC 527a_100000684985_100000211992 [0,2,0,0,0,0|2,0,0]=4 4561 B11R0.187 CCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000211992 [0,2,0,0,0,0|2,0,0]=4 4562 B11R0.187 CCNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183381 [0,2,0,0,0,0|1,0,1]=4 4563 B11R0.187 CCNC(=O)CN(C)C(=O)CC 11a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 4564 B11R0.187 CCNC(=O)CN(C)C(=O)CC 1626a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 4565 B11R0.187 CCNC(=O)CN(C)C(=O)CC 240690a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 4566 B11R0.187 CCNC(=O)CN(C)C(=O)CC 527a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 4567 B11R0.187 CCNC(=O)CN(C)C(=O)CO 240690a_100000741943_100000210174 [0,2,0,0,0,0|2,0,0]=4 4568 B11R0.187 CCNC(=O)CN(C)C(=O)CO 527a_100000741943_100000210174 [0,2,0,0,0,0|2,0,0]=4 4569 B11R0.187 CCNC(=O)CN(C)C(=O)NC 2708a_100102657272_100000741943 [0,2,0,0,0,0|2,0,0]=4 4570 B11R0.187 CCNC(=O)CN(C)C(=O)NC 273464a_100102657272_100000741943 [0,2,0,0,0,0|2,0,0]=4 4571 B11R0.187 CCNC(=O)N[C@H](C)C(=O)NC 2708a_100015525214_100000684985 [0,2,0,0,0,0|2,0,0]=4 4572 B11R0.187 CCNC(=O)N[C@H](C)C(=O)NC 273464a_100000684985_100015525214 [0,2,0,0,0,0|2,0,0]=4 4573 B11R0.187 CCNC(=O)N[C@H](C)C(=O)NC 512a_100000684985_100015525214 [0,2,0,0,0,0|2,0,0]=4 4574 B11R0.187 CCNC(=O)N[C@H](C)C(=O)NC 512a_100015525214_100000684985 [0,2,0,0,0,0|2,0,0]=4 4575 B11R0.187 CCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000188475 [0,2,0,0,0,0|0,0,1]=3 4576 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,2,0,0,0,0|0,0,0]=2 4577 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,2,0,0,0,0|0,0,0]=2 4578 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,2,0,0,0,0|2,0,0]=4 4579 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,2,0,0,0,0|2,0,0]=4 4580 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 4581 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 4582 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 4583 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 4584 B11R0.187 CCOC(=O)CN(C)C(=O)CO 240690a_100000220588_100000210174 [0,2,0,0,0,0|1,0,0]=3 4585 B11R0.187 CCOC(=O)CN(C)C(=O)CO 527a_100000220588_100000210174 [0,2,0,0,0,0|1,0,0]=3 4586 B11R0.280 CCOC(CCC(=O)C)OCC 1458a_100000070787_100000033671 [0,2,0,0,0,0|0,0,2]=4 4587 B11R0.43 CCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210303 [0,2,0,0,0,0|1,0,0]=3 4588 B11R0.43 CCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210303 [0,2,0,0,0,0|2,0,0]=4 4589 B11R0.43 CCCC(=O)N(C)CC(=O)NC 11a_100000189611_100000211992 [0,2,0,0,0,0|2,0,0]=4 4590 B11R0.43 CCCC(=O)N(C)CC(=O)NC 240690a_100000189611_100000211992 [0,2,0,0,0,0|2,0,0]=4 4591 B11R0.43 CCCC(=O)N(C)CC(=O)NC 527a_100000189611_100000211992 [0,2,0,0,0,0|2,0,0]=4 4592 B11R0.43 CCCC(=O)N(C)CC(=O)OC 11a_100000198492_100000211992 [0,2,0,0,0,0|2,0,0]=4 4593 B11R0.43 CCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000211992 [0,2,0,0,0,0|2,0,0]=4 4594 B11R0.43 CCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000211992 [0,2,0,0,0,0|2,0,0]=4 4595 B11R0.43 CCCC(=O)N(C)CC(=O)OC 527a_100000198492_100000211992 [0,2,0,0,0,0|2,0,0]=4 4596 B11R0.43 CCNC(=O)C(=O)CC(=O)CC 1458a_200011297158_100000747405 [0,2,0,0,0,0|1,0,1]=4 4597 B11R0.43 CCNC(=O)C(=O)CC(=O)NC 1458a_200011297158_100000183359 [0,2,0,0,0,0|1,0,1]=4 4598 B11R0.43 CCNC(=O)C(=O)CC(=O)OC 1458a_200011297158_100000747449 [0,2,0,0,0,0|1,0,1]=4 4599 B11R0.43 CCNC(=O)C(C)CC(=O)OC 240690a_100015525214_100000037256 [0,2,0,0,0,0|1,0,0]=3 4600 B11R0.43 CCNC(=O)C(C)CC(=O)OC 527a_100015525214_100000037256 [0,2,0,0,0,0|1,0,0]=3 4601 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4602 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100015525214_100000194823 [0,2,0,0,0,0|2,0,0]=4 4603 B11R0.43 CCNC(=O)C(C)NC(=O)CC 1626a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4604 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4605 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100015525214_100000194823 [0,2,0,0,0,0|2,0,0]=4 4606 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4607 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100015525214_100000194823 [0,2,0,0,0,0|2,0,0]=4 4608 B11R0.43 CCNC(=O)C(C)NC(=O)CO 240690a_100000736553_100000210174 [0,2,0,0,0,0|2,0,0]=4 4609 B11R0.43 CCNC(=O)C(C)NC(=O)CO 527a_100000736553_100000210174 [0,2,0,0,0,0|2,0,0]=4 4610 B11R0.43 CCNC(=O)C(C)NC(=O)NC 2708a_100102657272_100000736553 [0,2,0,0,0,0|2,0,0]=4 4611 B11R0.43 CCNC(=O)C(C)NC(=O)NC 273464a_100000736553_100102657272 [0,2,0,0,0,0|2,0,0]=4 4612 B11R0.43 CCNC(=O)C(C)NC(=O)NC 512a_100000736553_100102657272 [0,2,0,0,0,0|2,0,0]=4 4613 B11R0.43 CCNC(=O)C(C)NC(=O)NC 512a_106832991638_100000736553 [0,2,0,0,0,0|2,0,0]=4 4614 B11R0.43 CCNC(=O)N(C)CC(=O)NC 2708a_100015525214_100000189611 [0,2,0,0,0,0|2,0,0]=4 4615 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [0,2,0,0,0,0|1,0,0]=3 4616 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CO 188690a_100016988386_100000210174 [0,2,0,0,0,0|1,0,0]=3 4617 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 11a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4618 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 1626a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4619 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 240690a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4620 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 527a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4621 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CO 240690a_100103168634_100000210174 [0,2,0,0,0,0|1,1,0]=4 4622 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CO 527a_100103168634_100000210174 [0,2,0,0,0,0|1,1,0]=4 4623 B11R0.43 CCSC(=O)[C@H](C)NC(=O)NC 2708a_100102657272_100103168634 [0,2,0,0,0,0|1,1,0]=4 4624 B11R0.43 CCSC(=O)[C@H](C)NC(=O)NC 2708a_100103168634_106832991635 [0,2,0,0,0,0|1,1,0]=4 4625 B11R0.43 CCSC(=O)[C@H](C)NC(=O)NC 273464a_100102657272_100103168634 [0,2,0,0,0,0|1,1,0]=4 4626 B11R0.43 CCSC(=O)[C@H](C)NC(=O)NC 273464a_100103168634_100102657272 [0,2,0,0,0,0|1,1,0]=4 4627 B11R0.43 CCSC(=O)[C@H](C)NC(=O)NC 512a_100103168634_100102657272 [0,2,0,0,0,0|1,1,0]=4 4628 B11R0.43 CCSC(=O)[C@H](C)NC(=O)NC 512a_106832991638_100103168634 [0,2,0,0,0,0|1,1,0]=4 4629 B11R0.43 CNNC(=O)C(C)CC(=O)OC 22a_100016993582_100000037256 [0,2,0,0,0,0|2,0,0]=4 4630 B11R0.43 COC(=O)CC(C)C(=O)CCF 1458a_100000037256_100011217306 [0,2,0,0,0,0|2,0,0]=4 4631 B11R0.43 COC(=O)CC(C)C(=O)CCO 1458a_100000037256_100000211926 [0,2,0,0,0,0|2,0,0]=4 4632 B11R0.56 CCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210303 [0,2,0,0,0,0|2,0,0]=4 4633 B11R0.56 CCCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210303 [0,2,0,0,0,0|2,0,0]=4 4634 B11R0.56 CCNC(=O)C(CC)NC(=O)C 11a_100015525214_100000195128 [0,2,0,0,0,0|2,0,0]=4 4635 B11R0.56 CCNC(=O)C(CC)NC(=O)C 240690a_100015525214_100000195128 [0,2,0,0,0,0|2,0,0]=4 4636 B11R0.56 CCNC(=O)C(CC)NC(=O)C 527a_100015525214_100000195128 [0,2,0,0,0,0|2,0,0]=4 4637 B11R0.56 CCNC(=O)C(CO)NC(=O)C 240690a_100015525214_200011194110 [0,2,0,0,0,0|2,0,0]=4 4638 B11R0.56 CCOC(=O)C(CC(C)C)NC 2230a_106832991635_100010269446 [0,2,0,0,0,0|1,0,1]=4 4639 B11R0.56 CCOC(=O)C(CC(C)C)NC 34a_100102657272_100010269446 [0,2,0,0,0,0|1,0,1]=4 4640 B11R0.56 CCOC(=O)C(CC(C)C)NC 7a_106832991635_100010269446 [0,2,0,0,0,0|1,0,1]=4 4641 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100011626094_200000210301 [0,2,0,0,0,0|1,0,1]=4 4642 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100138415774_100010269446 [0,2,0,0,0,0|1,0,1]=4 4643 B11R0.56 CCOC(=O)C(CC(C)C)OC 7a_100011626094_200000210301 [0,2,0,0,0,0|1,0,1]=4 4644 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 34a_100011626094_200025704644 [0,2,0,0,0,0|1,0,1]=4 4645 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 7a_100011626094_200025704644 [0,2,0,0,0,0|1,0,1]=4 4646 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_100010269446_200000210301 [0,2,0,0,0,0|1,0,1]=4 4647 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_200000210301_100010269446 [0,2,0,0,0,0|1,0,1]=4 4648 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_100010269446_200025704644 [0,2,0,0,0,0|1,0,1]=4 4649 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_200025704644_100010269446 [0,2,0,0,0,0|1,0,1]=4 4650 B11R0.56 CCOC(=O)[C@@H](CO)NC(=O)C 188690a_100016988294_100015343762 [0,2,0,0,0,0|1,0,0]=3 4651 B11R0.56 CCOC(=O)[C@H](CC)NC(=O)C 188690a_100025709693_100015343762 [0,2,0,0,0,0|1,0,0]=3 4652 B11R0.63 CCC(C)C(=O)C(C)OC(=O)C 1458a_100011192722_100009818208 [0,2,0,0,0,0|2,0,0]=4 4653 B11R0.63 CCC(C)C(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000758301 [0,2,0,0,0,0|2,0,0]=4 4654 B11R0.63 CCC(C)C(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000758301 [0,2,0,0,0,0|2,0,0]=4 4655 B11R0.63 CCC(O)C(=O)C(C)OC(=O)C 1458a_100011196387_100009818208 [0,2,0,0,0,0|2,0,0]=4 4656 B11R0.63 CCN(C)C(=O)[C@@H](C)NC(=O)C 11a_100000225621_100011504603 [0,2,0,0,0,0|2,0,0]=4 4657 B11R0.63 CCN(C)C(=O)[C@@H](C)NC(=O)C 1626a_100000225621_100011504603 [0,2,0,0,0,0|2,0,0]=4 4658 B11R0.63 CCN(C)C(=O)[C@@H](C)NC(=O)C 240690a_100000225621_100011504603 [0,2,0,0,0,0|2,0,0]=4 4659 B11R0.63 CCN(C)C(=O)[C@@H](C)NC(=O)C 527a_100000225621_100011504603 [0,2,0,0,0,0|2,0,0]=4 4660 B11R0.63 CCN(C)C(=O)[C@H](C)OC(=O)C 11a_100000225621_100009816467 [0,2,0,0,0,0|2,0,0]=4 4661 B11R0.63 CCN(C)C(=O)[C@H](C)OC(=O)C 1626a_100000225621_100009816467 [0,2,0,0,0,0|2,0,0]=4 4662 B11R0.63 CCN(C)C(=O)[C@H](C)OC(=O)C 240690a_100000225621_100009816467 [0,2,0,0,0,0|2,0,0]=4 4663 B11R0.63 CCN(C)C(=O)[C@H](C)OC(=O)C 527a_100000225621_100009816467 [0,2,0,0,0,0|2,0,0]=4 4664 B11R0.68 C=C(C)CN(C)C(=O)COCC 11a_100000225649_100000211967 [0,2,0,0,0,0|2,0,0]=4 4665 B11R0.68 C=C(C)CN(C)C(=O)COCC 1626a_100000225649_100000211967 [0,2,0,0,0,0|2,0,0]=4 4666 B11R0.68 C=C(C)CN(C)C(=O)COCC 527a_100000225649_100000211967 [0,2,0,0,0,0|2,0,0]=4 4667 B11R0.68 CC(=O)N[C@H](C)C(=O)CCCF 1458a_100011504603_100011934791 [0,2,0,0,0,0|2,0,0]=4 4668 B11R0.68 CC(=O)N[C@H](C)C(=O)CCCO 1458a_100011504603_100011215043 [0,2,0,0,0,0|2,0,0]=4 4669 B11R0.68 CC(=O)N[C@H](C)C(=O)NCCF 11a_100000724931_100011504603 [0,2,0,0,0,0|2,0,0]=4 4670 B11R0.68 CC(=O)N[C@H](C)C(=O)NCCF 1626a_100000724931_100011504603 [0,2,0,0,0,0|2,0,0]=4 4671 B11R0.68 CC(=O)N[C@H](C)C(=O)NCCF 240690a_100000724931_100011504603 [0,2,0,0,0,0|2,0,0]=4 4672 B11R0.68 CC(=O)N[C@H](C)C(=O)NCCF 527a_100000724931_100011504603 [0,2,0,0,0,0|2,0,0]=4 4673 B11R0.68 CC(=O)N[C@H](C)C(=O)NCCO 240690a_100000210304_100011504603 [0,2,0,0,0,0|2,0,0]=4 4674 B11R0.68 CC(=O)N[C@H](C)C(=O)NCCO 527a_100000210304_100011504603 [0,2,0,0,0,0|2,0,0]=4 4675 B11R0.68 CC(=O)O[C@@H](C)C(=O)CCCF 1458a_100009816467_100011934791 [0,2,0,0,0,0|2,0,0]=4 4676 B11R0.68 CC(=O)O[C@@H](C)C(=O)CCCO 1458a_100009816467_100011215043 [0,2,0,0,0,0|2,0,0]=4 4677 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 11a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 4678 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 1626a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 4679 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 240690a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 4680 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 527a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 4681 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCO 240690a_100000210304_100009816467 [0,2,0,0,0,0|2,0,0]=4 4682 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCO 527a_100000210304_100009816467 [0,2,0,0,0,0|2,0,0]=4 4683 B11R0.68 CCC#CC(=O)C(C)OC(=O)C 1458a_100011827653_100009818208 [0,2,0,0,0,0|2,0,0]=4 4684 B11R0.68 CCC=CC(=O)C(C)OC(=O)C 1458a_100000212282_100009818208 [0,2,0,0,0,0|2,0,0]=4 4685 B11R0.68 CCCCC(=O)C(C)OC(=O)C 1458a_100000210183_100009818208 [0,2,0,0,0,0|2,0,0]=4 4686 B11R0.68 CCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210211 [0,2,0,0,0,0|2,0,0]=4 4687 B11R0.68 CCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210211 [0,2,0,0,0,0|2,0,0]=4 4688 B11R0.68 CCCNC(=O)C(C)NC(=O)C 11a_100025744714_100015343762 [0,2,0,0,0,0|2,0,0]=4 4689 B11R0.68 CCCNC(=O)C(C)NC(=O)C 1626a_100025744714_100015343762 [0,2,0,0,0,0|2,0,0]=4 4690 B11R0.68 CCCNC(=O)C(C)NC(=O)C 240690a_100025744714_100015343762 [0,2,0,0,0,0|2,0,0]=4 4691 B11R0.68 CCCNC(=O)C(C)NC(=O)C 527a_100025744714_100103153847 [0,2,0,0,0,0|2,0,0]=4 4692 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 11a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 4693 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 1626a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 4694 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 240690a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 4695 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 527a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 4696 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 11a_100020643023_100009816467 [0,2,0,0,0,0|2,0,0]=4 4697 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 1626a_100020643023_100009816467 [0,2,0,0,0,0|2,0,0]=4 4698 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 240690a_100020643023_100009816467 [0,2,0,0,0,0|2,0,0]=4 4699 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 527a_100020643023_100009816467 [0,2,0,0,0,0|2,0,0]=4 4700 B11R0.68 CCNNC(=O)[C@@H](C)NC(=O)C 22a_100000756455_100011504603 [0,2,0,0,0,0|2,0,0]=4 4701 B11R0.68 CCOCC(=O)C(C)CC(C)C 1458a_100000211967_100000731052 [0,2,0,0,0,0|1,0,1]=4 4702 B11R0.68 CCOCC(=O)C(C)OC(=O)C 1458a_100000211967_100009818208 [0,2,0,0,0,0|1,0,0]=3 4703 B11R0.68 CCOCC(=O)N(C)CC(=O)N 11a_100000739694_100000211967 [0,2,0,0,0,0|2,0,0]=4 4704 B11R0.68 CCOCC(=O)N(C)CC(=O)N 527a_100000739694_100000211967 [0,2,0,0,0,0|2,0,0]=4 4705 B11R0.68 CCSCC(=O)C(C)OC(=O)C 1458a_100000230394_100009818208 [0,2,0,0,0,0|1,1,0]=4 4706 B11R0.68 COCCC(=O)C(C)OC(=O)C 1458a_100000749529_100009818208 [0,2,0,0,0,0|2,0,0]=4 4707 B11R0.68 COCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000233755 [0,2,0,0,0,0|2,0,0]=4 4708 B11R0.68 COCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000233755 [0,2,0,0,0,0|2,0,0]=4 4709 B11R0.68 CSCCC(=O)C(C)OC(=O)C 1458a_100000174002_100009818208 [0,2,0,0,0,0|2,0,0]=4 4710 B11R0.68 CSCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000751147 [0,2,0,0,0,0|2,0,0]=4 4711 B11R0.68 CSCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000751147 [0,2,0,0,0,0|2,0,0]=4 4712 B11R0.149 CC(=O)NC(C)C(=O)NC(C)C 11a_100015205314_100015343762 [0,2,0,0,0,0|2,0,0]=4 4713 B11R0.149 CC(=O)NC(C)C(=O)NC(C)C 1626a_100015205314_100015343762 [0,2,0,0,0,0|2,0,0]=4 4714 B11R0.149 CC(=O)NC(C)C(=O)NC(C)C 240690a_100015205314_100015343762 [0,2,0,0,0,0|2,0,0]=4 4715 B11R0.149 CC(=O)NC(C)C(=O)NC(C)C 527a_100015205314_100103153847 [0,2,0,0,0,0|2,0,0]=4 4716 B11R0.149 CC(=O)N[C@H](C)C(=O)CC(C)C 1458a_100011504603_100000210624 [0,2,0,0,0,0|2,0,0]=4 4717 B11R0.149 CC(=O)N[C@H](C)C(=O)CC(C)O 1458a_100011504603_100011218427 [0,2,0,0,0,0|2,0,0]=4 4718 B11R0.149 CC(=O)N[C@H](C)C(=O)NC(C)C 11a_100138425928_100011504603 [0,2,0,0,0,0|2,0,0]=4 4719 B11R0.149 CC(=O)N[C@H](C)C(=O)NC(C)C 1626a_100138425928_100011504603 [0,2,0,0,0,0|2,0,0]=4 4720 B11R0.149 CC(=O)N[C@H](C)C(=O)NC(C)C 240690a_100138425928_100011504603 [0,2,0,0,0,0|2,0,0]=4 4721 B11R0.149 CC(=O)N[C@H](C)C(=O)NC(C)C 527a_100138425928_100011504603 [0,2,0,0,0,0|2,0,0]=4 4722 B11R0.149 CC(=O)OC(C)C(=O)CC(C)C 1458a_100000210554_100009818208 [0,2,0,0,0,0|2,0,0]=4 4723 B11R0.149 CC(=O)OC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100009818208 [0,2,0,0,0,0|2,0,0]=4 4724 B11R0.149 CC(=O)O[C@@H](C)C(=O)CC(C)C 1458a_100009816467_100000210624 [0,2,0,0,0,0|2,0,0]=4 4725 B11R0.149 CC(=O)O[C@@H](C)C(=O)CC(C)O 1458a_100009816467_100011218427 [0,2,0,0,0,0|2,0,0]=4 4726 B11R0.149 CC(=O)O[C@@H](C)C(=O)NC(C)C 11a_100138425928_100009816467 [0,2,0,0,0,0|2,0,0]=4 4727 B11R0.149 CC(=O)O[C@@H](C)C(=O)NC(C)C 1626a_100138425928_100009816467 [0,2,0,0,0,0|2,0,0]=4 4728 B11R0.149 CC(=O)O[C@@H](C)C(=O)NC(C)C 240690a_100138425928_100009816467 [0,2,0,0,0,0|2,0,0]=4 4729 B11R0.149 CC(=O)O[C@@H](C)C(=O)NC(C)C 527a_100138425928_100009816467 [0,2,0,0,0,0|2,0,0]=4 4730 B11R0.240 CCCC(=O)C(C)(C)NC(=O)C 1458a_100000750020_100000210303 [0,2,0,0,0,0|2,0,0]=4 4731 B11R0.240 CCCC(=O)C(C)(C)OC(=O)C 1458a_200000137501_100000210303 [0,2,0,0,0,0|2,0,0]=4 4732 B11R0.240 CCNC(=O)C(C)(C)NC(=O)C 11a_100015525214_100000750020 [0,2,0,0,0,0|2,0,0]=4 4733 B11R0.240 CCNC(=O)C(C)(C)NC(=O)C 240690a_100015525214_100000750020 [0,2,0,0,0,0|2,0,0]=4 4734 B11R0.240 CCNC(=O)C(C)(C)NC(=O)C 527a_100015525214_100000750020 [0,2,0,0,0,0|2,0,0]=4 4735 B11R0.240 CCNC(=O)C(C)(C)OC(=O)C 240690a_100015525214_200000137501 [0,2,0,0,0,0|2,0,0]=4 4736 B11R0.240 CCNC(=O)C(C)(C)OC(=O)C 527a_100015525214_200000137501 [0,2,0,0,0,0|2,0,0]=4 4737 B11R0.240 CCOC(=O)C(C)(C)CN(C)C 2230a_100102631434_100011219049 [0,2,0,0,0,0|2,0,0]=4 4738 B11R0.240 CCOC(=O)C(C)(C)NC(=O)C 188690a_100000750574_100015343762 [0,2,0,0,0,0|1,0,0]=3 4739 B11R0.120 CCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210202 [0,2,0,0,0,0|2,0,0]=4 4740 B11R0.120 CCC(=O)NCC(=O)C(C)CC 1458a_100000194589_100000758301 [0,2,0,0,0,0|2,0,0]=4 4741 B11R0.120 CCC(=O)NCC(=O)N(C)CC 11a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4742 B11R0.120 CCC(=O)NCC(=O)N(C)CC 1626a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4743 B11R0.120 CCC(=O)NCC(=O)N(C)CC 240690a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4744 B11R0.120 CCC(=O)NCC(=O)N(C)CC 527a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4745 B11R0.120 CCC(C)C(=O)CCC(=O)NC 1458a_100011309844_100000758301 [0,2,0,0,0,0|1,0,0]=3 4746 B11R0.120 CCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000758301 [0,2,0,0,0,0|1,0,0]=3 4747 B11R0.120 CCC(C)C(=O)CCS(=O)CC 1458a_100011387550_100000758301 [0,2,0,0,0,0|2,0,0]=4 4748 B11R0.120 CCC(C)C(=O)CNC(=O)OC 1458a_100000215747_100000758301 [0,2,0,0,0,0|2,0,0]=4 4749 B11R0.120 CCC(C)C(=O)NCC(=O)CF 1458a_100000743532_100015361967 [0,2,0,0,0,0|2,0,0]=4 4750 B11R0.120 CCC(C)C(=O)NCC(=O)NC 11a_100000693194_100011192722 [0,2,0,0,0,0|2,0,0]=4 4751 B11R0.120 CCC(C)C(=O)NCC(=O)NC 11a_106832991635_100000743532 [0,2,0,0,0,0|2,0,0]=4 4752 B11R0.120 CCC(C)C(=O)NCC(=O)NC 1626a_100102657272_100000743532 [0,2,0,0,0,0|2,0,0]=4 4753 B11R0.120 CCC(C)C(=O)NCC(=O)NC 240690a_100000693194_100011192722 [0,2,0,0,0,0|2,0,0]=4 4754 B11R0.120 CCC(C)C(=O)NCC(=O)NC 240690a_100102657272_100000743532 [0,2,0,0,0,0|2,0,0]=4 4755 B11R0.120 CCC(C)C(=O)NCC(=O)NC 527a_100000693194_100011192722 [0,2,0,0,0,0|2,0,0]=4 4756 B11R0.120 CCC(C)C(=O)NCC(=O)NC 527a_100102657272_100000743532 [0,2,0,0,0,0|2,0,0]=4 4757 B11R0.120 CCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100011192722 [0,2,0,0,0,0|2,0,0]=4 4758 B11R0.120 CCC(O)C(=O)NCC(=O)NC 240690a_100000693194_100011196387 [0,2,0,0,0,0|2,0,0]=4 4759 B11R0.120 CCC(O)C(=O)NCC(=O)OC 188690a_100000185156_100011196387 [0,2,0,0,0,0|2,0,0]=4 4760 B11R0.120 CCN(C)C(=O)CCC(=O)NC 11a_100000225621_100011309844 [0,2,0,0,0,0|1,0,0]=3 4761 B11R0.120 CCN(C)C(=O)CCC(=O)NC 1626a_100000225621_100011309844 [0,2,0,0,0,0|1,0,0]=3 4762 B11R0.120 CCN(C)C(=O)CCC(=O)NC 240690a_100000225621_100011309844 [0,2,0,0,0,0|1,0,0]=3 4763 B11R0.120 CCN(C)C(=O)CCC(=O)NC 527a_100000225621_100011309844 [0,2,0,0,0,0|1,0,0]=3 4764 B11R0.120 CCN(C)C(=O)CCC(=O)OC 11a_100000225621_100000187943 [0,2,0,0,0,0|1,0,0]=3 4765 B11R0.120 CCN(C)C(=O)CCC(=O)OC 1626a_100000225621_100000187943 [0,2,0,0,0,0|1,0,0]=3 4766 B11R0.120 CCN(C)C(=O)CCC(=O)OC 240690a_100000225621_100000187943 [0,2,0,0,0,0|1,0,0]=3 4767 B11R0.120 CCN(C)C(=O)CCC(=O)OC 527a_100000225621_100000187943 [0,2,0,0,0,0|1,0,0]=3 4768 B11R0.120 CCN(C)C(=O)CCS(=O)CC 11a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 4769 B11R0.120 CCN(C)C(=O)CCS(=O)CC 1626a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 4770 B11R0.120 CCN(C)C(=O)CCS(=O)CC 240690a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 4771 B11R0.120 CCN(C)C(=O)CCS(=O)CC 527a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 4772 B11R0.120 CCN(C)C(=O)CNC(=O)OC 11a_100000225621_100000215747 [0,2,0,0,0,0|2,0,0]=4 4773 B11R0.120 CCN(C)C(=O)CNC(=O)OC 1626a_100000225621_100000215747 [0,2,0,0,0,0|2,0,0]=4 4774 B11R0.120 CCN(C)C(=O)CNC(=O)OC 240690a_100000225621_100000215747 [0,2,0,0,0,0|2,0,0]=4 4775 B11R0.120 CCN(C)C(=O)CNC(=O)OC 527a_100000225621_100000215747 [0,2,0,0,0,0|2,0,0]=4 4776 B11R0.120 CCN(C)C(=O)NCC(=O)NC 273464a_100000693194_100000225621 [0,2,0,0,0,0|2,0,0]=4 4777 B11R0.129 C=C(C)CCC(=O)C(C)(C)CC 1458a_100000749717_100000730704 [0,2,0,0,0,0|2,0,0]=4 4778 B11R0.129 C=C(C)CCC(=O)C(C)(O)CC 1458a_100011219770_100000730704 [0,2,0,0,0,0|2,0,0]=4 4779 B11R0.129 C=C(C)CCC(=O)C(F)(F)CC 1458a_100000061896_100000730704 [0,2,0,0,0,0|2,0,0]=4 4780 B11R0.171 C=C(C)CCC(=O)C(CC)CC 1458a_100000211163_100000730704 [0,2,0,0,0,0|2,0,0]=4 4781 B11R0.171 C=C(C)CCC(=O)C(CC)CC 1458a_200000688413_100000210505 [0,2,0,0,0,0|2,0,0]=4 4782 B11R0.171 C=C(C)CCC(=O)C(CC)OC 1458a_100000747056_100000730704 [0,2,0,0,0,0|2,0,0]=4 4783 B11R0.171 C=C(C)CCC(=O)N(CC)CC 11a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 4784 B11R0.171 C=C(C)CCC(=O)N(CC)CC 1626a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 4785 B11R0.171 C=C(C)CCC(=O)N(CC)CC 240690a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 4786 B11R0.171 C=C(C)CCC(=O)N(CC)CC 527a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 4787 B11R0.171 CCC(CC)C(=O)CCC(=O)N 1458a_100011215257_100000210505 [0,2,0,0,0,0|2,0,0]=4 4788 B11R0.171 CCC(CC)C(=O)CNC(=O)C 1458a_100000194580_100000210505 [0,2,0,0,0,0|2,0,0]=4 4789 B11R0.171 CCC(CC)C(=O)COC(=O)C 1458a_100000183556_100000210505 [0,2,0,0,0,0|2,0,0]=4 4790 B11R0.171 CCC(CC)C(=O)CSC(=O)C 1458a_100000049016_100000210505 [0,2,0,0,0,0|2,0,0]=4 4791 B11R0.171 CCC(CC)C(=O)OCC(=O)C 1458a_100000070787_100000140015 [0,2,0,0,0,0|2,0,0]=4 4792 B11R0.171 CCN(CC)C(=O)CCC(=O)C 1458a_100000070787_100011194432 [0,2,0,0,0,0|1,0,0]=3 4793 B11R0.171 CCN(CC)C(=O)CCC(=O)N 240690a_100000724800_100011215257 [0,2,0,0,0,0|2,0,0]=4 4794 B11R0.171 CCN(CC)C(=O)CCC(=O)N 527a_100000724800_100011215257 [0,2,0,0,0,0|2,0,0]=4 4795 B11R0.171 CCN(CC)C(=O)CNC(=O)C 11a_100000174916_100015343762 [0,2,0,0,0,0|2,0,0]=4 4796 B11R0.171 CCN(CC)C(=O)CNC(=O)C 11a_100000724800_100000194580 [0,2,0,0,0,0|2,0,0]=4 4797 B11R0.171 CCN(CC)C(=O)CNC(=O)C 1626a_100000174916_100015343762 [0,2,0,0,0,0|2,0,0]=4 4798 B11R0.171 CCN(CC)C(=O)CNC(=O)C 1626a_100000724800_100000194580 [0,2,0,0,0,0|2,0,0]=4 4799 B11R0.171 CCN(CC)C(=O)CNC(=O)C 240690a_100000174916_100015343762 [0,2,0,0,0,0|2,0,0]=4 4800 B11R0.171 CCN(CC)C(=O)CNC(=O)C 240690a_100000724800_100000194580 [0,2,0,0,0,0|2,0,0]=4 4801 B11R0.171 CCN(CC)C(=O)CNC(=O)C 527a_100000174916_100103153847 [0,2,0,0,0,0|2,0,0]=4 4802 B11R0.171 CCN(CC)C(=O)CNC(=O)C 527a_100000724800_100000194580 [0,2,0,0,0,0|2,0,0]=4 4803 B11R0.171 CCN(CC)C(=O)COC(=O)C 1626a_100000724800_100000183556 [0,2,0,0,0,0|2,0,0]=4 4804 B11R0.171 CCN(CC)C(=O)COC(=O)C 240690a_100000724800_100000183556 [0,2,0,0,0,0|2,0,0]=4 4805 B11R0.171 CCN(CC)C(=O)COC(=O)C 527a_100000724800_100000183556 [0,2,0,0,0,0|2,0,0]=4 4806 B11R0.171 CCN(CC)C(=O)CSC(=O)C 11a_100000724800_100000049016 [0,2,0,0,0,0|2,0,0]=4 4807 B11R0.171 CCN(CC)C(=O)CSC(=O)C 1626a_100000724800_100000049016 [0,2,0,0,0,0|2,0,0]=4 4808 B11R0.171 CCN(CC)C(=O)CSC(=O)C 240690a_100000724800_100000049016 [0,2,0,0,0,0|2,0,0]=4 4809 B11R0.171 CCN(CC)C(=O)OCC(=O)C 1458a_100000070787_100000140013 [0,2,0,0,0,0|2,0,0]=4 4810 B11R0.173 C=C(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000730704 [0,2,0,0,0,0|2,0,0]=4 4811 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 11a_200000211004_200000688413 [0,2,0,0,0,0|2,0,0]=4 4812 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 1626a_200000211004_200000688413 [0,2,0,0,0,0|2,0,0]=4 4813 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 240690a_200000211004_200000688413 [0,2,0,0,0,0|2,0,0]=4 4814 B11R0.173 C=C(C)CCC(=O)N(C)C(C)C 527a_200000211004_200000688413 [0,2,0,0,0,0|2,0,0]=4 4815 B11R0.173 C=C(C)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000730704 [0,2,0,0,0,0|2,0,0]=4 4816 B11R0.173 CC(=O)NCC(=O)N(C)C(C)C 11a_200000211004_100000194580 [0,2,0,0,0,0|2,0,0]=4 4817 B11R0.173 CC(=O)NCC(=O)N(C)C(C)C 1626a_200000211004_100000194580 [0,2,0,0,0,0|2,0,0]=4 4818 B11R0.173 CC(=O)NCC(=O)N(C)C(C)C 240690a_200000211004_100000194580 [0,2,0,0,0,0|2,0,0]=4 4819 B11R0.173 CC(=O)NCC(=O)N(C)C(C)C 527a_200000211004_100000194580 [0,2,0,0,0,0|2,0,0]=4 4820 B11R0.173 CC(=O)OCC(=O)N(C)C(C)C 1626a_200000211004_100000183556 [0,2,0,0,0,0|2,0,0]=4 4821 B11R0.173 CC(=O)OCC(=O)N(C)C(C)C 240690a_200000211004_100000183556 [0,2,0,0,0,0|2,0,0]=4 4822 B11R0.173 CC(=O)OCC(=O)N(C)C(C)C 527a_200000211004_100000183556 [0,2,0,0,0,0|2,0,0]=4 4823 B11R0.173 CC(=O)SCC(=O)N(C)C(C)C 11a_200000211004_100000049016 [0,2,0,0,0,0|2,0,0]=4 4824 B11R0.173 CC(=O)SCC(=O)N(C)C(C)C 1626a_200000211004_100000049016 [0,2,0,0,0,0|2,0,0]=4 4825 B11R0.173 CC(=O)SCC(=O)N(C)C(C)C 240690a_200000211004_100000049016 [0,2,0,0,0,0|2,0,0]=4 4826 B11R0.173 CC(C)N(C)C(=O)CCC(=O)N 240690a_200000211004_100011215257 [0,2,0,0,0,0|2,0,0]=4 4827 B11R0.173 CC(C)N(C)C(=O)CCC(=O)N 527a_200000211004_100011215257 [0,2,0,0,0,0|2,0,0]=4 4828 B11R0.290 CCC(C)C(=O)CCS(=O)(=O)C 1458a_100000737124_100000758301 [0,2,0,0,0,0|2,0,0]=4 4829 B11R0.290 CCC(C)C(=O)CCS(=O)(=O)C 1458a_100011192722_100000731031 [0,2,0,0,0,0|2,0,0]=4 4830 B11R0.290 CCC(O)C(=O)CCS(=O)(=O)C 1458a_100011196387_100000731031 [0,2,0,0,0,0|2,0,0]=4 4831 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 11a_100000225621_100000737124 [0,2,0,0,0,0|2,0,0]=4 4832 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 1626a_100000225621_100000737124 [0,2,0,0,0,0|2,0,0]=4 4833 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 240690a_100000225621_100000737124 [0,2,0,0,0,0|2,0,0]=4 4834 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 527a_100000225621_100000737124 [0,2,0,0,0,0|2,0,0]=4 4835 B11R0.46 C#CCCCC(=O)CCC(=C)C 1458a_100000690238_100000730704 [0,2,0,0,0,0|2,0,0]=4 4836 B11R0.46 C#CCCCC(=O)CCC(=C)C 1458a_200000688413_100000731252 [0,2,0,0,0,0|2,0,0]=4 4837 B11R0.46 C#CCCCC(=O)CCC(=O)N 1458a_100011215257_100000731252 [0,2,0,0,0,0|2,0,0]=4 4838 B11R0.46 C#CCCCC(=O)CNC(=O)C 1458a_100000194580_100000731252 [0,2,0,0,0,0|2,0,0]=4 4839 B11R0.46 C#CCCCC(=O)COC(=O)C 1458a_100000183556_100000731252 [0,2,0,0,0,0|2,0,0]=4 4840 B11R0.46 C#CCCCC(=O)CSC(=O)C 1458a_100000049016_100000731252 [0,2,0,0,0,0|2,0,0]=4 4841 B11R0.46 C#CCCNC(=O)CCC(=C)C 11a_100000755551_200000688413 [0,2,0,0,0,0|2,0,0]=4 4842 B11R0.46 C#CCCNC(=O)CCC(=C)C 1626a_100000755551_200000688413 [0,2,0,0,0,0|2,0,0]=4 4843 B11R0.46 C#CCCNC(=O)CCC(=C)C 240690a_100000755551_200000688413 [0,2,0,0,0,0|2,0,0]=4 4844 B11R0.46 C#CCCNC(=O)CCC(=C)C 527a_100000755551_200000688413 [0,2,0,0,0,0|2,0,0]=4 4845 B11R0.46 C#CCCNC(=O)CCC(=O)N 240690a_100000755551_100011215257 [0,2,0,0,0,0|2,0,0]=4 4846 B11R0.46 C#CCCNC(=O)CCC(=O)N 527a_100000755551_100011215257 [0,2,0,0,0,0|2,0,0]=4 4847 B11R0.46 C#CCCNC(=O)CNC(=O)C 11a_100000755551_100000194580 [0,2,0,0,0,0|2,0,0]=4 4848 B11R0.46 C#CCCNC(=O)CNC(=O)C 1626a_100000755551_100000194580 [0,2,0,0,0,0|2,0,0]=4 4849 B11R0.46 C#CCCNC(=O)CNC(=O)C 240690a_100000755551_100000194580 [0,2,0,0,0,0|2,0,0]=4 4850 B11R0.46 C#CCCNC(=O)CNC(=O)C 527a_100000755551_100000194580 [0,2,0,0,0,0|2,0,0]=4 4851 B11R0.46 C#CCCNC(=O)COC(=O)C 1626a_100000755551_100000183556 [0,2,0,0,0,0|2,0,0]=4 4852 B11R0.46 C#CCCNC(=O)COC(=O)C 240690a_100000755551_100000183556 [0,2,0,0,0,0|2,0,0]=4 4853 B11R0.46 C#CCCNC(=O)COC(=O)C 527a_100000755551_100000183556 [0,2,0,0,0,0|2,0,0]=4 4854 B11R0.46 C#CCCNC(=O)CSC(=O)C 11a_100000755551_100000049016 [0,2,0,0,0,0|2,0,0]=4 4855 B11R0.46 C#CCCNC(=O)CSC(=O)C 1626a_100000755551_100000049016 [0,2,0,0,0,0|2,0,0]=4 4856 B11R0.46 C#CCCNC(=O)CSC(=O)C 240690a_100000755551_100000049016 [0,2,0,0,0,0|2,0,0]=4 4857 B11R0.46 C#CCOCC(=O)CCC(=C)C 1458a_100011251226_100000730704 [0,2,0,0,0,0|1,0,1]=4 4858 B11R0.46 C#CCOCC(=O)COC(=O)C 34a_100000210247_100000036994 [0,2,0,0,0,0|1,0,1]=4 4859 B11R0.46 C=C(C)CCC(=O)C#CCCC 1458a_200011218047_100000730704 [0,2,0,0,0,0|2,0,0]=4 4860 B11R0.46 C=C(C)CCC(=O)C/C=C/CC 1458a_100016274230_100000730704 [0,2,0,0,0,0|2,0,0]=4 4861 B11R0.46 C=C(C)CCC(=O)C/C=C\CC 1458a_200000688413_100103147603 [0,2,0,0,0,0|2,0,0]=4 4862 B11R0.46 C=C(C)CCC(=O)C=CCCC 1458a_100000212230_100000730704 [0,2,0,0,0,0|2,0,0]=4 4863 B11R0.46 C=C(C)CCC(=O)C=CCOC 1458a_100016285016_100000730704 [0,2,0,0,0,0|2,0,0]=4 4864 B11R0.46 C=C(C)CCC(=O)C=COCC 1458a_100016266692_100000730704 [0,2,0,0,0,0|1,0,0]=3 4865 B11R0.46 C=C(C)CCC(=O)CC#CCC 1458a_200000688413_100009813939 [0,2,0,0,0,0|2,0,0]=4 4866 B11R0.46 C=C(C)CCC(=O)CCCC#N 1458a_100000075515_100000730704 [0,2,0,0,0,0|2,0,0]=4 4867 B11R0.46 C=C(C)CCC(=O)CCCC#N 1458a_200000688413_100000211468 [0,2,0,0,0,0|2,0,0]=4 4868 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,2,0,0,0,0|2,0,0]=4 4869 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,2,0,0,0,0|2,0,0]=4 4870 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [0,2,0,0,0,0|2,0,0]=4 4871 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [0,2,0,0,0,0|2,0,0]=4 4872 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [0,2,0,0,0,0|2,0,0]=4 4873 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [0,2,0,0,0,0|2,0,0]=4 4874 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [0,2,0,0,0,0|2,0,0]=4 4875 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [0,2,0,0,0,0|2,0,0]=4 4876 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [0,2,0,0,0,0|1,0,0]=3 4877 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [0,2,0,0,0,0|1,0,0]=3 4878 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [0,2,0,0,0,0|1,1,0]=4 4879 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [0,2,0,0,0,0|1,1,0]=4 4880 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [0,2,0,0,0,0|1,0,0]=3 4881 B11R0.46 C=C(C)CCC(=O)COCCO 1458a_100000708028_100000730704 [0,2,0,0,0,0|1,0,0]=3 4882 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [0,2,0,0,0,0|1,1,0]=4 4883 B11R0.46 C=C(C)CCC(=O)NCC#CC 11a_100000685387_200000688413 [0,2,0,0,0,0|2,0,0]=4 4884 B11R0.46 C=C(C)CCC(=O)NCC#CC 1626a_100000685387_200000688413 [0,2,0,0,0,0|2,0,0]=4 4885 B11R0.46 C=C(C)CCC(=O)NCC#CC 527a_100000685387_200000688413 [0,2,0,0,0,0|2,0,0]=4 4886 B11R0.46 C=C(C)CCC(=O)NCCC#N 11a_100000720768_200000688413 [0,2,0,0,0,0|2,0,0]=4 4887 B11R0.46 C=C(C)CCC(=O)NCCC#N 1626a_100000720768_200000688413 [0,2,0,0,0,0|2,0,0]=4 4888 B11R0.46 C=C(C)CCC(=O)NCCC#N 240690a_100000720768_200000688413 [0,2,0,0,0,0|2,0,0]=4 4889 B11R0.46 C=C(C)CCC(=O)NCCC#N 527a_100000720768_200000688413 [0,2,0,0,0,0|2,0,0]=4 4890 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 4891 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 4892 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 4893 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 4894 B11R0.46 C=C(C)CCC(=O)NCCCF 11a_100015189416_200000688413 [0,2,0,0,0,0|2,0,0]=4 4895 B11R0.46 C=C(C)CCC(=O)NCCCF 1626a_100015189416_200000688413 [0,2,0,0,0,0|2,0,0]=4 4896 B11R0.46 C=C(C)CCC(=O)NCCCF 240690a_100015189416_200000688413 [0,2,0,0,0,0|2,0,0]=4 4897 B11R0.46 C=C(C)CCC(=O)NCCCF 527a_100015189416_200000688413 [0,2,0,0,0,0|2,0,0]=4 4898 B11R0.46 C=C(C)CCC(=O)NCCCO 240690a_100000182051_200000688413 [0,2,0,0,0,0|2,0,0]=4 4899 B11R0.46 C=C(C)CCC(=O)NCCCO 527a_100000182051_200000688413 [0,2,0,0,0,0|2,0,0]=4 4900 B11R0.46 C=C(C)CCC(=O)NCCOC 1626a_100000209980_200000688413 [0,2,0,0,0,0|2,0,0]=4 4901 B11R0.46 C=C(C)CCC(=O)NCCOC 240690a_100000209980_200000688413 [0,2,0,0,0,0|2,0,0]=4 4902 B11R0.46 C=C(C)CCC(=O)NCCOC 527a_100000209980_200000688413 [0,2,0,0,0,0|2,0,0]=4 4903 B11R0.46 C=C(C)CCC(=O)NCCSC 11a_100020590264_200000688413 [0,2,0,0,0,0|2,0,0]=4 4904 B11R0.46 C=C(C)CCC(=O)NCCSC 1626a_100020590264_200000688413 [0,2,0,0,0,0|2,0,0]=4 4905 B11R0.46 C=C(C)CCC(=O)NCCSC 240690a_100020590264_200000688413 [0,2,0,0,0,0|2,0,0]=4 4906 B11R0.46 C=C(C)CCC(=O)NCCSC 527a_100020590264_200000688413 [0,2,0,0,0,0|2,0,0]=4 4907 B11R0.46 C=C(C)CCC(=O)NNCCC 22a_100000740057_200000688413 [0,2,0,0,0,0|2,0,0]=4 4908 B11R0.46 C=C(C)CCC(=O)NNCCO 22a_100000210001_200000688413 [0,2,0,0,0,0|2,0,0]=4 4909 B11R0.46 C=C(C)CNC(=O)C=COCC 11a_100000765925_100016266692 [0,2,0,0,0,0|2,0,0]=4 4910 B11R0.46 C=C(C)CNC(=O)C=COCC 1626a_100000765925_100016266692 [0,2,0,0,0,0|2,0,0]=4 4911 B11R0.46 C=C(C)CNC(=O)C=COCC 240690a_100000765925_100016266692 [0,2,0,0,0,0|2,0,0]=4 4912 B11R0.46 C=C(C)CNC(=O)CCOCC 11a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 4913 B11R0.46 C=C(C)CNC(=O)CCOCC 1626a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 4914 B11R0.46 C=C(C)CNC(=O)CCOCC 240690a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 4915 B11R0.46 C=C(C)CNC(=O)CCOCC 527a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 4916 B11R0.46 C=C(C)CNC(=O)COCCC 11a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 4917 B11R0.46 C=C(C)CNC(=O)COCCC 1626a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 4918 B11R0.46 C=C(C)CNC(=O)COCCC 240690a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 4919 B11R0.46 C=C(C)CNC(=O)COCCC 527a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 4920 B11R0.46 C=C(C)CNC(=O)COCCO 1626a_100000765925_100000708028 [0,2,0,0,0,0|2,0,0]=4 4921 B11R0.46 C=C(C)CNC(=O)COCCO 240690a_100000765925_100000708028 [0,2,0,0,0,0|2,0,0]=4 4922 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_100000766728_100000730704 [0,2,0,0,0,0|2,0,0]=4 4923 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_200000688413_100000757094 [0,2,0,0,0,0|2,0,0]=4 4924 B11R0.46 C=CCCCC(=O)CCC(=O)N 1458a_100011215257_100000757094 [0,2,0,0,0,0|2,0,0]=4 4925 B11R0.46 C=CCCCC(=O)CNC(=O)C 1458a_100000194580_100000757094 [0,2,0,0,0,0|2,0,0]=4 4926 B11R0.46 C=CCCCC(=O)COC(=O)C 1458a_100000183556_100000757094 [0,2,0,0,0,0|2,0,0]=4 4927 B11R0.46 C=CCCCC(=O)CSC(=O)C 1458a_100000049016_100000757094 [0,2,0,0,0,0|2,0,0]=4 4928 B11R0.46 C=CCCNC(=O)CCC(=C)C 11a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 4929 B11R0.46 C=CCCNC(=O)CCC(=C)C 1626a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 4930 B11R0.46 C=CCCNC(=O)CCC(=C)C 240690a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 4931 B11R0.46 C=CCCNC(=O)CCC(=C)C 527a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 4932 B11R0.46 C=CCCNC(=O)CCC(=O)N 240690a_100015191253_100011215257 [0,2,0,0,0,0|2,0,0]=4 4933 B11R0.46 C=CCCNC(=O)CCC(=O)N 527a_100015191253_100011215257 [0,2,0,0,0,0|2,0,0]=4 4934 B11R0.46 C=CCCNC(=O)CNC(=O)C 11a_100015191253_100000194580 [0,2,0,0,0,0|2,0,0]=4 4935 B11R0.46 C=CCCNC(=O)CNC(=O)C 1626a_100015191253_100000194580 [0,2,0,0,0,0|2,0,0]=4 4936 B11R0.46 C=CCCNC(=O)CNC(=O)C 240690a_100015191253_100000194580 [0,2,0,0,0,0|2,0,0]=4 4937 B11R0.46 C=CCCNC(=O)CNC(=O)C 527a_100015191253_100000194580 [0,2,0,0,0,0|2,0,0]=4 4938 B11R0.46 C=CCCNC(=O)COC(=O)C 1626a_100015191253_100000183556 [0,2,0,0,0,0|2,0,0]=4 4939 B11R0.46 C=CCCNC(=O)COC(=O)C 240690a_100015191253_100000183556 [0,2,0,0,0,0|2,0,0]=4 4940 B11R0.46 C=CCCNC(=O)COC(=O)C 527a_100015191253_100000183556 [0,2,0,0,0,0|2,0,0]=4 4941 B11R0.46 C=CCCNC(=O)CSC(=O)C 11a_100015191253_100000049016 [0,2,0,0,0,0|2,0,0]=4 4942 B11R0.46 C=CCCNC(=O)CSC(=O)C 1626a_100015191253_100000049016 [0,2,0,0,0,0|2,0,0]=4 4943 B11R0.46 C=CCCNC(=O)CSC(=O)C 240690a_100015191253_100000049016 [0,2,0,0,0,0|2,0,0]=4 4944 B11R0.46 C=CCOCC(=O)COC(=O)C 34a_200000210373_100000036994 [0,2,0,0,0,0|1,0,1]=4 4945 B11R0.46 CC#CCNC(=O)CCC(=O)N 527a_100000685387_100011215257 [0,2,0,0,0,0|2,0,0]=4 4946 B11R0.46 CC#CCNC(=O)CNC(=O)C 11a_100000685387_100000194580 [0,2,0,0,0,0|2,0,0]=4 4947 B11R0.46 CC#CCNC(=O)CNC(=O)C 1626a_100000685387_100000194580 [0,2,0,0,0,0|2,0,0]=4 4948 B11R0.46 CC#CCNC(=O)CNC(=O)C 527a_100000685387_100000194580 [0,2,0,0,0,0|2,0,0]=4 4949 B11R0.46 CC#CCNC(=O)COC(=O)C 1626a_100000685387_100000183556 [0,2,0,0,0,0|2,0,0]=4 4950 B11R0.46 CC#CCNC(=O)COC(=O)C 527a_100000685387_100000183556 [0,2,0,0,0,0|2,0,0]=4 4951 B11R0.46 CC#CCNC(=O)CSC(=O)C 11a_100000685387_100000049016 [0,2,0,0,0,0|2,0,0]=4 4952 B11R0.46 CC#CCNC(=O)CSC(=O)C 1626a_100000685387_100000049016 [0,2,0,0,0,0|2,0,0]=4 4953 B11R0.46 CC(=CCC(=O)COCCO)C 1458a_100000708028_100000761012 [0,2,0,0,0,0|1,0,1]=4 4954 B11R0.46 CC(=O)CCC(=O)OCCC#N 1458a_200009922858_200000210301 [0,2,0,0,0,0|0,0,0]=2 4955 B11R0.46 CC(=O)NCC(=O)CCCC#N 1458a_100000194580_100000211468 [0,2,0,0,0,0|2,0,0]=4 4956 B11R0.46 CC(=O)NCC(=O)CCCCF 1458a_100000194580_100000729493 [0,2,0,0,0,0|2,0,0]=4 4957 B11R0.46 CC(=O)NCC(=O)CCCCO 1458a_100000194580_100000210776 [0,2,0,0,0,0|2,0,0]=4 4958 B11R0.46 CC(=O)NCC(=O)NCCC#N 11a_100000720768_100000194580 [0,2,0,0,0,0|2,0,0]=4 4959 B11R0.46 CC(=O)NCC(=O)NCCC#N 1626a_100000720768_100000194580 [0,2,0,0,0,0|2,0,0]=4 4960 B11R0.46 CC(=O)NCC(=O)NCCC#N 240690a_100000720768_100000194580 [0,2,0,0,0,0|2,0,0]=4 4961 B11R0.46 CC(=O)NCC(=O)NCCC#N 527a_100000720768_100000194580 [0,2,0,0,0,0|2,0,0]=4 4962 B11R0.46 CC(=O)NCC(=O)NCCCF 11a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 4963 B11R0.46 CC(=O)NCC(=O)NCCCF 1626a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 4964 B11R0.46 CC(=O)NCC(=O)NCCCF 240690a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 4965 B11R0.46 CC(=O)NCC(=O)NCCCF 527a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 4966 B11R0.46 CC(=O)NCC(=O)NCCCO 240690a_100000182051_100000194580 [0,2,0,0,0,0|2,0,0]=4 4967 B11R0.46 CC(=O)NCC(=O)NCCCO 527a_100000182051_100000194580 [0,2,0,0,0,0|2,0,0]=4 4968 B11R0.46 CC(=O)NCC(=O)NNCCO 22a_100000210001_100000194580 [0,2,0,0,0,0|2,0,0]=4 4969 B11R0.46 CC(=O)OCC(=O)CCCC#N 1458a_100000183556_100000211468 [0,2,0,0,0,0|2,0,0]=4 4970 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [0,2,0,0,0,0|2,0,0]=4 4971 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [0,2,0,0,0,0|2,0,0]=4 4972 B11R0.46 CC(=O)OCC(=O)CNCCF 34a_100000724931_100000036994 [0,2,0,0,0,0|2,0,0]=4 4973 B11R0.46 CC(=O)OCC(=O)CNCCO 34a_100016990907_100000036994 [0,2,0,0,0,0|2,0,0]=4 4974 B11R0.46 CC(=O)OCC(=O)COCCBr 34a_100000211926_100000036994 [0,2,0,0,0,0|1,0,0]=3 4975 B11R0.46 CC(=O)OCC(=O)COCCN 34a_100000210304_100000036994 [0,2,0,0,0,0|1,0,0]=3 4976 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100000036994_100011217306 [0,2,0,0,0,0|1,1,0]=4 4977 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100011217306_100000036994 [0,2,0,0,0,0|1,1,0]=4 4978 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000036994_100000211926 [0,2,0,0,0,0|1,1,0]=4 4979 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000211926_100000036994 [0,2,0,0,0,0|1,1,0]=4 4980 B11R0.46 CC(=O)OCC(=O)NCCC#N 1626a_100000720768_100000183556 [0,2,0,0,0,0|2,0,0]=4 4981 B11R0.46 CC(=O)OCC(=O)NCCC#N 240690a_100000720768_100000183556 [0,2,0,0,0,0|2,0,0]=4 4982 B11R0.46 CC(=O)OCC(=O)NCCC#N 527a_100000720768_100000183556 [0,2,0,0,0,0|2,0,0]=4 4983 B11R0.46 CC(=O)OCC(=O)NCCCF 1626a_100015189416_100000183556 [0,2,0,0,0,0|2,0,0]=4 4984 B11R0.46 CC(=O)OCC(=O)NCCCF 240690a_100015189416_100000183556 [0,2,0,0,0,0|2,0,0]=4 4985 B11R0.46 CC(=O)OCC(=O)NCCCF 527a_100015189416_100000183556 [0,2,0,0,0,0|2,0,0]=4 4986 B11R0.46 CC(=O)OCC(=O)NCCCO 240690a_100000182051_100000183556 [0,2,0,0,0,0|2,0,0]=4 4987 B11R0.46 CC(=O)OCC(=O)NCCCO 527a_100000182051_100000183556 [0,2,0,0,0,0|2,0,0]=4 4988 B11R0.46 CC(=O)OCC(=O)NNCCO 22a_100000210001_100000183556 [0,2,0,0,0,0|2,0,0]=4 4989 B11R0.46 CC(=O)SCC(=O)CCCC#N 1458a_100000049016_100000211468 [0,2,0,0,0,0|2,0,0]=4 4990 B11R0.46 CC(=O)SCC(=O)CCCCF 1458a_100000049016_100000729493 [0,2,0,0,0,0|2,0,0]=4 4991 B11R0.46 CC(=O)SCC(=O)CCCCO 1458a_100000049016_100000210776 [0,2,0,0,0,0|2,0,0]=4 4992 B11R0.46 CC(=O)SCC(=O)NCCC#N 11a_100000720768_100000049016 [0,2,0,0,0,0|2,0,0]=4 4993 B11R0.46 CC(=O)SCC(=O)NCCC#N 1626a_100000720768_100000049016 [0,2,0,0,0,0|2,0,0]=4 4994 B11R0.46 CC(=O)SCC(=O)NCCC#N 240690a_100000720768_100000049016 [0,2,0,0,0,0|2,0,0]=4 4995 B11R0.46 CC(=O)SCC(=O)NCCCF 11a_100015189416_100000049016 [0,2,0,0,0,0|2,0,0]=4 4996 B11R0.46 CC(=O)SCC(=O)NCCCF 1626a_100015189416_100000049016 [0,2,0,0,0,0|2,0,0]=4 4997 B11R0.46 CC(=O)SCC(=O)NCCCF 240690a_100015189416_100000049016 [0,2,0,0,0,0|2,0,0]=4 4998 B11R0.46 CC(=O)SCC(=O)NCCCO 240690a_100000182051_100000049016 [0,2,0,0,0,0|2,0,0]=4 4999 B11R0.46 CC(C)CCC(=O)COCCO 1458a_100000708028_100000210312 [0,2,0,0,0,0|1,0,1]=4 5000 B11R0.46 CC(O)CCC(=O)COCCO 1458a_100000708028_100012276601 [0,2,0,0,0,0|0,0,2]=4 5001 B11R0.46 CC/C=C\CC(=O)CCC(=O)N 1458a_100011215257_100103147603 [0,2,0,0,0,0|2,0,0]=4 5002 B11R0.46 CC/C=C\CC(=O)CNC(=O)C 1458a_100000194580_100103147603 [0,2,0,0,0,0|2,0,0]=4 5003 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,2,0,0,0,0|2,0,0]=4 5004 B11R0.46 CC/C=C\CC(=O)CSC(=O)C 1458a_100000049016_100103147603 [0,2,0,0,0,0|2,0,0]=4 5005 B11R0.46 CCC#CCC(=O)CCC(=O)N 1458a_100011215257_100009813939 [0,2,0,0,0,0|2,0,0]=4 5006 B11R0.46 CCC#CCC(=O)CNC(=O)C 1458a_100000194580_100009813939 [0,2,0,0,0,0|2,0,0]=4 5007 B11R0.46 CCC#CCC(=O)COC(=O)C 1458a_100000183556_100009813939 [0,2,0,0,0,0|2,0,0]=4 5008 B11R0.46 CCC#CCC(=O)CSC(=O)C 1458a_100000049016_100009813939 [0,2,0,0,0,0|2,0,0]=4 5009 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,2,0,0,0,0|2,0,0]=4 5010 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,2,0,0,0,0|2,0,0]=4 5011 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|2,0,0]=4 5012 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,2,0,0,0,0|2,0,0]=4 5013 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [0,2,0,0,0,0|2,0,0]=4 5014 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [0,2,0,0,0,0|2,0,0]=4 5015 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [0,2,0,0,0,0|2,0,0]=4 5016 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [0,2,0,0,0,0|2,0,0]=4 5017 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [0,2,0,0,0,0|2,0,0]=4 5018 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [0,2,0,0,0,0|2,0,0]=4 5019 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [0,2,0,0,0,0|2,0,0]=4 5020 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [0,2,0,0,0,0|2,0,0]=4 5021 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [0,2,0,0,0,0|2,0,0]=4 5022 B11R0.46 CCCCNC(=O)CSC(=O)C 11a_100000102301_100000049016 [0,2,0,0,0,0|2,0,0]=4 5023 B11R0.46 CCCCNC(=O)CSC(=O)C 1626a_100000102301_100000049016 [0,2,0,0,0,0|2,0,0]=4 5024 B11R0.46 CCCCNC(=O)CSC(=O)C 240690a_100000102301_100000049016 [0,2,0,0,0,0|2,0,0]=4 5025 B11R0.46 CCCNNC(=O)CCC(=O)N 22a_100000740057_100011215257 [0,2,0,0,0,0|2,0,0]=4 5026 B11R0.46 CCCNNC(=O)CNC(=O)C 22a_100000740057_100000194580 [0,2,0,0,0,0|2,0,0]=4 5027 B11R0.46 CCCNNC(=O)COC(=O)C 22a_100000740057_100000183556 [0,2,0,0,0,0|2,0,0]=4 5028 B11R0.46 CCCOCC(=O)CC=C(C)C 1458a_100000745993_100000761012 [0,2,0,0,0,0|1,0,1]=4 5029 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,2,0,0,0,0|1,0,1]=4 5030 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,2,0,0,0,0|0,0,2]=4 5031 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [0,2,0,0,0,0|1,0,0]=3 5032 B11R0.46 CCCOCC(=O)NCC(=O)N 11a_100000711301_100000745993 [0,2,0,0,0,0|2,0,0]=4 5033 B11R0.46 CCCOCC(=O)NCC(=O)N 240690a_100000711301_100000745993 [0,2,0,0,0,0|2,0,0]=4 5034 B11R0.46 CCCOCC(=O)NCC(=O)N 527a_100000711301_100000745993 [0,2,0,0,0,0|2,0,0]=4 5035 B11R0.46 CCCOCC(=O)NNC(=O)C 22a_100000189765_100000745993 [0,2,0,0,0,0|2,0,0]=4 5036 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [0,2,0,0,0,0|1,1,0]=4 5037 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [0,2,0,0,0,0|1,1,0]=4 5038 B11R0.46 CCOC=CC(=O)CC=C(C)C 1458a_100016266692_100000761012 [0,2,0,0,0,0|1,0,1]=4 5039 B11R0.46 CCOC=CC(=O)CCC(C)C 1458a_100016266692_100000210312 [0,2,0,0,0,0|1,0,1]=4 5040 B11R0.46 CCOC=CC(=O)CCC(C)O 1458a_100016266692_100012276601 [0,2,0,0,0,0|0,0,2]=4 5041 B11R0.46 CCOC=CC(=O)NCC(=O)N 11a_100000711301_100016266692 [0,2,0,0,0,0|2,0,0]=4 5042 B11R0.46 CCOC=CC(=O)NCC(=O)N 240690a_100000711301_100016266692 [0,2,0,0,0,0|2,0,0]=4 5043 B11R0.46 CCOC=CC(=O)NNC(=O)C 22a_100000189765_100016266692 [0,2,0,0,0,0|2,0,0]=4 5044 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100000749530_100000761012 [0,2,0,0,0,0|1,0,1]=4 5045 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215890 [0,2,0,0,0,0|1,0,1]=4 5046 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [0,2,0,0,0,0|1,0,0]=3 5047 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,2,0,0,0,0|1,0,1]=4 5048 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,2,0,0,0,0|1,0,1]=4 5049 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,2,0,0,0,0|0,0,2]=4 5050 B11R0.46 CCOCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215890 [0,2,0,0,0,0|2,0,0]=4 5051 B11R0.46 CCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215890 [0,2,0,0,0,0|2,0,0]=4 5052 B11R0.46 CCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215890 [0,2,0,0,0,0|1,0,0]=3 5053 B11R0.46 CCOCCC(=O)CNC(=O)N 1458a_100000184981_100011215890 [0,2,0,0,0,0|2,0,0]=4 5054 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [0,2,0,0,0,0|1,0,0]=3 5055 B11R0.46 CCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215890 [0,2,0,0,0,0|1,0,0]=3 5056 B11R0.46 CCOCCC(=O)NCC(=O)N 11a_100000711301_100000749530 [0,2,0,0,0,0|2,0,0]=4 5057 B11R0.46 CCOCCC(=O)NCC(=O)N 240690a_100000711301_100000749530 [0,2,0,0,0,0|2,0,0]=4 5058 B11R0.46 CCOCCC(=O)NCC(=O)N 527a_100000711301_100000749530 [0,2,0,0,0,0|2,0,0]=4 5059 B11R0.46 CCOCCC(=O)NNC(=O)C 22a_100000189765_100000749530 [0,2,0,0,0,0|2,0,0]=4 5060 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [0,2,0,0,0,0|1,1,0]=4 5061 B11R0.46 CCSCCC(=O)CNC(=O)C 1458a_100000194580_100000757381 [0,2,0,0,0,0|1,1,0]=4 5062 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [0,2,0,0,0,0|1,1,0]=4 5063 B11R0.46 CCSCCC(=O)CSC(=O)C 1458a_100000049016_100000757381 [0,2,0,0,0,0|1,1,0]=4 5064 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [0,2,0,0,0,0|2,0,0]=4 5065 B11R0.46 COCCCC(=O)CNC(=O)C 1458a_100000194580_100000740836 [0,2,0,0,0,0|2,0,0]=4 5066 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [0,2,0,0,0,0|2,0,0]=4 5067 B11R0.46 COCCCC(=O)CSC(=O)C 1458a_100000049016_100000740836 [0,2,0,0,0,0|2,0,0]=4 5068 B11R0.46 COCCNC(=O)CCC(=O)N 240690a_100000209980_100011215257 [0,2,0,0,0,0|2,0,0]=4 5069 B11R0.46 COCCNC(=O)CCC(=O)N 527a_100000209980_100011215257 [0,2,0,0,0,0|2,0,0]=4 5070 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000209980_100000194580 [0,2,0,0,0,0|2,0,0]=4 5071 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000754632_100015343762 [0,2,0,0,0,0|2,0,0]=4 5072 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000209980_100000194580 [0,2,0,0,0,0|2,0,0]=4 5073 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000754632_100015343762 [0,2,0,0,0,0|2,0,0]=4 5074 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000209980_100000194580 [0,2,0,0,0,0|2,0,0]=4 5075 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000754632_100103153847 [0,2,0,0,0,0|2,0,0]=4 5076 B11R0.46 COCCNC(=O)COC(=O)C 1626a_100000209980_100000183556 [0,2,0,0,0,0|2,0,0]=4 5077 B11R0.46 COCCNC(=O)COC(=O)C 240690a_100000209980_100000183556 [0,2,0,0,0,0|2,0,0]=4 5078 B11R0.46 COCCNC(=O)COC(=O)C 527a_100000209980_100000183556 [0,2,0,0,0,0|2,0,0]=4 5079 B11R0.46 COCCNC(=O)CSC(=O)C 1626a_100000209980_100000049016 [0,2,0,0,0,0|2,0,0]=4 5080 B11R0.46 COCCNC(=O)CSC(=O)C 240690a_100000209980_100000049016 [0,2,0,0,0,0|2,0,0]=4 5081 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000036994_100000766300 [0,2,0,0,0,0|1,1,0]=4 5082 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000766300_100000036994 [0,2,0,0,0,0|1,1,0]=4 5083 B11R0.46 CSCCNC(=O)CCC(=O)N 240690a_100020590264_100011215257 [0,2,0,0,0,0|2,0,0]=4 5084 B11R0.46 CSCCNC(=O)CCC(=O)N 527a_100020590264_100011215257 [0,2,0,0,0,0|2,0,0]=4 5085 B11R0.46 CSCCNC(=O)CNC(=O)C 11a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 5086 B11R0.46 CSCCNC(=O)CNC(=O)C 1626a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 5087 B11R0.46 CSCCNC(=O)CNC(=O)C 240690a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 5088 B11R0.46 CSCCNC(=O)CNC(=O)C 527a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 5089 B11R0.46 CSCCNC(=O)COC(=O)C 1626a_100020590264_100000183556 [0,2,0,0,0,0|2,0,0]=4 5090 B11R0.46 CSCCNC(=O)COC(=O)C 240690a_100020590264_100000183556 [0,2,0,0,0,0|2,0,0]=4 5091 B11R0.46 CSCCNC(=O)COC(=O)C 527a_100020590264_100000183556 [0,2,0,0,0,0|2,0,0]=4 5092 B11R0.46 CSCCNC(=O)CSC(=O)C 11a_100020590264_100000049016 [0,2,0,0,0,0|2,0,0]=4 5093 B11R0.46 CSCCNC(=O)CSC(=O)C 1626a_100020590264_100000049016 [0,2,0,0,0,0|2,0,0]=4 5094 B11R0.46 CSCCNC(=O)CSC(=O)C 240690a_100020590264_100000049016 [0,2,0,0,0,0|2,0,0]=4 5095 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100000036994_100011218213 [0,2,0,0,0,0|1,1,0]=4 5096 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100011218213_100000036994 [0,2,0,0,0,0|1,1,0]=4 5097 B11R0.46 N#CCCCC(=O)CCC(=O)N 1458a_100011215257_100000211468 [0,2,0,0,0,0|2,0,0]=4 5098 B11R0.46 N#CCCNC(=O)CCC(=O)N 240690a_100000720768_100011215257 [0,2,0,0,0,0|2,0,0]=4 5099 B11R0.46 N#CCCNC(=O)CCC(=O)N 527a_100000720768_100011215257 [0,2,0,0,0,0|2,0,0]=4 5100 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [0,2,0,0,0,0|2,0,0]=4 5101 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [0,2,0,0,0,0|2,0,0]=4 5102 B11R0.46 NC(=O)CCC(=O)NCCCF 240690a_100015189416_100011215257 [0,2,0,0,0,0|2,0,0]=4 5103 B11R0.46 NC(=O)CCC(=O)NCCCF 527a_100015189416_100011215257 [0,2,0,0,0,0|2,0,0]=4 5104 B11R0.46 NC(=O)CCC(=O)NCCCO 240690a_100000182051_100011215257 [0,2,0,0,0,0|2,0,0]=4 5105 B11R0.46 NC(=O)CCC(=O)NCCCO 527a_100000182051_100011215257 [0,2,0,0,0,0|2,0,0]=4 5106 B11R0.46 NC(=O)CCC(=O)NNCCO 22a_100000210001_100011215257 [0,2,0,0,0,0|2,0,0]=4 5107 B11R0.46 NC(=O)CNC(=O)COCCO 240690a_100000711301_100000708028 [0,2,0,0,0,0|2,0,0]=4 5108 B11R0.46 [13CH3]C(=O)CCC(=O)OCCC#N 1458a_200009922858_200025704644 [0,2,0,0,0,0|0,0,0]=2 5109 B11R0.70 C#CC(=O)COC(=O)OCCC 1458a_100000211873_200000139673 [0,2,0,0,0,0|1,0,1]=4 5110 B11R0.70 C#CCCC(=O)CCC(=O)NC 1458a_100011309844_100000753159 [0,2,0,0,0,0|1,0,1]=4 5111 B11R0.70 C#CCCC(=O)CCC(=O)OC 1458a_100000187943_100000753159 [0,2,0,0,0,0|1,0,1]=4 5112 B11R0.70 C#CCNC(=O)CCC(=O)NC 11a_100000212058_100011309844 [0,2,0,0,0,0|1,0,1]=4 5113 B11R0.70 C#CCNC(=O)CCC(=O)NC 1626a_100000212058_100011309844 [0,2,0,0,0,0|1,0,1]=4 5114 B11R0.70 C#CCNC(=O)CCC(=O)NC 240690a_100000212058_100011309844 [0,2,0,0,0,0|1,0,1]=4 5115 B11R0.70 C#CCNC(=O)CCC(=O)NC 527a_100000212058_100011309844 [0,2,0,0,0,0|1,0,1]=4 5116 B11R0.70 C#CCNC(=O)CCC(=O)OC 11a_100000212058_100000187943 [0,2,0,0,0,0|1,0,1]=4 5117 B11R0.70 C#CCNC(=O)CCC(=O)OC 1626a_100000212058_100000187943 [0,2,0,0,0,0|1,0,1]=4 5118 B11R0.70 C#CCNC(=O)CCC(=O)OC 240690a_100000212058_100000187943 [0,2,0,0,0,0|1,0,1]=4 5119 B11R0.70 C#CCNC(=O)CCC(=O)OC 527a_100000212058_100000187943 [0,2,0,0,0,0|1,0,1]=4 5120 B11R0.70 C/C=C/CC(=O)CCC(=O)NC 1458a_100011309844_100102629194 [0,2,0,0,0,0|1,0,1]=4 5121 B11R0.70 C/C=C/CC(=O)CCC(=O)OC 1458a_100000187943_100102629194 [0,2,0,0,0,0|1,0,1]=4 5122 B11R0.70 C=CC(=O)COC(=O)OCCC 1458a_100000185746_200000139673 [0,2,0,0,0,0|1,0,1]=4 5123 B11R0.70 C=CCCC(=O)CCC(=O)NC 1458a_100011309844_100000754431 [0,2,0,0,0,0|1,0,1]=4 5124 B11R0.70 C=CCCC(=O)CCC(=O)OC 1458a_100000187943_100000754431 [0,2,0,0,0,0|1,0,1]=4 5125 B11R0.70 C=CCNC(=O)CCC(=O)NC 1626a_100020586998_100011309844 [0,2,0,0,0,0|1,0,1]=4 5126 B11R0.70 C=CCNC(=O)CCC(=O)NC 240690a_100020586998_100011309844 [0,2,0,0,0,0|1,0,1]=4 5127 B11R0.70 C=CCNC(=O)CCC(=O)NC 527a_100020586998_100011309844 [0,2,0,0,0,0|1,0,1]=4 5128 B11R0.70 C=CCNC(=O)CCC(=O)OC 1626a_100020586998_100000187943 [0,2,0,0,0,0|1,0,1]=4 5129 B11R0.70 C=CCNC(=O)CCC(=O)OC 240690a_100020586998_100000187943 [0,2,0,0,0,0|1,0,1]=4 5130 B11R0.70 C=CCNC(=O)CCC(=O)OC 527a_100020586998_100000187943 [0,2,0,0,0,0|1,0,1]=4 5131 B11R0.70 C=CCOC(=O)NCC(=O)CC 1458a_100000216761_100000210202 [0,2,0,0,0,0|1,0,1]=4 5132 B11R0.70 C=CCOC(=O)NCC(=O)CF 1458a_100000216761_100015361967 [0,2,0,0,0,0|1,0,1]=4 5133 B11R0.70 C=CCOC(=O)NCC(=O)NC 11a_106832991635_100000216761 [0,2,0,0,0,0|1,0,1]=4 5134 B11R0.70 C=CCOC(=O)NCC(=O)NC 1626a_100102657272_100000216761 [0,2,0,0,0,0|1,0,1]=4 5135 B11R0.70 C=CCOC(=O)NCC(=O)NC 240690a_100102657272_100000216761 [0,2,0,0,0,0|1,0,1]=4 5136 B11R0.70 C=CCOC(=O)NCC(=O)NC 527a_100102657272_100000216761 [0,2,0,0,0,0|1,0,1]=4 5137 B11R0.70 CC#CCC(=O)CCC(=O)NC 1458a_100011309844_100000748600 [0,2,0,0,0,0|1,0,1]=4 5138 B11R0.70 CC#CCC(=O)CCC(=O)OC 1458a_100000187943_100000748600 [0,2,0,0,0,0|1,0,1]=4 5139 B11R0.70 CC=CCC(=O)CCC(=O)NC 1458a_100011309844_100000070051 [0,2,0,0,0,0|1,0,1]=4 5140 B11R0.70 CC=CCC(=O)CCC(=O)OC 1458a_100000187943_100000070051 [0,2,0,0,0,0|1,0,1]=4 5141 B11R0.70 CCC(=O)NCC(=O)CCCF 1458a_100000194589_100011934791 [0,2,0,0,0,0|2,0,0]=4 5142 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [0,2,0,0,0,0|2,0,0]=4 5143 B11R0.70 CCC(=O)NCC(=O)CCOC 1458a_100000194589_100000233755 [0,2,0,0,0,0|2,0,0]=4 5144 B11R0.70 CCC(=O)NCC(=O)CCSC 1458a_100000194589_100000751147 [0,2,0,0,0,0|2,0,0]=4 5145 B11R0.70 CCC(=O)NCC(=O)NCCF 11a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 5146 B11R0.70 CCC(=O)NCC(=O)NCCF 11a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 5147 B11R0.70 CCC(=O)NCC(=O)NCCF 1626a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 5148 B11R0.70 CCC(=O)NCC(=O)NCCF 1626a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 5149 B11R0.70 CCC(=O)NCC(=O)NCCF 240690a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 5150 B11R0.70 CCC(=O)NCC(=O)NCCF 240690a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 5151 B11R0.70 CCC(=O)NCC(=O)NCCF 527a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 5152 B11R0.70 CCC(=O)NCC(=O)NCCF 527a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 5153 B11R0.70 CCC(=O)NCC(=O)NCCO 240690a_100000210304_100000194589 [0,2,0,0,0,0|2,0,0]=4 5154 B11R0.70 CCC(=O)NCC(=O)NCCO 527a_100000210304_100000194589 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.70 CCC=CC(=O)NCC(=O)NC 11a_100000693194_100000212282 [0,2,0,0,0,0|2,0,0]=4 5156 B11R0.70 CCC=CC(=O)NCC(=O)NC 240690a_100000693194_100000212282 [0,2,0,0,0,0|2,0,0]=4 5157 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,2,0,0,0,0|1,0,0]=3 5158 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,2,0,0,0,0|1,0,0]=3 5159 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,2,0,0,0,0|2,0,0]=4 5160 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [0,2,0,0,0,0|2,0,0]=4 5161 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [0,2,0,0,0,0|2,0,0]=4 5162 B11R0.70 CCCCC(=O)NCC(=O)NC 11a_100000693194_100000210183 [0,2,0,0,0,0|2,0,0]=4 5163 B11R0.70 CCCCC(=O)NCC(=O)NC 240690a_100000693194_100000210183 [0,2,0,0,0,0|2,0,0]=4 5164 B11R0.70 CCCCC(=O)NCC(=O)NC 527a_100000693194_100000210183 [0,2,0,0,0,0|2,0,0]=4 5165 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [0,2,0,0,0,0|2,0,0]=4 5166 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,2,0,0,0,0|1,0,0]=3 5167 B11R0.70 CCCNC(=O)CCC(=O)CF 1458a_100000199543_100015361967 [0,2,0,0,0,0|1,0,0]=3 5168 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [0,2,0,0,0,0|1,0,0]=3 5169 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [0,2,0,0,0,0|1,0,0]=3 5170 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [0,2,0,0,0,0|1,0,0]=3 5171 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [0,2,0,0,0,0|1,0,0]=3 5172 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [0,2,0,0,0,0|1,0,0]=3 5173 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [0,2,0,0,0,0|1,0,0]=3 5174 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [0,2,0,0,0,0|1,0,0]=3 5175 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [0,2,0,0,0,0|1,0,0]=3 5176 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [0,2,0,0,0,0|1,0,0]=3 5177 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [0,2,0,0,0,0|1,0,0]=3 5178 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [0,2,0,0,0,0|1,0,0]=3 5179 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [0,2,0,0,0,0|1,0,0]=3 5180 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 5181 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 5182 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 5183 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 5184 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 5185 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 5186 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 5187 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 5188 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 5189 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 5190 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 5191 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 5192 B11R0.70 CCCNC(=O)CNC(=O)CO 240690a_100000174927_100000210174 [0,2,0,0,0,0|2,0,0]=4 5193 B11R0.70 CCCNC(=O)CNC(=O)CO 527a_100000174927_100000210174 [0,2,0,0,0,0|2,0,0]=4 5194 B11R0.70 CCCNC(=O)CNC(=O)NC 2708a_100102657272_100000174927 [0,2,0,0,0,0|2,0,0]=4 5195 B11R0.70 CCCNC(=O)CNC(=O)NC 273464a_100000174927_100102657272 [0,2,0,0,0,0|2,0,0]=4 5196 B11R0.70 CCCNC(=O)CNC(=O)NC 273464a_100102657272_100000174927 [0,2,0,0,0,0|2,0,0]=4 5197 B11R0.70 CCCNC(=O)CNC(=O)NC 512a_100000174927_100102657272 [0,2,0,0,0,0|2,0,0]=4 5198 B11R0.70 CCCNC(=O)CNC(=O)NC 512a_106832991638_100000174927 [0,2,0,0,0,0|2,0,0]=4 5199 B11R0.70 CCCNC(=O)CNC(=O)OC 11a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 5200 B11R0.70 CCCNC(=O)CNC(=O)OC 1626a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 5201 B11R0.70 CCCNC(=O)CNC(=O)OC 240690a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 5202 B11R0.70 CCCNC(=O)CNC(=O)OC 527a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 5203 B11R0.70 CCCNC(=O)NCC(=O)NC 2708a_100020643023_100000693194 [0,2,0,0,0,0|2,0,0]=4 5204 B11R0.70 CCCNC(=O)NCC(=O)NC 273464a_100000693194_100020643023 [0,2,0,0,0,0|2,0,0]=4 5205 B11R0.70 CCCNC(=O)NCC(=O)NC 273464a_100020643023_100000693194 [0,2,0,0,0,0|2,0,0]=4 5206 B11R0.70 CCCNC(=O)NCC(=O)NC 512a_100020643023_100000693194 [0,2,0,0,0,0|2,0,0]=4 5207 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [0,2,0,0,0,0|1,0,0]=3 5208 B11R0.70 CCCOC(=O)OCC(=O)CO 1458a_100000210174_200000139673 [0,2,0,0,0,0|1,0,0]=3 5209 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [0,2,0,0,0,0|1,0,0]=3 5210 B11R0.70 CCNCC(=O)NCC(=O)OC 2230a_100015525214_100000182966 [0,2,0,0,0,0|2,0,0]=4 5211 B11R0.70 CCNN=C(C)CCC(=O)OC 4a_100000756455_100000756497 [0,2,0,0,0,0|2,0,0]=4 5212 B11R0.70 CCNNC(=O)CCC(=O)NC 22a_100000756455_100011309844 [0,2,0,0,0,0|1,0,0]=3 5213 B11R0.70 CCNNC(=O)CNC(=O)CC 22a_100000756455_100000194589 [0,2,0,0,0,0|2,0,0]=4 5214 B11R0.70 CCNNC(=O)CNC(=O)OC 22a_100000756455_100000215747 [0,2,0,0,0,0|2,0,0]=4 5215 B11R0.70 CCNNC(=O)NCC(=O)NC 273464a_100000693194_100000756455 [0,2,0,0,0,0|2,0,0]=4 5216 B11R0.70 CCNNC(=O)NCC(=O)NC 512a_100000756455_100000693194 [0,2,0,0,0,0|2,0,0]=4 5217 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,2,0,0,0,0|0,0,0]=2 5218 B11R0.70 CCOCC(=O)NCC(=O)NC 11a_100000693194_100000211967 [0,2,0,0,0,0|1,0,0]=3 5219 B11R0.70 CCOCC(=O)NCC(=O)NC 240690a_100000693194_100000211967 [0,2,0,0,0,0|1,0,0]=3 5220 B11R0.70 CCOCC(=O)NCC(=O)NC 527a_100000693194_100000211967 [0,2,0,0,0,0|1,0,0]=3 5221 B11R0.70 CCOCC(=O)NCC(=O)OC 188690a_100000185156_100000211967 [0,2,0,0,0,0|1,0,0]=3 5222 B11R0.70 CCOCC(=O)NCC(=O)OC 34a_100121572206_100000182966 [0,2,0,0,0,0|1,0,0]=3 5223 B11R0.70 CCOCC(=O)NNC(=O)CC 22a_100000183195_100000211967 [0,2,0,0,0,0|2,0,0]=4 5224 B11R0.70 CCOCC(=O)NNC(=O)CC 22a_100000216846_100000210414 [0,2,0,0,0,0|2,0,0]=4 5225 B11R0.70 CCOCC(=O)NNC(=O)CO 22a_100000216846_100000210174 [0,2,0,0,0,0|2,0,0]=4 5226 B11R0.70 CCOCC(=O)NNC(=O)NC 273464a_100102657272_100000216846 [0,2,0,0,0,0|2,0,0]=4 5227 B11R0.70 CCOCN(C)CCC(=O)NC 269982a_100000750875_100000739092 [0,2,0,0,0,0|2,0,0]=4 5228 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [0,2,0,0,0,0|2,0,0]=4 5229 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [0,2,0,0,0,0|2,0,0]=4 5230 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [0,2,0,0,0,0|2,0,0]=4 5231 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [0,2,0,0,0,0|2,0,0]=4 5232 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [0,2,0,0,0,0|2,0,0]=4 5233 B11R0.70 CCS(=O)CCC(=O)NCCF 11a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 5234 B11R0.70 CCS(=O)CCC(=O)NCCF 1626a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 5235 B11R0.70 CCS(=O)CCC(=O)NCCF 240690a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 5236 B11R0.70 CCS(=O)CCC(=O)NCCF 527a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 5237 B11R0.70 CCS(=O)CCC(=O)NCCO 240690a_100000210304_100011387550 [0,2,0,0,0,0|2,0,0]=4 5238 B11R0.70 CCS(=O)CCC(=O)NCCO 527a_100000210304_100011387550 [0,2,0,0,0,0|2,0,0]=4 5239 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [0,2,0,0,0,0|0,1,0]=3 5240 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [0,2,0,0,0,0|0,1,0]=3 5241 B11R0.70 CCSCC(=O)NCC(=O)NC 11a_100000693194_100000230394 [0,2,0,0,0,0|1,1,0]=4 5242 B11R0.70 CCSCC(=O)NCC(=O)NC 240690a_100000693194_100000230394 [0,2,0,0,0,0|1,1,0]=4 5243 B11R0.70 CCSCC(=O)NCC(=O)NC 527a_100000693194_100000230394 [0,2,0,0,0,0|1,1,0]=4 5244 B11R0.70 CCSCC(=O)NCC(=O)OC 188690a_100000185156_100000230394 [0,2,0,0,0,0|1,1,0]=4 5245 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000182966_100000210202 [0,2,0,0,0,0|1,1,0]=4 5246 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000210202_100000182966 [0,2,0,0,0,0|1,1,0]=4 5247 B11R0.70 CNC(=O)CCC(=O)CCC#N 1458a_100011309844_100011215226 [0,2,0,0,0,0|1,0,1]=4 5248 B11R0.70 CNC(=O)CCC(=O)CCCF 1458a_100011309844_100011934791 [0,2,0,0,0,0|1,0,0]=3 5249 B11R0.70 CNC(=O)CCC(=O)CCCO 1458a_100011309844_100011215043 [0,2,0,0,0,0|1,0,0]=3 5250 B11R0.70 CNC(=O)CCC(=O)CCOC 1458a_100011309844_100000233755 [0,2,0,0,0,0|1,0,0]=3 5251 B11R0.70 CNC(=O)CCC(=O)CCSC 1458a_100011309844_100000751147 [0,2,0,0,0,0|1,0,0]=3 5252 B11R0.70 CNC(=O)CCC(=O)NCC#N 1626a_100000734998_100011309844 [0,2,0,0,0,0|1,0,1]=4 5253 B11R0.70 CNC(=O)CCC(=O)NCC#N 527a_100000734998_100011309844 [0,2,0,0,0,0|1,0,1]=4 5254 B11R0.70 CNC(=O)CCC(=O)NCCF 11a_100000724931_100011309844 [0,2,0,0,0,0|1,0,0]=3 5255 B11R0.70 CNC(=O)CCC(=O)NCCF 1626a_100000724931_100011309844 [0,2,0,0,0,0|1,0,0]=3 5256 B11R0.70 CNC(=O)CCC(=O)NCCF 240690a_100000724931_100011309844 [0,2,0,0,0,0|1,0,0]=3 5257 B11R0.70 CNC(=O)CCC(=O)NCCF 527a_100000724931_100011309844 [0,2,0,0,0,0|1,0,0]=3 5258 B11R0.70 CNC(=O)CCC(=O)NCCO 240690a_100000210304_100011309844 [0,2,0,0,0,0|1,0,0]=3 5259 B11R0.70 CNC(=O)CCC(=O)NCCO 527a_100000210304_100011309844 [0,2,0,0,0,0|1,0,0]=3 5260 B11R0.70 CNC(=O)CNC(=O)CCOC 11a_100000693194_100000749529 [0,2,0,0,0,0|2,0,0]=4 5261 B11R0.70 CNC(=O)CNC(=O)CCOC 240690a_100000693194_100000749529 [0,2,0,0,0,0|2,0,0]=4 5262 B11R0.70 CNC(=O)CNC(=O)CCOC 527a_100000693194_100000749529 [0,2,0,0,0,0|2,0,0]=4 5263 B11R0.70 CNC(=O)CNC(=O)CCSC 11a_100000693194_100000174002 [0,2,0,0,0,0|2,0,0]=4 5264 B11R0.70 CNC(=O)CNC(=O)CCSC 240690a_100000693194_100000174002 [0,2,0,0,0,0|2,0,0]=4 5265 B11R0.70 CNC(=O)CNC(=O)CCSC 527a_100000693194_100000174002 [0,2,0,0,0,0|2,0,0]=4 5266 B11R0.70 CNC(=O)CNC(=O)NCCF 273464a_100000693194_100000724931 [0,2,0,0,0,0|2,0,0]=4 5267 B11R0.70 CNC(=O)CNC(=O)NCCF 273464a_100000724931_100000693194 [0,2,0,0,0,0|2,0,0]=4 5268 B11R0.70 CNC(=O)CNC(=O)NCCO 273464a_100000210304_100000693194 [0,2,0,0,0,0|2,0,0]=4 5269 B11R0.70 CNC(=O)CNC(=O)NCCO 273464a_100000693194_100000210304 [0,2,0,0,0,0|2,0,0]=4 5270 B11R0.70 CNC(=O)NCC(=O)NCCF 2708a_100102657272_100000725713 [0,2,0,0,0,0|2,0,0]=4 5271 B11R0.70 CNC(=O)NCC(=O)NCCF 273464a_100000725713_100102657272 [0,2,0,0,0,0|2,0,0]=4 5272 B11R0.70 CNC(=O)NCC(=O)NCCF 273464a_100102657272_100000725713 [0,2,0,0,0,0|2,0,0]=4 5273 B11R0.70 CNC(=O)NCC(=O)NCCF 512a_106832991638_100000725713 [0,2,0,0,0,0|2,0,0]=4 5274 B11R0.70 COC(=O)CCC(=O)CCC#N 1458a_100000187943_100011215226 [0,2,0,0,0,0|1,0,1]=4 5275 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [0,2,0,0,0,0|1,0,0]=3 5276 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [0,2,0,0,0,0|1,0,0]=3 5277 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [0,2,0,0,0,0|1,0,0]=3 5278 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100000691467_100015361967 [0,2,0,0,0,0|1,1,0]=4 5279 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100015361967_100000691467 [0,2,0,0,0,0|1,1,0]=4 5280 B11R0.70 COC(=O)CCC(=O)NCC#N 1626a_100000734998_100000187943 [0,2,0,0,0,0|1,0,1]=4 5281 B11R0.70 COC(=O)CCC(=O)NCC#N 527a_100000734998_100000187943 [0,2,0,0,0,0|1,0,1]=4 5282 B11R0.70 COC(=O)CCC(=O)NCCF 11a_100000724931_100000187943 [0,2,0,0,0,0|1,0,0]=3 5283 B11R0.70 COC(=O)CCC(=O)NCCF 1626a_100000724931_100000187943 [0,2,0,0,0,0|1,0,0]=3 5284 B11R0.70 COC(=O)CCC(=O)NCCF 240690a_100000724931_100000187943 [0,2,0,0,0,0|1,0,0]=3 5285 B11R0.70 COC(=O)CCC(=O)NCCF 527a_100000724931_100000187943 [0,2,0,0,0,0|1,0,0]=3 5286 B11R0.70 COC(=O)CCC(=O)NCCO 240690a_100000210304_100000187943 [0,2,0,0,0,0|1,0,0]=3 5287 B11R0.70 COC(=O)CCC(=O)NCCO 527a_100000210304_100000187943 [0,2,0,0,0,0|1,0,0]=3 5288 B11R0.70 COC(=O)CNC(=O)CCSC 188690a_100000185156_100000174002 [0,2,0,0,0,0|2,0,0]=4 5289 B11R0.70 COC(=O)NCC(=O)CCCF 1458a_100000215747_100011934791 [0,2,0,0,0,0|2,0,0]=4 5290 B11R0.70 COC(=O)NCC(=O)CCCO 1458a_100000215747_100011215043 [0,2,0,0,0,0|2,0,0]=4 5291 B11R0.70 COC(=O)NCC(=O)CCSC 1458a_100000215747_100000751147 [0,2,0,0,0,0|2,0,0]=4 5292 B11R0.70 COC(=O)NCC(=O)NCCF 11a_100000724931_100000215747 [0,2,0,0,0,0|2,0,0]=4 5293 B11R0.70 COC(=O)NCC(=O)NCCF 1626a_100000724931_100000215747 [0,2,0,0,0,0|2,0,0]=4 5294 B11R0.70 COC(=O)NCC(=O)NCCF 240690a_100000724931_100000215747 [0,2,0,0,0,0|2,0,0]=4 5295 B11R0.70 COC(=O)NCC(=O)NCCF 527a_100000724931_100000215747 [0,2,0,0,0,0|2,0,0]=4 5296 B11R0.70 COC(=O)NCC(=O)NCCO 240690a_100000210304_100000215747 [0,2,0,0,0,0|2,0,0]=4 5297 B11R0.70 COC(=O)NCC(=O)NCCO 527a_100000210304_100000215747 [0,2,0,0,0,0|2,0,0]=4 5298 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [0,2,0,0,0,0|1,0,0]=3 5299 B11R0.70 COCCC(=O)CNC(=O)OC 1458a_100000215747_100000233755 [0,2,0,0,0,0|2,0,0]=4 5300 B11R0.70 COCCC(=O)NCC(=O)OC 188690a_100000185156_100000749529 [0,2,0,0,0,0|2,0,0]=4 5301 B11R0.70 O=C(CO)NCC(=O)NCCF 240690a_100000725713_100000210174 [0,2,0,0,0,0|2,0,0]=4 5302 B11R0.70 O=C(CO)NCC(=O)NCCF 527a_100000725713_100000210174 [0,2,0,0,0,0|2,0,0]=4 5303 B11R0.82 CCC#CC(=O)CCS(=O)(=O)C 1458a_100011827653_100000731031 [0,2,0,0,0,0|2,0,0]=4 5304 B11R0.82 CCC=CC(=O)CCS(=O)(=O)C 1458a_100000212282_100000731031 [0,2,0,0,0,0|2,0,0]=4 5305 B11R0.82 CCCCC(=O)CCS(=O)(=O)C 1458a_100000210183_100000731031 [0,2,0,0,0,0|2,0,0]=4 5306 B11R0.82 CCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210211 [0,2,0,0,0,0|2,0,0]=4 5307 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 11a_100020643023_100000737124 [0,2,0,0,0,0|2,0,0]=4 5308 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 1626a_100020643023_100000737124 [0,2,0,0,0,0|2,0,0]=4 5309 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 240690a_100020643023_100000737124 [0,2,0,0,0,0|2,0,0]=4 5310 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 527a_100020643023_100000737124 [0,2,0,0,0,0|2,0,0]=4 5311 B11R0.82 CCNCC(=O)CCS(=O)(=O)C 2230a_100015525214_100103131435 [0,2,0,0,0,0|2,0,0]=4 5312 B11R0.82 CCNNC(=O)CCS(=O)(=O)C 22a_100000756455_100000737124 [0,2,0,0,0,0|2,0,0]=4 5313 B11R0.82 CCOCC(=O)CCC(C)(C)C 1458a_100000211967_100000755188 [0,2,0,0,0,0|1,0,1]=4 5314 B11R0.82 CCOCC(=O)CCS(=O)(=O)C 1458a_100000211967_100000731031 [0,2,0,0,0,0|1,0,0]=3 5315 B11R0.82 CCOCC(=O)CCS(=O)(=O)C 34a_100121572206_100103131435 [0,2,0,0,0,0|1,0,0]=3 5316 B11R0.82 CCOCC(=O)CCS(=O)(=O)[O-] 1458a_100000211967_100000762736 [0,2,0,0,0,0|2,0,0]=4 5317 B11R0.82 CCOCC(=O)CC[N+](C)(C)C 1458a_100000211967_100000085578 [0,2,0,0,0,0|2,0,0]=4 5318 B11R0.82 CCOCC(=O)CC[Si](C)(C)C 1458a_100000211967_200000733723 [0,2,0,0,0,0|1,1,0]=4 5319 B11R0.82 CCSCC(=O)CCS(=O)(=O)C 1458a_100000230394_100000731031 [0,2,0,0,0,0|1,1,0]=4 5320 B11R0.82 CCSCC(=O)CCS(=O)(=O)C 62a_100000210202_100103131435 [0,2,0,0,0,0|1,1,0]=4 5321 B11R0.82 CCSCC(=O)CCS(=O)(=O)C 62a_100103131435_100000210202 [0,2,0,0,0,0|1,1,0]=4 5322 B11R0.82 COCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000233755 [0,2,0,0,0,0|2,0,0]=4 5323 B11R0.82 COCCC(=O)CCS(=O)(=O)C 1458a_100000749529_100000731031 [0,2,0,0,0,0|2,0,0]=4 5324 B11R0.82 CS(=O)(=O)CCC(=O)CCCF 1458a_100000737124_100011934791 [0,2,0,0,0,0|2,0,0]=4 5325 B11R0.82 CS(=O)(=O)CCC(=O)CCCO 1458a_100000737124_100011215043 [0,2,0,0,0,0|2,0,0]=4 5326 B11R0.82 CS(=O)(=O)CCC(=O)NCCF 11a_100000724931_100000737124 [0,2,0,0,0,0|2,0,0]=4 5327 B11R0.82 CS(=O)(=O)CCC(=O)NCCF 1626a_100000724931_100000737124 [0,2,0,0,0,0|2,0,0]=4 5328 B11R0.82 CS(=O)(=O)CCC(=O)NCCF 240690a_100000724931_100000737124 [0,2,0,0,0,0|2,0,0]=4 5329 B11R0.82 CS(=O)(=O)CCC(=O)NCCF 527a_100000724931_100000737124 [0,2,0,0,0,0|2,0,0]=4 5330 B11R0.82 CS(=O)(=O)CCC(=O)NCCO 240690a_100000210304_100000737124 [0,2,0,0,0,0|2,0,0]=4 5331 B11R0.82 CS(=O)(=O)CCC(=O)NCCO 527a_100000210304_100000737124 [0,2,0,0,0,0|2,0,0]=4 5332 B11R0.82 CSCCC(=O)CCS(=O)(=O)C 1458a_100000174002_100000731031 [0,2,0,0,0,0|2,0,0]=4 5333 B11R0.82 CSCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000751147 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.85 C=C(C)CCC(=O)C=CC(C)C 1458a_100016268746_100000730704 [0,2,0,0,0,0|2,0,0]=4 5335 B11R0.85 C=C(C)CCC(=O)CCC(=C)C 1458a_200000688413_100000730704 [0,2,0,0,0,0|2,0,0]=4 5336 B11R0.85 C=C(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000730704 [0,2,0,0,0,0|2,0,0]=4 5337 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_100000181311_100000730704 [0,2,0,0,0,0|2,0,0]=4 5338 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_200000688413_100000210312 [0,2,0,0,0,0|2,0,0]=4 5339 B11R0.85 C=C(C)CCC(=O)CCC(C)O 1458a_200000688413_100012276601 [0,2,0,0,0,0|2,0,0]=4 5340 B11R0.85 C=C(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000730704 [0,2,0,0,0,0|2,0,0]=4 5341 B11R0.85 C=C(C)CCC(=O)CNC(=O)C 1458a_100000194580_100000730704 [0,2,0,0,0,0|2,0,0]=4 5342 B11R0.85 C=C(C)CCC(=O)COC(=O)C 1458a_100000183556_100000730704 [0,2,0,0,0,0|1,0,1]=4 5343 B11R0.85 C=C(C)CCC(=O)COC(C)C 1458a_100000745533_100000730704 [0,2,0,0,0,0|1,0,0]=3 5344 B11R0.85 C=C(C)CCC(=O)COC(F)F 1458a_200000719455_100000730704 [0,2,0,0,0,0|2,0,0]=4 5345 B11R0.85 C=C(C)CCC(=O)CSC(=O)C 1458a_100000049016_100000730704 [0,2,0,0,0,0|2,0,0]=4 5346 B11R0.85 C=C(C)CCC(=O)CSC(C)C 1458a_100000241585_100000730704 [0,2,0,0,0,0|1,1,0]=4 5347 B11R0.85 C=C(C)CCC(=O)NCC(=C)C 11a_100000765925_200000688413 [0,2,0,0,0,0|2,0,0]=4 5348 B11R0.85 C=C(C)CCC(=O)NCC(=C)C 1626a_100000765925_200000688413 [0,2,0,0,0,0|2,0,0]=4 5349 B11R0.85 C=C(C)CCC(=O)NCC(=C)C 240690a_100000765925_200000688413 [0,2,0,0,0,0|2,0,0]=4 5350 B11R0.85 C=C(C)CCC(=O)NCC(=C)C 527a_100000765925_200000688413 [0,2,0,0,0,0|2,0,0]=4 5351 B11R0.85 C=C(C)CCC(=O)NCC(C)C 11a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 5352 B11R0.85 C=C(C)CCC(=O)NCC(C)C 1626a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 5353 B11R0.85 C=C(C)CCC(=O)NCC(C)C 240690a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 5354 B11R0.85 C=C(C)CCC(=O)NCC(C)C 527a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 5355 B11R0.85 C=C(C)CCC(=O)NCC(C)O 11a_100000210904_200000688413 [0,2,0,0,0,0|2,0,0]=4 5356 B11R0.85 C=C(C)CCC(=O)NCC(C)O 240690a_100000210904_200000688413 [0,2,0,0,0,0|2,0,0]=4 5357 B11R0.85 C=C(C)CCC(=O)NCC(C)O 527a_100000210904_200000688413 [0,2,0,0,0,0|2,0,0]=4 5358 B11R0.85 C=C(C)CCC(=O)NCC(F)F 11a_100000765723_200000688413 [0,2,0,0,0,0|2,0,0]=4 5359 B11R0.85 C=C(C)CCC(=O)NCC(F)F 1626a_100000765723_200000688413 [0,2,0,0,0,0|2,0,0]=4 5360 B11R0.85 C=C(C)CCC(=O)NCC(F)F 240690a_100000765723_200000688413 [0,2,0,0,0,0|2,0,0]=4 5361 B11R0.85 C=C(C)CCC(=O)NCC(F)F 527a_100000765723_200000688413 [0,2,0,0,0,0|2,0,0]=4 5362 B11R0.85 C=C(C)CCC(=O)NNC(C)C 22a_100000741168_200000688413 [0,2,0,0,0,0|2,0,0]=4 5363 B11R0.85 C=C(C)CNC(=O)CCC(=O)N 240690a_100000765925_100011215257 [0,2,0,0,0,0|2,0,0]=4 5364 B11R0.85 C=C(C)CNC(=O)CCC(=O)N 527a_100000765925_100011215257 [0,2,0,0,0,0|2,0,0]=4 5365 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 11a_100000765925_100000194580 [0,2,0,0,0,0|2,0,0]=4 5366 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 1626a_100000765925_100000194580 [0,2,0,0,0,0|2,0,0]=4 5367 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 240690a_100000765925_100000194580 [0,2,0,0,0,0|2,0,0]=4 5368 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 527a_100000765925_100000194580 [0,2,0,0,0,0|2,0,0]=4 5369 B11R0.85 C=C(C)CNC(=O)COC(=O)C 1626a_100000765925_100000183556 [0,2,0,0,0,0|2,0,0]=4 5370 B11R0.85 C=C(C)CNC(=O)COC(=O)C 240690a_100000765925_100000183556 [0,2,0,0,0,0|2,0,0]=4 5371 B11R0.85 C=C(C)CNC(=O)COC(=O)C 527a_100000765925_100000183556 [0,2,0,0,0,0|2,0,0]=4 5372 B11R0.85 C=C(C)CNC(=O)COC(C)C 11a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 5373 B11R0.85 C=C(C)CNC(=O)COC(C)C 1626a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 5374 B11R0.85 C=C(C)CNC(=O)COC(C)C 240690a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 5375 B11R0.85 C=C(C)CNC(=O)COC(C)C 527a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 5376 B11R0.85 C=C(C)CNC(=O)CSC(=O)C 11a_100000765925_100000049016 [0,2,0,0,0,0|2,0,0]=4 5377 B11R0.85 C=C(C)CNC(=O)CSC(=O)C 1626a_100000765925_100000049016 [0,2,0,0,0,0|2,0,0]=4 5378 B11R0.85 C=C(C)CNC(=O)CSC(=O)C 240690a_100000765925_100000049016 [0,2,0,0,0,0|2,0,0]=4 5379 B11R0.85 CC(=CCC(=O)COC(C)C)C 1458a_100000745533_100000761012 [0,2,0,0,0,0|1,0,1]=4 5380 B11R0.85 CC(=O)CCC(=O)NCC(=O)N 1458a_200011309861_200000210301 [0,2,0,0,0,0|1,0,1]=4 5381 B11R0.85 CC(=O)CNC(=O)CCC(C)C 1458a_100000205584_200000210301 [0,2,0,0,0,0|2,0,0]=4 5382 B11R0.85 CC(=O)CNC(=O)CNC(=O)C 1458a_100000195220_200000210301 [0,2,0,0,0,0|2,0,0]=4 5383 B11R0.85 CC(=O)NCC(=O)CCC(C)C 1458a_100000194580_100000210312 [0,2,0,0,0,0|2,0,0]=4 5384 B11R0.85 CC(=O)NCC(=O)CCC(C)O 1458a_100000194580_100012276601 [0,2,0,0,0,0|2,0,0]=4 5385 B11R0.85 CC(=O)NCC(=O)NCC(=O)[13CH3] 1458a_100000195220_200025704644 [0,2,0,0,0,0|2,0,0]=4 5386 B11R0.85 CC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 5387 B11R0.85 CC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 5388 B11R0.85 CC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 5389 B11R0.85 CC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 5390 B11R0.85 CC(=O)NCC(=O)NCC(C)O 11a_100000210904_100000194580 [0,2,0,0,0,0|2,0,0]=4 5391 B11R0.85 CC(=O)NCC(=O)NCC(C)O 240690a_100000210904_100000194580 [0,2,0,0,0,0|2,0,0]=4 5392 B11R0.85 CC(=O)NCC(=O)NCC(C)O 527a_100000210904_100000194580 [0,2,0,0,0,0|2,0,0]=4 5393 B11R0.85 CC(=O)NCC(=O)NCC(F)F 11a_100000765723_100000194580 [0,2,0,0,0,0|2,0,0]=4 5394 B11R0.85 CC(=O)NCC(=O)NCC(F)F 1626a_100000765723_100000194580 [0,2,0,0,0,0|2,0,0]=4 5395 B11R0.85 CC(=O)NCC(=O)NCC(F)F 240690a_100000765723_100000194580 [0,2,0,0,0,0|2,0,0]=4 5396 B11R0.85 CC(=O)NCC(=O)NCC(F)F 527a_100000765723_100000194580 [0,2,0,0,0,0|2,0,0]=4 5397 B11R0.85 CC(=O)NCC(=O)NNC(C)C 22a_100000741168_100000194580 [0,2,0,0,0,0|2,0,0]=4 5398 B11R0.85 CC(=O)NNC(=O)COC(C)C 22a_100000189765_100000745533 [0,2,0,0,0,0|2,0,0]=4 5399 B11R0.85 CC(=O)OCC(=O)CCC(C)C 1458a_100000183556_100000210312 [0,2,0,0,0,0|2,0,0]=4 5400 B11R0.85 CC(=O)OCC(=O)CCC(C)O 1458a_100000183556_100012276601 [0,2,0,0,0,0|2,0,0]=4 5401 B11R0.85 CC(=O)OCC(=O)CNC(C)C 34a_100138425928_100000036994 [0,2,0,0,0,0|2,0,0]=4 5402 B11R0.85 CC(=O)OCC(=O)COC(C)C 34a_100000212225_100000036994 [0,2,0,0,0,0|1,0,0]=3 5403 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000036994_100000210206 [0,2,0,0,0,0|1,1,0]=4 5404 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000210206_100000036994 [0,2,0,0,0,0|1,1,0]=4 5405 B11R0.85 CC(=O)OCC(=O)NCC(C)C 1626a_100000210953_100000183556 [0,2,0,0,0,0|2,0,0]=4 5406 B11R0.85 CC(=O)OCC(=O)NCC(C)C 240690a_100000210953_100000183556 [0,2,0,0,0,0|2,0,0]=4 5407 B11R0.85 CC(=O)OCC(=O)NCC(C)C 527a_100000210953_100000183556 [0,2,0,0,0,0|2,0,0]=4 5408 B11R0.85 CC(=O)OCC(=O)NCC(C)O 240690a_100000210904_100000183556 [0,2,0,0,0,0|2,0,0]=4 5409 B11R0.85 CC(=O)OCC(=O)NCC(C)O 527a_100000210904_100000183556 [0,2,0,0,0,0|2,0,0]=4 5410 B11R0.85 CC(=O)OCC(=O)NCC(F)F 1626a_100000765723_100000183556 [0,2,0,0,0,0|2,0,0]=4 5411 B11R0.85 CC(=O)OCC(=O)NCC(F)F 240690a_100000765723_100000183556 [0,2,0,0,0,0|2,0,0]=4 5412 B11R0.85 CC(=O)OCC(=O)NCC(F)F 527a_100000765723_100000183556 [0,2,0,0,0,0|2,0,0]=4 5413 B11R0.85 CC(=O)OCC(=O)NNC(C)C 22a_100000741168_100000183556 [0,2,0,0,0,0|2,0,0]=4 5414 B11R0.85 CC(=O)SCC(=O)CCC(C)C 1458a_100000049016_100000210312 [0,2,0,0,0,0|2,0,0]=4 5415 B11R0.85 CC(=O)SCC(=O)CCC(C)O 1458a_100000049016_100012276601 [0,2,0,0,0,0|2,0,0]=4 5416 B11R0.85 CC(=O)SCC(=O)NCC(C)C 11a_100000210953_100000049016 [0,2,0,0,0,0|2,0,0]=4 5417 B11R0.85 CC(=O)SCC(=O)NCC(C)C 1626a_100000210953_100000049016 [0,2,0,0,0,0|2,0,0]=4 5418 B11R0.85 CC(=O)SCC(=O)NCC(C)C 240690a_100000210953_100000049016 [0,2,0,0,0,0|2,0,0]=4 5419 B11R0.85 CC(=O)SCC(=O)NCC(C)O 11a_100000210904_100000049016 [0,2,0,0,0,0|2,0,0]=4 5420 B11R0.85 CC(=O)SCC(=O)NCC(C)O 240690a_100000210904_100000049016 [0,2,0,0,0,0|2,0,0]=4 5421 B11R0.85 CC(=O)SCC(=O)NCC(F)F 11a_100000765723_100000049016 [0,2,0,0,0,0|2,0,0]=4 5422 B11R0.85 CC(=O)SCC(=O)NCC(F)F 1626a_100000765723_100000049016 [0,2,0,0,0,0|2,0,0]=4 5423 B11R0.85 CC(=O)SCC(=O)NCC(F)F 240690a_100000765723_100000049016 [0,2,0,0,0,0|2,0,0]=4 5424 B11R0.85 CC(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000210312 [0,2,0,0,0,0|2,0,0]=4 5425 B11R0.85 CC(C)CCC(=O)COC(C)C 1458a_100000745533_100000210312 [0,2,0,0,0,0|1,0,1]=4 5426 B11R0.85 CC(C)CCC(=O)NCC(=O)[13CH3] 1458a_100000205584_200025704644 [0,2,0,0,0,0|2,0,0]=4 5427 B11R0.85 CC(C)CNC(=O)CCC(=O)N 240690a_100000210953_100011215257 [0,2,0,0,0,0|2,0,0]=4 5428 B11R0.85 CC(C)CNC(=O)CCC(=O)N 527a_100000210953_100011215257 [0,2,0,0,0,0|2,0,0]=4 5429 B11R0.85 CC(C)NNC(=O)CCC(=O)N 22a_100000741168_100011215257 [0,2,0,0,0,0|2,0,0]=4 5430 B11R0.85 CC(C)OCC(=O)NCC(=O)N 11a_100000711301_100000745533 [0,2,0,0,0,0|2,0,0]=4 5431 B11R0.85 CC(C)OCC(=O)NCC(=O)N 240690a_100000711301_100000745533 [0,2,0,0,0,0|2,0,0]=4 5432 B11R0.85 CC(C)OCC(=O)NCC(=O)N 527a_100000711301_100000745533 [0,2,0,0,0,0|2,0,0]=4 5433 B11R0.85 CC(O)CCC(=O)CCC(=O)N 1458a_100011215257_100012276601 [0,2,0,0,0,0|2,0,0]=4 5434 B11R0.85 CC(O)CCC(=O)COC(C)C 1458a_100000745533_100012276601 [0,2,0,0,0,0|0,0,2]=4 5435 B11R0.85 CC(O)CNC(=O)CCC(=O)N 240690a_100000210904_100011215257 [0,2,0,0,0,0|2,0,0]=4 5436 B11R0.85 CC(O)CNC(=O)CCC(=O)N 527a_100000210904_100011215257 [0,2,0,0,0,0|2,0,0]=4 5437 B11R0.85 NC(=O)CCC(=O)NCC(F)F 240690a_100000765723_100011215257 [0,2,0,0,0,0|2,0,0]=4 5438 B11R0.85 NC(=O)CCC(=O)NCC(F)F 527a_100000765723_100011215257 [0,2,0,0,0,0|2,0,0]=4 5439 B11R0.85 [13CH3]C(=O)CCC(=O)NCC(=O)N 1458a_200011309861_200025704644 [0,2,0,0,0,0|1,0,1]=4 5440 B11R0.93 C#CC(C)NC(=O)CCC(=C)C 11a_100000707721_200000688413 [0,2,0,0,0,0|2,0,0]=4 5441 B11R0.93 C#CC(C)NC(=O)CCC(=C)C 1626a_100000707721_200000688413 [0,2,0,0,0,0|2,0,0]=4 5442 B11R0.93 C#CC(C)NC(=O)CCC(=C)C 240690a_100000707721_200000688413 [0,2,0,0,0,0|2,0,0]=4 5443 B11R0.93 C#CC(C)NC(=O)CCC(=C)C 527a_100000707721_200000688413 [0,2,0,0,0,0|2,0,0]=4 5444 B11R0.93 C#CC(C)NC(=O)CCC(=O)N 240690a_100000707721_100011215257 [0,2,0,0,0,0|2,0,0]=4 5445 B11R0.93 C#CC(C)NC(=O)CCC(=O)N 527a_100000707721_100011215257 [0,2,0,0,0,0|2,0,0]=4 5446 B11R0.93 C#CC(C)NC(=O)CNC(=O)C 11a_100000707721_100000194580 [0,2,0,0,0,0|2,0,0]=4 5447 B11R0.93 C#CC(C)NC(=O)CNC(=O)C 1626a_100000707721_100000194580 [0,2,0,0,0,0|2,0,0]=4 5448 B11R0.93 C#CC(C)NC(=O)CNC(=O)C 240690a_100000707721_100000194580 [0,2,0,0,0,0|2,0,0]=4 5449 B11R0.93 C#CC(C)NC(=O)CNC(=O)C 527a_100000707721_100000194580 [0,2,0,0,0,0|2,0,0]=4 5450 B11R0.93 C#CC(C)NC(=O)COC(=O)C 1626a_100000707721_100000183556 [0,2,0,0,0,0|2,0,0]=4 5451 B11R0.93 C#CC(C)NC(=O)COC(=O)C 240690a_100000707721_100000183556 [0,2,0,0,0,0|2,0,0]=4 5452 B11R0.93 C#CC(C)NC(=O)COC(=O)C 527a_100000707721_100000183556 [0,2,0,0,0,0|2,0,0]=4 5453 B11R0.93 C#CC(C)NC(=O)CSC(=O)C 11a_100000707721_100000049016 [0,2,0,0,0,0|2,0,0]=4 5454 B11R0.93 C#CC(C)NC(=O)CSC(=O)C 1626a_100000707721_100000049016 [0,2,0,0,0,0|2,0,0]=4 5455 B11R0.93 C#CC(C)NC(=O)CSC(=O)C 240690a_100000707721_100000049016 [0,2,0,0,0,0|2,0,0]=4 5456 B11R0.93 C=C(C)CCC(=O)C=C(C)CC 1458a_100020758463_100000730704 [0,2,0,0,0,0|2,0,0]=4 5457 B11R0.93 C=C(C)CCC(=O)CC(=O)CC 1458a_200000688413_100000747405 [0,2,0,0,0,0|2,0,0]=4 5458 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_100000708755_100000730704 [0,2,0,0,0,0|2,0,0]=4 5459 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_200000688413_100000748023 [0,2,0,0,0,0|2,0,0]=4 5460 B11R0.93 C=C(C)CCC(=O)CC(O)CC 1458a_100011667805_100000730704 [0,2,0,0,0,0|2,0,0]=4 5461 B11R0.93 C=C(C)CCC(=O)CC(O)CC 1458a_200000688413_100011218378 [0,2,0,0,0,0|2,0,0]=4 5462 B11R0.93 C=C(C)CCC(=O)CN(C)CC 1458a_100116209913_100000730704 [0,2,0,0,0,0|2,0,0]=4 5463 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CC 1458a_200000688413_100009816398 [0,2,0,0,0,0|2,0,0]=4 5464 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CO 1458a_200000688413_100000059175 [0,2,0,0,0,0|2,0,0]=4 5465 B11R0.93 C=C(C)CCC(=O)NC(C)C#N 11a_100000737613_200000688413 [0,2,0,0,0,0|2,0,0]=4 5466 B11R0.93 C=C(C)CCC(=O)NC(C)C#N 1626a_100000737613_200000688413 [0,2,0,0,0,0|2,0,0]=4 5467 B11R0.93 C=C(C)CCC(=O)NC(C)C#N 527a_100000737613_200000688413 [0,2,0,0,0,0|2,0,0]=4 5468 B11R0.93 C=C(C)CCC(=O)NC(C)CC 11a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 5469 B11R0.93 C=C(C)CCC(=O)NC(C)CC 1626a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 5470 B11R0.93 C=C(C)CCC(=O)NC(C)CC 240690a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 5471 B11R0.93 C=C(C)CCC(=O)NC(C)CC 527a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 5472 B11R0.93 C=C(C)CCC(=O)N[C@H](C)CF 11a_100102880703_200000688413 [0,2,0,0,0,0|2,0,0]=4 5473 B11R0.93 C=C(C)CCC(=O)N[C@H](C)CF 1626a_100102880703_200000688413 [0,2,0,0,0,0|2,0,0]=4 5474 B11R0.93 C=C(C)CCC(=O)N[C@H](C)CF 240690a_100102880703_200000688413 [0,2,0,0,0,0|2,0,0]=4 5475 B11R0.93 C=C(C)CCC(=O)N[C@H](C)CF 527a_100102880703_200000688413 [0,2,0,0,0,0|2,0,0]=4 5476 B11R0.93 C=C(C)CCC(=O)N[C@H](C)CO 240690a_100000737577_200000688413 [0,2,0,0,0,0|2,0,0]=4 5477 B11R0.93 C=C(C)CCC(=O)N[C@H](C)CO 527a_100000737577_200000688413 [0,2,0,0,0,0|2,0,0]=4 5478 B11R0.93 C=CC(C)CC(=O)CCC(=C)C 1458a_100011934298_100000730704 [0,2,0,0,0,0|2,0,0]=4 5479 B11R0.93 CC(=O)NCC(=O)C[C@@H](C)CO 1458a_100000194580_100000059175 [0,2,0,0,0,0|2,0,0]=4 5480 B11R0.93 CC(=O)NCC(=O)NC(C)C#N 11a_100000737613_100000194580 [0,2,0,0,0,0|2,0,0]=4 5481 B11R0.93 CC(=O)NCC(=O)NC(C)C#N 1626a_100000737613_100000194580 [0,2,0,0,0,0|2,0,0]=4 5482 B11R0.93 CC(=O)NCC(=O)NC(C)C#N 527a_100000737613_100000194580 [0,2,0,0,0,0|2,0,0]=4 5483 B11R0.93 CC(=O)NCC(=O)N[C@H](C)CF 11a_100102880703_100000194580 [0,2,0,0,0,0|2,0,0]=4 5484 B11R0.93 CC(=O)NCC(=O)N[C@H](C)CF 1626a_100102880703_100000194580 [0,2,0,0,0,0|2,0,0]=4 5485 B11R0.93 CC(=O)NCC(=O)N[C@H](C)CF 240690a_100102880703_100000194580 [0,2,0,0,0,0|2,0,0]=4 5486 B11R0.93 CC(=O)NCC(=O)N[C@H](C)CF 527a_100102880703_100000194580 [0,2,0,0,0,0|2,0,0]=4 5487 B11R0.93 CC(=O)NCC(=O)N[C@H](C)CO 240690a_100000737577_100000194580 [0,2,0,0,0,0|2,0,0]=4 5488 B11R0.93 CC(=O)NCC(=O)N[C@H](C)CO 527a_100000737577_100000194580 [0,2,0,0,0,0|2,0,0]=4 5489 B11R0.93 CC(=O)OCC(=O)C[C@@H](C)CO 1458a_100000183556_100000059175 [0,2,0,0,0,0|2,0,0]=4 5490 B11R0.93 CC(=O)OCC(=O)NC(C)C#N 1626a_100000737613_100000183556 [0,2,0,0,0,0|2,0,0]=4 5491 B11R0.93 CC(=O)OCC(=O)NC(C)C#N 527a_100000737613_100000183556 [0,2,0,0,0,0|2,0,0]=4 5492 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CF 1626a_100102880703_100000183556 [0,2,0,0,0,0|2,0,0]=4 5493 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CF 240690a_100102880703_100000183556 [0,2,0,0,0,0|2,0,0]=4 5494 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CF 527a_100102880703_100000183556 [0,2,0,0,0,0|2,0,0]=4 5495 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CO 240690a_100000737577_100000183556 [0,2,0,0,0,0|2,0,0]=4 5496 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CO 527a_100000737577_100000183556 [0,2,0,0,0,0|2,0,0]=4 5497 B11R0.93 CC(=O)SCC(=O)C[C@@H](C)CO 1458a_100000049016_100000059175 [0,2,0,0,0,0|2,0,0]=4 5498 B11R0.93 CC(=O)SCC(=O)NC(C)C#N 11a_100000737613_100000049016 [0,2,0,0,0,0|2,0,0]=4 5499 B11R0.93 CC(=O)SCC(=O)NC(C)C#N 1626a_100000737613_100000049016 [0,2,0,0,0,0|2,0,0]=4 5500 B11R0.93 CC(=O)SCC(=O)N[C@H](C)CF 11a_100102880703_100000049016 [0,2,0,0,0,0|2,0,0]=4 5501 B11R0.93 CC(=O)SCC(=O)N[C@H](C)CF 1626a_100102880703_100000049016 [0,2,0,0,0,0|2,0,0]=4 5502 B11R0.93 CC(=O)SCC(=O)N[C@H](C)CF 240690a_100102880703_100000049016 [0,2,0,0,0,0|2,0,0]=4 5503 B11R0.93 CC(=O)SCC(=O)N[C@H](C)CO 240690a_100000737577_100000049016 [0,2,0,0,0,0|2,0,0]=4 5504 B11R0.93 CC(C#N)NC(=O)CCC(=O)N 527a_100000737613_100011215257 [0,2,0,0,0,0|2,0,0]=4 5505 B11R0.93 CCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747405 [0,2,0,0,0,0|2,0,0]=4 5506 B11R0.93 CCC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747405 [0,2,0,0,0,0|2,0,0]=4 5507 B11R0.93 CCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747405 [0,2,0,0,0,0|2,0,0]=4 5508 B11R0.93 CCC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747405 [0,2,0,0,0,0|2,0,0]=4 5509 B11R0.93 CCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748023 [0,2,0,0,0,0|2,0,0]=4 5510 B11R0.93 CCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748023 [0,2,0,0,0,0|2,0,0]=4 5511 B11R0.93 CCC(C)CC(=O)COC(=O)C 1458a_100000183556_100000748023 [0,2,0,0,0,0|2,0,0]=4 5512 B11R0.93 CCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748023 [0,2,0,0,0,0|2,0,0]=4 5513 B11R0.93 CCC(C)NC(=O)CCC(=O)N 240690a_100000209981_100011215257 [0,2,0,0,0,0|2,0,0]=4 5514 B11R0.93 CCC(C)NC(=O)CCC(=O)N 527a_100000209981_100011215257 [0,2,0,0,0,0|2,0,0]=4 5515 B11R0.93 CCC(C)NC(=O)CNC(=O)C 11a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 5516 B11R0.93 CCC(C)NC(=O)CNC(=O)C 1626a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 5517 B11R0.93 CCC(C)NC(=O)CNC(=O)C 240690a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 5518 B11R0.93 CCC(C)NC(=O)CNC(=O)C 527a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 5519 B11R0.93 CCC(C)NC(=O)COC(=O)C 1626a_100000209981_100000183556 [0,2,0,0,0,0|2,0,0]=4 5520 B11R0.93 CCC(C)NC(=O)COC(=O)C 240690a_100000209981_100000183556 [0,2,0,0,0,0|2,0,0]=4 5521 B11R0.93 CCC(C)NC(=O)COC(=O)C 527a_100000209981_100000183556 [0,2,0,0,0,0|2,0,0]=4 5522 B11R0.93 CCC(C)NC(=O)CSC(=O)C 11a_100000209981_100000049016 [0,2,0,0,0,0|2,0,0]=4 5523 B11R0.93 CCC(C)NC(=O)CSC(=O)C 1626a_100000209981_100000049016 [0,2,0,0,0,0|2,0,0]=4 5524 B11R0.93 CCC(C)NC(=O)CSC(=O)C 240690a_100000209981_100000049016 [0,2,0,0,0,0|2,0,0]=4 5525 B11R0.93 CCC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218378 [0,2,0,0,0,0|2,0,0]=4 5526 B11R0.93 CCC(O)CC(=O)CNC(=O)C 1458a_100000194580_100011218378 [0,2,0,0,0,0|2,0,0]=4 5527 B11R0.93 CCC(O)CC(=O)COC(=O)C 1458a_100000183556_100011218378 [0,2,0,0,0,0|2,0,0]=4 5528 B11R0.93 CCC(O)CC(=O)CSC(=O)C 1458a_100000049016_100011218378 [0,2,0,0,0,0|2,0,0]=4 5529 B11R0.93 CCN(C)CC(=O)COC(=O)C 269982a_100000225621_100000036994 [0,2,0,0,0,0|2,0,0]=4 5530 B11R0.93 CC[C@H](C)CC(=O)CCC(=O)N 1458a_100011215257_100009816398 [0,2,0,0,0,0|2,0,0]=4 5531 B11R0.93 CC[C@H](C)CC(=O)CNC(=O)C 1458a_100000194580_100009816398 [0,2,0,0,0,0|2,0,0]=4 5532 B11R0.93 CC[C@H](C)CC(=O)COC(=O)C 1458a_100000183556_100009816398 [0,2,0,0,0,0|2,0,0]=4 5533 B11R0.93 CC[C@H](C)CC(=O)CSC(=O)C 1458a_100000049016_100009816398 [0,2,0,0,0,0|2,0,0]=4 5534 B11R0.93 C[C@@H](CO)CC(=O)CCC(=O)N 1458a_100011215257_100000059175 [0,2,0,0,0,0|2,0,0]=4 5535 B11R0.93 C[C@H](CF)NC(=O)CCC(=O)N 240690a_100102880703_100011215257 [0,2,0,0,0,0|2,0,0]=4 5536 B11R0.93 C[C@H](CF)NC(=O)CCC(=O)N 527a_100102880703_100011215257 [0,2,0,0,0,0|2,0,0]=4 5537 B11R0.93 C[C@H](CO)NC(=O)CCC(=O)N 240690a_100000737577_100011215257 [0,2,0,0,0,0|2,0,0]=4 5538 B11R0.93 C[C@H](CO)NC(=O)CCC(=O)N 527a_100000737577_100011215257 [0,2,0,0,0,0|2,0,0]=4 5539 B11R0.34 C=C(C)CCC(=O)CC(C)(C)C 1458a_100000211214_100000730704 [0,2,0,0,0,0|2,0,0]=4 5540 B11R0.34 C=C(C)CCC(=O)CC(C)(C)O 1458a_100000693243_100000730704 [0,2,0,0,0,0|2,0,0]=4 5541 B11R0.34 C=C(C)CCC(=O)NC(C)(C)C 11a_100000715429_200000688413 [0,2,0,0,0,0|2,0,0]=4 5542 B11R0.34 C=C(C)CCC(=O)NC(C)(C)C 1626a_100000715429_200000688413 [0,2,0,0,0,0|2,0,0]=4 5543 B11R0.34 C=C(C)CCC(=O)NC(C)(C)C 240690a_100000715429_200000688413 [0,2,0,0,0,0|2,0,0]=4 5544 B11R0.34 C=C(C)CCC(=O)NC(C)(C)C 527a_100000715429_200000688413 [0,2,0,0,0,0|2,0,0]=4 5545 B11R0.34 CC(=O)CCC(=O)NC(C)(C)C 1458a_100000186398_200000210301 [0,2,0,0,0,0|1,0,0]=3 5546 B11R0.34 CC(=O)CCC(=O)OC(C)(C)C 1458a_100000691576_200000210301 [0,2,0,0,0,0|0,0,0]=2 5547 B11R0.34 CC(=O)CNC(=O)CC(C)(C)C 1458a_100000744057_200000210301 [0,2,0,0,0,0|2,0,0]=4 5548 B11R0.34 CC(=O)CNC(=O)OC(C)(C)C 1458a_100000184747_200000210301 [0,2,0,0,0,0|1,0,0]=3 5549 B11R0.34 CC(=O)COC(=O)CC(C)(C)C 1458a_100000070787_200010999194 [0,2,0,0,0,0|2,0,0]=4 5550 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 11a_100000174917_100015343762 [0,2,0,0,0,0|2,0,0]=4 5551 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 11a_100000715429_100000194580 [0,2,0,0,0,0|2,0,0]=4 5552 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 1626a_100000174917_100015343762 [0,2,0,0,0,0|2,0,0]=4 5553 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 1626a_100000715429_100000194580 [0,2,0,0,0,0|2,0,0]=4 5554 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 240690a_100000174917_100015343762 [0,2,0,0,0,0|2,0,0]=4 5555 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 240690a_100000715429_100000194580 [0,2,0,0,0,0|2,0,0]=4 5556 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 527a_100000174917_100103153847 [0,2,0,0,0,0|2,0,0]=4 5557 B11R0.34 CC(=O)NCC(=O)NC(C)(C)C 527a_100000715429_100000194580 [0,2,0,0,0,0|2,0,0]=4 5558 B11R0.34 CC(=O)NCC(=O)OC(C)(C)C 188690a_100000756590_100015343762 [0,2,0,0,0,0|1,0,0]=3 5559 B11R0.34 CC(=O)OCC(=O)NC(C)(C)C 1626a_100000715429_100000183556 [0,2,0,0,0,0|2,0,0]=4 5560 B11R0.34 CC(=O)OCC(=O)NC(C)(C)C 240690a_100000715429_100000183556 [0,2,0,0,0,0|2,0,0]=4 5561 B11R0.34 CC(=O)OCC(=O)NC(C)(C)C 527a_100000715429_100000183556 [0,2,0,0,0,0|2,0,0]=4 5562 B11R0.34 CC(=O)SCC(=O)NC(C)(C)C 11a_100000715429_100000049016 [0,2,0,0,0,0|2,0,0]=4 5563 B11R0.34 CC(=O)SCC(=O)NC(C)(C)C 1626a_100000715429_100000049016 [0,2,0,0,0,0|2,0,0]=4 5564 B11R0.34 CC(=O)SCC(=O)NC(C)(C)C 240690a_100000715429_100000049016 [0,2,0,0,0,0|2,0,0]=4 5565 B11R0.34 CC(C)(C)CC(=O)NCC(=O)[13CH3] 1458a_100000744057_200025704644 [0,2,0,0,0,0|2,0,0]=4 5566 B11R0.34 CC(C)(C)NC(=O)CCC(=O)N 240690a_100000715429_100011215257 [0,2,0,0,0,0|2,0,0]=4 5567 B11R0.34 CC(C)(C)NC(=O)CCC(=O)N 527a_100000715429_100011215257 [0,2,0,0,0,0|2,0,0]=4 5568 B11R0.34 CC(C)(C)NC(=O)CCC(=O)[13CH3] 1458a_100000186398_200025704644 [0,2,0,0,0,0|1,0,0]=3 5569 B11R0.34 CC(C)(C)OC(=O)CCC(=O)[13CH3] 1458a_100000691576_200025704644 [0,2,0,0,0,0|0,0,0]=2 5570 B11R0.34 CC(C)(C)OC(=O)NCC(=O)[13CH3] 1458a_100000184747_200025704644 [0,2,0,0,0,0|1,0,0]=3 5571 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 2230a_100000687418_200000210301 [0,2,0,0,0,0|2,0,0]=4 5572 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 2230a_100102631434_100009816755 [0,2,0,0,0,0|2,0,0]=4 5573 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 269982a_100000687418_200000210301 [0,2,0,0,0,0|2,0,0]=4 5574 B11R0.34 CN([13CH3])CCC(=O)OC(C)(C)C 2230a_100000687418_200025704644 [0,2,0,0,0,0|2,0,0]=4 5575 B11R0.34 CN([13CH3])CCC(=O)OC(C)(C)C 269982a_100000687418_200025704644 [0,2,0,0,0,0|2,0,0]=4 5576 B11R0.107 C#CC(=O)CCC(=O)NC(C)C 1458a_100000211873_100000737564 [0,2,0,0,0,0|1,0,1]=4 5577 B11R0.107 C#CC(=O)CCC(=O)OC(C)C 1458a_100000211873_100000760027 [0,2,0,0,0,0|0,0,1]=3 5578 B11R0.107 C#CC(=O)COC(=O)OC(C)C 1458a_100000211873_100000003507 [0,2,0,0,0,0|1,0,1]=4 5579 B11R0.107 C=C(C)CC(=O)CCC(=O)NC 1458a_100011309844_100000748629 [0,2,0,0,0,0|1,0,1]=4 5580 B11R0.107 C=C(C)CC(=O)CCC(=O)OC 1458a_100000187943_100000748629 [0,2,0,0,0,0|1,0,1]=4 5581 B11R0.107 C=CC(=O)CCC(=O)NC(C)C 1458a_100000185746_100000737564 [0,2,0,0,0,0|1,0,1]=4 5582 B11R0.107 C=CC(=O)CCC(=O)OC(C)C 1458a_100000185746_100000760027 [0,2,0,0,0,0|0,0,1]=3 5583 B11R0.107 C=CC(=O)COC(=O)OC(C)C 1458a_100000185746_100000003507 [0,2,0,0,0,0|1,0,1]=4 5584 B11R0.107 CC(C)CC(=O)NCC(=O)CF 1458a_100000194594_100015361967 [0,2,0,0,0,0|2,0,0]=4 5585 B11R0.107 CC(C)NC(=O)CCC(=O)CO 1458a_100000210174_100000737564 [0,2,0,0,0,0|1,0,0]=3 5586 B11R0.107 CC(C)NC(=O)CNC(=O)CO 240690a_100000168517_100000210174 [0,2,0,0,0,0|2,0,0]=4 5587 B11R0.107 CC(C)NC(=O)CNC(=O)CO 527a_100000168517_100000210174 [0,2,0,0,0,0|2,0,0]=4 5588 B11R0.107 CC(C)OC(=O)CCC(=O)CO 1458a_100000210174_100000760027 [0,2,0,0,0,0|0,0,0]=2 5589 B11R0.107 CC(C)OC(=O)OCC(=O)CO 1458a_100000210174_100000003507 [0,2,0,0,0,0|1,0,0]=3 5590 B11R0.107 CCC(=O)CCC(=O)NC(C)C 1458a_100000210414_100000737564 [0,2,0,0,0,0|1,0,0]=3 5591 B11R0.107 CCC(=O)CCC(=O)NN(C)C 1458a_100011219620_100000210202 [0,2,0,0,0,0|2,0,0]=4 5592 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,2,0,0,0,0|0,0,0]=2 5593 B11R0.107 CCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210202 [0,2,0,0,0,0|2,0,0]=4 5594 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [0,2,0,0,0,0|1,0,0]=3 5595 B11R0.107 CCC(=O)NCC(=O)CC(C)C 1458a_100000194589_100000210624 [0,2,0,0,0,0|2,0,0]=4 5596 B11R0.107 CCC(=O)NCC(=O)CC(C)O 1458a_100000194589_100011218427 [0,2,0,0,0,0|2,0,0]=4 5597 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 5598 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 5599 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 5600 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 5601 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 5602 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 5603 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 5604 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 5605 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [0,2,0,0,0,0|2,0,0]=4 5606 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [0,2,0,0,0,0|2,0,0]=4 5607 B11R0.107 CCS(=O)CCC(=O)CC(C)C 1458a_100011387550_100000210624 [0,2,0,0,0,0|2,0,0]=4 5608 B11R0.107 CCS(=O)CCC(=O)CC(C)O 1458a_100011387550_100011218427 [0,2,0,0,0,0|2,0,0]=4 5609 B11R0.107 CCS(=O)CCC(=O)NC(C)C 11a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 5610 B11R0.107 CCS(=O)CCC(=O)NC(C)C 1626a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 5611 B11R0.107 CCS(=O)CCC(=O)NC(C)C 240690a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 5612 B11R0.107 CCS(=O)CCC(=O)NC(C)C 527a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 5613 B11R0.107 CN(C)NC(=O)CCC(=O)CF 1458a_100011219620_100015361967 [0,2,0,0,0,0|2,0,0]=4 5614 B11R0.107 CNC(=O)C=CC(=O)OC(C)C 1626a_100102657272_200016297642 [0,2,0,0,0,0|0,0,2]=4 5615 B11R0.107 CNC(=O)CCC(=O)CC(C)C 1458a_100011309844_100000210624 [0,2,0,0,0,0|1,0,0]=3 5616 B11R0.107 CNC(=O)CCC(=O)CC(C)O 1458a_100011309844_100011218427 [0,2,0,0,0,0|1,0,0]=3 5617 B11R0.107 CNC(=O)CCC(=O)CC(F)F 1458a_100011309844_100011934356 [0,2,0,0,0,0|2,0,0]=4 5618 B11R0.107 CNC(=O)CCC(=O)NC(C)C 11a_100138425928_100011309844 [0,2,0,0,0,0|1,0,0]=3 5619 B11R0.107 CNC(=O)CCC(=O)NC(C)C 1626a_100138425928_100011309844 [0,2,0,0,0,0|1,0,0]=3 5620 B11R0.107 CNC(=O)CCC(=O)NC(C)C 240690a_100138425928_100011309844 [0,2,0,0,0,0|1,0,0]=3 5621 B11R0.107 CNC(=O)CCC(=O)NC(C)C 527a_100138425928_100011309844 [0,2,0,0,0,0|1,0,0]=3 5622 B11R0.107 CNC(=O)CCC(=O)NN(C)C 240690a_100102657272_100011219620 [0,2,0,0,0,0|2,0,0]=4 5623 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_100000693194_100000210554 [0,2,0,0,0,0|2,0,0]=4 5624 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_106832991635_100000194594 [0,2,0,0,0,0|2,0,0]=4 5625 B11R0.107 CNC(=O)CNC(=O)CC(C)C 1626a_100102657272_100000194594 [0,2,0,0,0,0|2,0,0]=4 5626 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100000693194_100000210554 [0,2,0,0,0,0|2,0,0]=4 5627 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100102657272_100000194594 [0,2,0,0,0,0|2,0,0]=4 5628 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100000693194_100000210554 [0,2,0,0,0,0|2,0,0]=4 5629 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100102657272_100000194594 [0,2,0,0,0,0|2,0,0]=4 5630 B11R0.107 CNC(=O)CNC(=O)C[C@@H](C)O 240690a_100000693194_100011933948 [0,2,0,0,0,0|2,0,0]=4 5631 B11R0.107 CNC(=O)CNC(=O)NC(C)C 2708a_100138425928_100000693194 [0,2,0,0,0,0|2,0,0]=4 5632 B11R0.107 CNC(=O)CNC(=O)NC(C)C 273464a_100138425928_100000693194 [0,2,0,0,0,0|2,0,0]=4 5633 B11R0.107 CNC(=O)CNC(=O)NC(C)C 512a_100138425928_100000693194 [0,2,0,0,0,0|2,0,0]=4 5634 B11R0.107 CNC(=O)NCC(=O)NC(C)C 2708a_100000168517_106832991635 [0,2,0,0,0,0|2,0,0]=4 5635 B11R0.107 CNC(=O)NCC(=O)NC(C)C 2708a_100102657272_100000168517 [0,2,0,0,0,0|2,0,0]=4 5636 B11R0.107 CNC(=O)NCC(=O)NC(C)C 273464a_100000168517_100102657272 [0,2,0,0,0,0|2,0,0]=4 5637 B11R0.107 CNC(=O)NCC(=O)NC(C)C 273464a_100102657272_100000168517 [0,2,0,0,0,0|2,0,0]=4 5638 B11R0.107 CNC(=O)NCC(=O)NC(C)C 512a_100000168517_100102657272 [0,2,0,0,0,0|2,0,0]=4 5639 B11R0.107 CNC(=O)NCC(=O)NC(C)C 512a_106832991638_100000168517 [0,2,0,0,0,0|2,0,0]=4 5640 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [0,2,0,0,0,0|1,0,1]=4 5641 B11R0.107 COC(=O)CCC(=O)CC(C)C 1458a_100000187943_100000210624 [0,2,0,0,0,0|1,0,0]=3 5642 B11R0.107 COC(=O)CCC(=O)CC(C)O 1458a_100000187943_100011218427 [0,2,0,0,0,0|1,0,0]=3 5643 B11R0.107 COC(=O)CCC(=O)CC(F)F 1458a_100000187943_100011934356 [0,2,0,0,0,0|2,0,0]=4 5644 B11R0.107 COC(=O)CCC(=O)CN(C)C 2230a_100102631434_100000691467 [0,2,0,0,0,0|2,0,0]=4 5645 B11R0.107 COC(=O)CCC(=O)CN(C)C 269982a_100102631434_100000691467 [0,2,0,0,0,0|2,0,0]=4 5646 B11R0.107 COC(=O)CCC(=O)NC(C)C 11a_100138425928_100000187943 [0,2,0,0,0,0|1,0,0]=3 5647 B11R0.107 COC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000187943 [0,2,0,0,0,0|1,0,0]=3 5648 B11R0.107 COC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000187943 [0,2,0,0,0,0|1,0,0]=3 5649 B11R0.107 COC(=O)CCC(=O)NC(C)C 527a_100138425928_100000187943 [0,2,0,0,0,0|1,0,0]=3 5650 B11R0.107 COC(=O)CNC(=O)CC(C)C 188690a_100000185156_100000210554 [0,2,0,0,0,0|2,0,0]=4 5651 B11R0.107 COC(=O)CNC(=O)C[C@@H](C)O 188690a_100000185156_100011933948 [0,2,0,0,0,0|2,0,0]=4 5652 B11R0.107 COC(=O)NCC(=O)CC(C)C 1458a_100000215747_100000210624 [0,2,0,0,0,0|2,0,0]=4 5653 B11R0.107 COC(=O)NCC(=O)CC(C)O 1458a_100000215747_100011218427 [0,2,0,0,0,0|2,0,0]=4 5654 B11R0.107 COC(=O)NCC(=O)NC(C)C 11a_100138425928_100000215747 [0,2,0,0,0,0|2,0,0]=4 5655 B11R0.107 COC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000215747 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.107 COC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000215747 [0,2,0,0,0,0|2,0,0]=4 5657 B11R0.107 COC(=O)NCC(=O)NC(C)C 527a_100138425928_100000215747 [0,2,0,0,0,0|2,0,0]=4 5658 B11R0.337 CC(C)CC(=O)CCS(=O)(=O)C 1458a_100000210554_100000731031 [0,2,0,0,0,0|2,0,0]=4 5659 B11R0.337 CC(C)CC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210624 [0,2,0,0,0,0|2,0,0]=4 5660 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 11a_100138425928_100000737124 [0,2,0,0,0,0|2,0,0]=4 5661 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 1626a_100138425928_100000737124 [0,2,0,0,0,0|2,0,0]=4 5662 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 240690a_100138425928_100000737124 [0,2,0,0,0,0|2,0,0]=4 5663 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 527a_100138425928_100000737124 [0,2,0,0,0,0|2,0,0]=4 5664 B11R0.337 CC(O)CC(=O)CCS(=O)(=O)C 1458a_100000737124_100011218427 [0,2,0,0,0,0|2,0,0]=4 5665 B11R0.337 C[C@@H](O)CC(=O)CCS(=O)(=O)C 1458a_100011933948_100000731031 [0,2,0,0,0,0|2,0,0]=4 5666 B11R0.100 CCNS(=O)(=O)CCC(=O)OC 270084a_100015525214_100000205946 [0,2,0,0,0,0|2,0,0]=4 5667 B11R0.100 CCNS(=O)(=O)CCC(=O)OC 274078a_100015525214_100000205946 [0,2,0,0,0,0|2,0,0]=4 5668 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_100000724800_100011206558 [0,2,0,0,0,0|2,0,0]=4 5669 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_200011277716_100000210202 [0,2,0,0,0,0|2,0,0]=4 5670 B11R0.9 CCOC(=O)CCN(CC)CC 269956a_100000042499_100000765890 [0,2,0,0,0,0|2,0,0]=4 5671 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_100000724800_100011206558 [0,2,0,0,0,0|2,0,0]=4 5672 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_200011277716_100000204670 [0,2,0,0,0,0|2,0,0]=4 5673 B11R0.9 CCOC(=O)CCN(CC)CF 269982a_200011277716_100015361967 [0,2,0,0,0,0|2,0,0]=4 5674 B11R0.62 C#CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000184674 [0,2,0,0,0,0|0,0,2]=4 5675 B11R0.62 C#CCC(=O)CCC(=O)NCC 1458a_100000199579_100000184674 [0,2,0,0,0,0|1,0,0]=3 5676 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,2,0,0,0,0|0,0,0]=2 5677 B11R0.62 C#CCC(=O)CNC(=O)OCC 1458a_100000190774_100000184674 [0,2,0,0,0,0|1,0,0]=3 5678 B11R0.62 C#CCC(=O)COC(=O)CCC 1458a_100011220946_100000034017 [0,2,0,0,0,0|2,0,0]=4 5679 B11R0.62 C#CCC(=O)NCC(=O)NCC 1626a_100016988866_100011220946 [0,2,0,0,0,0|2,0,0]=4 5680 B11R0.62 C#CCC(=O)NCC(=O)NCC 527a_100016988866_100011220946 [0,2,0,0,0,0|2,0,0]=4 5681 B11R0.62 C#CCC(=O)NCC(=O)OCC 188690a_100000741813_100011220946 [0,2,0,0,0,0|1,0,0]=3 5682 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000225692_100011206558 [0,2,0,0,0,0|2,0,0]=4 5683 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000745921_100000038162 [0,2,0,0,0,0|2,0,0]=4 5684 B11R0.62 C#CCN(C)CCC(=O)OCC 34a_100000225692_100000765890 [0,2,0,0,0,0|2,0,0]=4 5685 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [0,2,0,0,0,0|0,0,2]=4 5686 B11R0.62 C=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000210623 [0,2,0,0,0,0|1,0,0]=3 5687 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,2,0,0,0,0|0,0,0]=2 5688 B11R0.62 C=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000210623 [0,2,0,0,0,0|1,0,0]=3 5689 B11R0.62 C=CCC(=O)COC(=O)CCC 1458a_100000210193_100000034017 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.62 C=CCC(=O)NCC(=O)NCC 11a_100016988866_100000210193 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.62 C=CCC(=O)NCC(=O)NCC 1626a_100016988866_100000210193 [0,2,0,0,0,0|2,0,0]=4 5692 B11R0.62 C=CCC(=O)NCC(=O)NCC 240690a_100016988866_100000210193 [0,2,0,0,0,0|2,0,0]=4 5693 B11R0.62 C=CCC(=O)NCC(=O)NCC 527a_100016988866_100000210193 [0,2,0,0,0,0|2,0,0]=4 5694 B11R0.62 C=CCC(=O)NCC(=O)OCC 188690a_100000741813_100000210193 [0,2,0,0,0,0|1,0,0]=3 5695 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000225617_100011206558 [0,2,0,0,0,0|2,0,0]=4 5696 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000745921_100000210623 [0,2,0,0,0,0|2,0,0]=4 5697 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000225617_100011206558 [0,2,0,0,0,0|2,0,0]=4 5698 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000745921_100000210623 [0,2,0,0,0,0|2,0,0]=4 5699 B11R0.62 CC#CC(=O)COC(=O)CCC 1458a_100000763181_100000034017 [0,2,0,0,0,0|2,0,0]=4 5700 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,2,0,0,0,0|2,0,0]=4 5701 B11R0.62 CC=CC(=O)NCC(=O)NCC 11a_100016988866_100000210699 [0,2,0,0,0,0|2,0,0]=4 5702 B11R0.62 CC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000210699 [0,2,0,0,0,0|2,0,0]=4 5703 B11R0.62 CC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000210699 [0,2,0,0,0,0|2,0,0]=4 5704 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [0,2,0,0,0,0|1,0,0]=3 5705 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,2,0,0,0,0|0,0,2]=4 5706 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,2,0,0,0,0|1,0,0]=3 5707 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,2,0,0,0,0|0,0,0]=2 5708 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,2,0,0,0,0|1,0,0]=3 5709 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,2,0,0,0,0|2,0,0]=4 5710 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,2,0,0,0,0|2,0,0]=4 5711 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,2,0,0,0,0|2,0,0]=4 5712 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,2,0,0,0,0|2,0,0]=4 5713 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,2,0,0,0,0|2,0,0]=4 5714 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,2,0,0,0,0|1,0,0]=3 5715 B11R0.62 CCCC(=O)OCC(=O)CC#N 1458a_100051588842_100000034017 [0,2,0,0,0,0|2,0,0]=4 5716 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,2,0,0,0,0|2,0,0]=4 5717 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,2,0,0,0,0|2,0,0]=4 5718 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,2,0,0,0,0|2,0,0]=4 5719 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,2,0,0,0,0|2,0,0]=4 5720 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,2,0,0,0,0|2,0,0]=4 5721 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,2,0,0,0,0|2,0,0]=4 5722 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,2,0,0,0,0|2,0,0]=4 5723 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [0,2,0,0,0,0|0,0,2]=4 5724 B11R0.62 CCNC(=O)CCC(=O)CC#N 1458a_100000199579_100011214920 [0,2,0,0,0,0|1,0,0]=3 5725 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,2,0,0,0,0|1,0,0]=3 5726 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,2,0,0,0,0|1,0,0]=3 5727 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,2,0,0,0,0|1,0,0]=3 5728 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,2,0,0,0,0|1,0,0]=3 5729 B11R0.62 CCNC(=O)CCC(=O)NNC 22a_100016993582_100000199579 [0,2,0,0,0,0|1,0,0]=3 5730 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,2,0,0,0,0|0,0,0]=2 5731 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,2,0,0,0,0|0,0,0]=2 5732 B11R0.62 CCNC(=O)CNC(=O)CC#N 1626a_100016988866_100051588842 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.62 CCNC(=O)CNC(=O)CC#N 240690a_100016988866_100051588842 [0,2,0,0,0,0|2,0,0]=4 5734 B11R0.62 CCNC(=O)CNC(=O)CCO 240690a_100016988866_100011216618 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.62 CCNC(=O)CNC(=O)COC 11a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 5736 B11R0.62 CCNC(=O)CNC(=O)COC 1626a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 5737 B11R0.62 CCNC(=O)CNC(=O)COC 240690a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.62 CCNC(=O)CNC(=O)COC 527a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 5739 B11R0.62 CCNC(=O)CNC(=O)CSC 11a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 5740 B11R0.62 CCNC(=O)CNC(=O)CSC 1626a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 5741 B11R0.62 CCNC(=O)CNC(=O)CSC 240690a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 5742 B11R0.62 CCNC(=O)CNC(=O)CSC 527a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 5743 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100015525214_100016988866 [0,2,0,0,0,0|2,0,0]=4 5744 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100016988866_100015525214 [0,2,0,0,0,0|2,0,0]=4 5745 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100015525214_100016988866 [0,2,0,0,0,0|2,0,0]=4 5746 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100016988866_100015525214 [0,2,0,0,0,0|2,0,0]=4 5747 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100015525214_100016988866 [0,2,0,0,0,0|2,0,0]=4 5748 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100016988866_100015525214 [0,2,0,0,0,0|2,0,0]=4 5749 B11R0.62 CCNC(=O)CNC(=O)NNC 273464a_100016988866_100016993582 [0,2,0,0,0,0|2,0,0]=4 5750 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016988866_100016993582 [0,2,0,0,0,0|2,0,0]=4 5751 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016993582_100016988866 [0,2,0,0,0,0|2,0,0]=4 5752 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,2,0,0,0,0|1,0,0]=3 5753 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,2,0,0,0,0|1,0,0]=3 5754 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,2,0,0,0,0|1,0,0]=3 5755 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,2,0,0,0,0|1,0,1]=4 5756 B11R0.62 CCOC(=O)C=CC(=O)CC#N 1458a_100000210415_100011214920 [0,2,0,0,0,0|0,0,2]=4 5757 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [0,2,0,0,0,0|0,0,2]=4 5758 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [0,2,0,0,0,0|0,0,2]=4 5759 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,2,0,0,0,0|0,0,0]=2 5760 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,2,0,0,0,0|0,0,0]=2 5761 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|0,0,0]=2 5762 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,2,0,0,0,0|0,0,2]=4 5763 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,2,0,0,0,0|0,1,1]=4 5764 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,2,0,0,0,0|0,1,1]=4 5765 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,2,0,0,0,0|0,1,1]=4 5766 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,2,0,0,0,0|0,1,1]=4 5767 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000745921_100011215382 [0,2,0,0,0,0|2,0,0]=4 5768 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000748184_100011206558 [0,2,0,0,0,0|2,0,0]=4 5769 B11R0.62 CCOC(=O)CCN(C)CC#N 269982a_100000745921_100011214920 [0,2,0,0,0,0|2,0,0]=4 5770 B11R0.62 CCOC(=O)CCN(C)CC=O 2230a_100000745921_200015260668 [0,2,0,0,0,0|1,0,0]=3 5771 B11R0.62 CCOC(=O)CCN(C)CC=O 269982a_100000745921_200015260668 [0,2,0,0,0,0|1,0,0]=3 5772 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,2,0,0,0,0|2,0,0]=4 5773 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,2,0,0,0,0|2,0,0]=4 5774 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,2,0,0,0,0|1,0,1]=4 5775 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,2,0,0,0,0|1,0,1]=4 5776 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,2,0,0,0,0|1,0,1]=4 5777 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,2,0,0,0,0|1,0,1]=4 5778 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,2,0,0,0,0|1,0,1]=4 5779 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,2,0,0,0,0|1,0,1]=4 5780 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,2,0,0,0,0|1,1,0]=4 5781 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,2,0,0,0,0|1,1,0]=4 5782 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,2,0,0,0,0|1,0,0]=3 5783 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,2,0,0,0,0|1,0,0]=3 5784 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,2,0,0,0,0|1,0,0]=3 5785 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,2,0,0,0,0|1,0,0]=3 5786 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,2,0,0,0,0|1,0,0]=3 5787 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,2,0,0,0,0|1,0,0]=3 5788 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,2,0,0,0,0|1,0,0]=3 5789 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,2,0,0,0,0|1,0,0]=3 5790 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,2,0,0,0,0|1,0,0]=3 5791 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,2,0,0,0,0|1,0,0]=3 5792 B11R0.62 CCOC(=O)NCC(=O)CC#N 1458a_100000190774_100011214920 [0,2,0,0,0,0|1,0,0]=3 5793 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,2,0,0,0,0|1,0,0]=3 5794 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,2,0,0,0,0|1,0,0]=3 5795 B11R0.62 CCOC(=O)NCC(=O)NNC 22a_100016993582_100000190774 [0,2,0,0,0,0|1,0,0]=3 5796 B11R0.170 CCCC(=O)CCS(=O)(=O)CC 1458a_100000211992_100000756660 [0,2,0,0,0,0|2,0,0]=4 5797 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,1]=4 5798 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 5799 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 5800 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|2,0,0]=4 5801 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [1,0,0,1,0,0|2,0,0]=4 5802 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 5803 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 5804 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|2,0,0]=4 5805 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [1,0,0,1,0,0|2,0,0]=4 5806 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,1,0,0|1,0,1]=4 5807 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [1,0,0,1,0,0|2,0,0]=4 5808 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [1,0,0,1,0,0|2,0,0]=4 5809 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [1,0,0,1,0,0|2,0,0]=4 5810 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [1,0,0,1,0,0|2,0,0]=4 5811 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [1,0,0,1,0,0|2,0,0]=4 5812 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [1,0,0,1,0,0|2,0,0]=4 5813 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,1]=4 5814 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,1]=4 5815 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,1]=4 5816 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,1]=4 5817 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 5818 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 5819 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 5820 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 5821 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 5822 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 5823 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,1]=4 5824 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,1]=4 5825 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|2,0,0]=4 5826 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|2,0,0]=4 5827 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 5828 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 5829 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 5830 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 5831 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 5832 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 5833 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|1,0,1]=4 5834 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|1,0,1]=4 5835 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|2,0,0]=4 5836 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|2,0,0]=4 5837 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|2,0,0]=4 5838 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 5839 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 5840 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 5841 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [1,0,0,1,0,0|1,0,1]=4 5842 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [1,0,0,1,0,0|1,0,1]=4 5843 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [1,0,0,1,0,0|1,0,1]=4 5844 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|1,0,1]=4 5845 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [1,0,0,1,0,0|2,0,0]=4 5846 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [1,0,0,1,0,0|2,0,0]=4 5847 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,1]=4 5848 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 5849 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 5850 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|1,0,1]=4 5851 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|1,0,1]=4 5852 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|1,0,1]=4 5853 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|2,0,0]=4 5854 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|2,0,0]=4 5855 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|0,0,1]=3 5856 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|0,0,1]=3 5857 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|0,1,1]=4 5858 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [1,0,0,1,0,0|2,0,0]=4 5859 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [1,0,0,1,0,0|2,0,0]=4 5860 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [1,0,0,1,0,0|2,0,0]=4 5861 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [1,0,0,1,0,0|2,0,0]=4 5862 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,0,0,1,0,0|1,0,1]=4 5863 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,0,0,1,0,0|1,0,1]=4 5864 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,0,0,1,0,0|1,0,1]=4 5865 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,0,0,1,0,0|1,0,1]=4 5866 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|1,0,0]=3 5867 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|1,0,1]=4 5868 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|2,0,0]=4 5869 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|0,0,1]=3 5870 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|0,1,1]=4 5871 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|1,0,0]=3 5872 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,1,0,0|1,0,1]=4 5873 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|1,0,0]=3 5874 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|1,0,1]=4 5875 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|1,0,1]=4 5876 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|2,0,0]=4 5877 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|0,0,1]=3 5878 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|0,0,1]=3 5879 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,1,0,0|1,0,1]=4 5880 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,1,0,0|1,0,1]=4 5881 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,1,0,0|1,0,1]=4 5882 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,1,0,0|1,0,1]=4 5883 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,1,0,0|1,0,1]=4 5884 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,1,0,0|1,0,1]=4 5885 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,1,0,0|1,0,1]=4 5886 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|1,0,0]=3 5887 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|1,0,1]=4 5888 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|0,0,1]=3 5889 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,1]=4 5890 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,1]=4 5891 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,1,0,0|2,0,0]=4 5892 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [1,0,0,1,0,0|1,0,1]=4 5893 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [1,0,0,1,0,0|1,0,1]=4 5894 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [1,0,0,1,0,0|1,0,1]=4 5895 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [1,0,0,1,0,0|1,0,1]=4 5896 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [1,0,0,1,0,0|2,0,0]=4 5897 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|2,0,0]=4 5898 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,0,0,1,0,0|1,0,1]=4 5899 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,0,0,1,0,0|1,0,1]=4 5900 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,0,0,1,0,0|1,0,1]=4 5901 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,0,0,1,0,0|1,0,1]=4 5902 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|1,0,0]=3 5903 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|0,0,2]=4 5904 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,0,0,1,0,0|2,0,0]=4 5905 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [1,0,0,1,0,0|1,0,0]=3 5906 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [1,0,0,1,0,0|2,0,0]=4 5907 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [1,0,0,1,0,0|2,0,0]=4 5908 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [1,0,0,1,0,0|2,0,0]=4 5909 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [1,0,0,1,0,0|2,0,0]=4 5910 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [1,0,0,1,0,0|2,0,0]=4 5911 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|1,0,0]=3 5912 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [1,0,0,1,0,0|1,1,0]=4 5913 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,0,0,1,0,0|2,0,0]=4 5914 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|1,0,0]=3 5915 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|0,0,2]=4 5916 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [1,0,0,1,0,0|1,0,0]=3 5917 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [1,0,0,1,0,0|2,0,0]=4 5918 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|1,0,0]=3 5919 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [1,0,0,1,0,0|1,1,0]=4 5920 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|1,0,1]=4 5921 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|1,0,1]=4 5922 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|0,0,2]=4 5923 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [1,0,0,1,0,0|1,0,0]=3 5924 B9R1.82 C=C1CC(C1)C(=O)CF 1458a_100000065620_100015361967 [1,0,0,1,0,0|2,0,0]=4 5925 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [1,0,0,1,0,0|2,0,0]=4 5926 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [1,0,0,1,0,0|2,0,0]=4 5927 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [1,0,0,1,0,0|2,0,0]=4 5928 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [1,0,0,1,0,0|2,0,0]=4 5929 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [1,0,0,1,0,0|1,0,1]=4 5930 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [1,0,0,1,0,0|1,0,1]=4 5931 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [1,0,0,1,0,0|2,0,0]=4 5932 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [1,0,0,1,0,0|1,0,0]=3 5933 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [1,0,0,1,0,0|0,0,2]=4 5934 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [1,0,0,1,0,0|2,0,0]=4 5935 B9R1.82 CNC(=O)[C@@H]1CC(=O)N1 527a_100102657272_100016090685 [1,0,0,1,0,0|2,0,0]=4 5936 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [1,0,0,1,0,0|2,0,0]=4 5937 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [1,0,0,1,0,0|2,0,0]=4 5938 B9R1.82 O=C1C[C@H](N1)C(=O)CF 1458a_100016090685_100015361967 [1,0,0,1,0,0|2,0,0]=4 5939 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [1,0,0,1,0,0|1,0,1]=4 5940 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [1,0,0,1,0,0|1,0,1]=4 5941 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [1,0,0,1,0,0|1,0,1]=4 5942 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,0,1,1,0|2,0,0]=4 5943 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,0,1,1,0|1,0,0]=3 5944 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,0,0,1,1,0|2,0,0]=4 5945 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,0,0,1,1,0|2,0,0]=4 5946 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,0,0,1,0,1|2,0,0]=4 5947 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,0,0,1,0,1|1,0,0]=3 5948 B11R1.15 CCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210303 [0,0,0,1,0,1|2,0,0]=4 5949 B11R1.15 CCCC(=O)N1CNC(=O)C1 11a_200000708111_100000211992 [0,0,0,1,0,1|2,0,0]=4 5950 B11R1.15 CCCC(=O)N1CNC(=O)C1 1626a_200000708111_100000211992 [0,0,0,1,0,1|2,0,0]=4 5951 B11R1.15 CCCC(=O)N1CNC(=O)C1 240690a_200000708111_100000211992 [0,0,0,1,0,1|2,0,0]=4 5952 B11R1.15 CCCC(=O)N1CNC(=O)C1 527a_200000708111_100000211992 [0,0,0,1,0,1|2,0,0]=4 5953 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,0,0,1,0,1|2,0,0]=4 5954 B11R1.15 CCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210303 [0,0,0,1,0,1|2,0,0]=4 5955 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,0,0,1,0,1|2,0,0]=4 5956 B11R1.15 CCNC(=O)C1CNC(=O)C1 11a_100015525214_100000747279 [0,0,0,1,0,1|1,0,0]=3 5957 B11R1.15 CCNC(=O)C1CNC(=O)C1 240690a_100015525214_100000747279 [0,0,0,1,0,1|1,0,0]=3 5958 B11R1.15 CCNC(=O)C1CNC(=O)C1 527a_100015525214_100000747279 [0,0,0,1,0,1|1,0,0]=3 5959 B11R1.15 CCNC(=O)C1CNC(=O)N1 11a_100015525214_100000033324 [0,0,0,1,0,1|2,0,0]=4 5960 B11R1.15 CCNC(=O)C1CNC(=O)N1 240690a_100015525214_100000033324 [0,0,0,1,0,1|2,0,0]=4 5961 B11R1.15 CCNC(=O)N1CNC(=O)C1 2708a_100015525214_200000708111 [0,0,0,1,0,1|2,0,0]=4 5962 B11R1.15 CCNC(=O)N1CNC(=O)C1 273464a_100015525214_200000708111 [0,0,0,1,0,1|2,0,0]=4 5963 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,0,0,1,0,1|2,0,0]=4 5964 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,0,0,1,0,1|2,0,0]=4 5965 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,0,0,1,0,1|2,0,0]=4 5966 B11R1.15 CCNC(=O)[C@@H]1CSC(=O)N1 240690a_100015525214_100000735014 [0,0,0,1,0,1|2,0,0]=4 5967 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,0,0,1,0,1|2,0,0]=4 5968 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,0,0,1,0,1|2,0,0]=4 5969 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,0,0,1,0,1|2,0,0]=4 5970 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,0,0,1,0,1|2,0,0]=4 5971 B11R1.15 CNNC(=O)C1CNC(=O)C1 22a_100016993582_100000747279 [0,0,0,1,0,1|2,0,0]=4 5972 B11R1.15 O=C1CC(CN1)C(=O)CCF 1458a_100000747279_100011217306 [0,0,0,1,0,1|2,0,0]=4 5973 B11R1.15 O=C1CC(CN1)C(=O)CCO 1458a_100000747279_100000211926 [0,0,0,1,0,1|2,0,0]=4 5974 B11R1.90 C=C(C)CNC1CCNC1=O 2230a_100016995588_100000748629 [0,0,0,1,0,1|2,0,0]=4 5975 B11R1.90 C=C(C)CNC1CCNC1=O 34a_100016995588_100000748629 [0,0,0,1,0,1|2,0,0]=4 5976 B11R1.90 C=C(C)COC1CCCC1=O 34a_100000210245_100000709159 [0,0,0,1,0,1|2,0,0]=4 5977 B11R1.90 C=C(C)COC1CCCC1=O 34a_200000719330_100000748629 [0,0,0,1,0,1|2,0,0]=4 5978 B11R1.90 C=C(C)COC1CCOC1=O 34a_100000210245_100000211211 [0,0,0,1,0,1|1,0,0]=3 5979 B11R1.90 C=C(C)CO[C@H]1CCNC1=O 34a_100000688343_100000748629 [0,0,0,1,0,1|2,0,0]=4 5980 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000211823_100000211660 [0,0,0,1,0,1|2,0,0]=4 5981 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000748629_100000211823 [0,0,0,1,0,1|2,0,0]=4 5982 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000211211_100000211660 [0,0,0,1,0,1|1,0,0]=3 5983 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000748629_100000211211 [0,0,0,1,0,1|1,0,0]=3 5984 B11R1.90 C=C(F)COC1CCOC1=O 34a_200010262243_100000211211 [0,0,0,1,0,1|1,0,1]=4 5985 B11R1.90 C=C(F)CSC1CCOC1=O 62a_100000042424_100000211211 [0,0,0,1,0,1|1,0,1]=4 5986 B11R1.90 C=C(F)CSC1CCOC1=O 62a_100000211211_100000042424 [0,0,0,1,0,1|1,0,1]=4 5987 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,0,0,1,0,1|0,0,0]=2 5988 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,0,0,1,0,1|1,0,0]=3 5989 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,0,0,1,0,1|1,0,0]=3 5990 B11R1.90 CC(=O)CCN1CCNC1=O 1458a_100000070787_100000090651 [0,0,0,1,0,1|1,0,0]=3 5991 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,0,0,1,0,1|0,0,0]=2 5992 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [0,0,0,1,0,1|1,0,0]=3 5993 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,0,0,1,0,1|0,0,0]=2 5994 B11R1.90 CC(Br)COC1CCOC1=O 34a_100012180447_100000211211 [0,0,0,1,0,1|1,0,1]=4 5995 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,0,0,1,0,1|1,0,1]=4 5996 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,0,0,1,0,1|1,0,1]=4 5997 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,0,0,1,0,1|1,0,1]=4 5998 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,0,0,1,0,1|1,0,1]=4 5999 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,0,0,1,0,1|1,0,1]=4 6000 B11R1.90 CC(F)COC1CCOC1=O 34a_100015925927_100000211211 [0,0,0,1,0,1|1,0,1]=4 6001 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,0,0,1,0,1|0,0,2]=4 6002 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,0,0,1,0,1|0,0,2]=4 6003 B11R1.90 CC(O)CSC1CCOC1=O 62a_100000211211_100011218427 [0,0,0,1,0,1|0,0,2]=4 6004 B11R1.90 CC(O)CSC1CCOC1=O 62a_100011218427_100000211211 [0,0,0,1,0,1|0,0,2]=4 6005 B11R1.90 C[C@@H](Cl)COC1CCOC1=O 34a_100016084084_100000211211 [0,0,0,1,0,1|1,0,1]=4 6006 B11R1.90 C[C@@H](N)COC1CCOC1=O 34a_100000737577_100000211211 [0,0,0,1,0,1|1,0,1]=4 6007 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100000211211_100009817552 [0,0,0,1,0,1|0,0,2]=4 6008 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100009817552_100000211211 [0,0,0,1,0,1|0,0,2]=4 6009 B11R1.90 NC(=O)CNC1CCCC1=O 2230a_100000711301_100000211823 [0,0,0,1,0,1|2,0,0]=4 6010 B11R1.90 NC(=O)CNC1CCNC1=O 2230a_100016995588_100000747473 [0,0,0,1,0,1|2,0,0]=4 6011 B11R1.90 NC(=O)CNC1CCNC1=O 34a_100016995588_100000187820 [0,0,0,1,0,1|2,0,0]=4 6012 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,0,0,1,0,1|1,0,0]=3 6013 B11R1.90 NC(=O)COC1CCCC1=O 34a_200000719330_100000187820 [0,0,0,1,0,1|2,0,0]=4 6014 B11R1.90 NC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000187820 [0,0,0,1,0,1|2,0,0]=4 6015 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000211823_100000747473 [0,0,0,1,0,1|2,0,0]=4 6016 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000747473_100000211823 [0,0,0,1,0,1|2,0,0]=4 6017 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,0,0,1,0,1|1,0,0]=3 6018 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,0,0,1,0,1|1,0,0]=3 6019 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,0,0,1,0,1|2,0,0]=4 6020 B11R1.90 O=C([O-])CNC1CCNC1=O 34a_100016995588_100020667443 [0,0,0,1,0,1|2,0,0]=4 6021 B11R1.90 O=C([O-])COC1CCCC1=O 34a_200000719330_100020667443 [0,0,0,1,0,1|2,0,0]=4 6022 B11R1.90 O=C([O-])CO[C@H]1CCNC1=O 34a_100000688343_100020667443 [0,0,0,1,0,1|2,0,0]=4 6023 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100000211823_100020667443 [0,0,0,1,0,1|2,0,0]=4 6024 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100020667443_100000211823 [0,0,0,1,0,1|2,0,0]=4 6025 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100000211211_100020667443 [0,0,0,1,0,1|1,0,0]=3 6026 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100020667443_100000211211 [0,0,0,1,0,1|1,0,0]=3 6027 B11R1.90 O=C1OCCC1SC[N+](=O)[O-] 62a_100000211211_100000761209 [0,0,0,1,0,1|2,0,0]=4 6028 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,0,0,1,0,1|0,0,0]=2 6029 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,0,0,1,0,1|1,0,0]=3 6030 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,0,0,1,0,1|0,0,0]=2 6031 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 11a_100011787710_100015343762 [0,0,0,1,0,1|1,0,1]=4 6032 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 1626a_100011787710_100015343762 [0,0,0,1,0,1|1,0,1]=4 6033 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 240690a_100011787710_100015343762 [0,0,0,1,0,1|1,0,1]=4 6034 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 527a_100011787710_100103153847 [0,0,0,1,0,1|1,0,1]=4 6035 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210202 [0,0,0,1,0,1|1,0,1]=4 6036 B11R1.157 C=C(C)CN1CCNC(=O)C1 2230a_100000184651_100000748629 [0,0,0,1,0,1|2,0,0]=4 6037 B11R1.157 C=C(C)CN1CCOC(=O)C1 2230a_100000131268_100000748629 [0,0,0,1,0,1|1,0,0]=3 6038 B11R1.157 C=C(F)CN1CCOC(=O)C1 2230a_100000131268_100009893438 [0,0,0,1,0,1|1,0,1]=4 6039 B11R1.157 CC(=O)CN1CCNC(=O)C1 1458a_100025771038_200000210301 [0,0,0,1,0,1|1,0,0]=3 6040 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,0,0,1,0,1|1,0,0]=3 6041 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,0,0,1,0,1|1,0,0]=3 6042 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,0,0,1,0,1|1,0,0]=3 6043 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,0,0,1,0,1|1,0,0]=3 6044 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,0,0,1,0,1|1,0,1]=4 6045 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,0,0,1,0,1|1,0,1]=4 6046 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,0,0,1,0,1|0,0,2]=4 6047 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,0,0,1,0,1|0,0,2]=4 6048 B11R1.157 NC(=O)CN1CCNC(=O)C1 2230a_100000184651_100000747473 [0,0,0,1,0,1|2,0,0]=4 6049 B11R1.157 NC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747473 [0,0,0,1,0,1|1,0,0]=3 6050 B11R1.157 [13CH3]C(=O)CN1CCNC(=O)C1 1458a_100025771038_200025704644 [0,0,0,1,0,1|1,0,0]=3 6051 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,0,0,1,0,1|0,0,2]=4 6052 B11R1.172 CC(=O)COCC1=NCCN1 34a_100000211253_100000737910 [0,0,0,1,0,1|2,0,0]=4 6053 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,0,0,1,0,1|1,0,1]=4 6054 B11R1.172 CC(=O)COCC1OCCO1 34a_100000211253_100000755774 [0,0,0,1,0,1|0,0,2]=4 6055 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,0,0,1,0,1|1,0,1]=4 6056 B11R1.172 CC(=O)NCCC1OCCO1 11a_100000034215_100015343762 [0,0,0,1,0,1|0,0,2]=4 6057 B11R1.172 CC(=O)NCCC1OCCO1 1626a_100000034215_100015343762 [0,0,0,1,0,1|0,0,2]=4 6058 B11R1.172 CC(=O)NCCC1OCCO1 240690a_100000034215_100015343762 [0,0,0,1,0,1|0,0,2]=4 6059 B11R1.172 CC(=O)NCCC1OCCO1 527a_100000034215_100103153847 [0,0,0,1,0,1|0,0,2]=4 6060 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,0,0,1,0,1|1,0,1]=4 6061 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,0,0,1,0,1|1,0,1]=4 6062 B11R1.201 C=C1CC(C1)NC(=O)CCC 11a_100132301982_100000211992 [0,0,0,1,0,1|2,0,0]=4 6063 B11R1.201 C=C1CC(C1)NC(=O)CCC 1626a_100132301982_100000211992 [0,0,0,1,0,1|2,0,0]=4 6064 B11R1.201 C=C1CC(C1)NC(=O)CCC 527a_100132301982_100000211992 [0,0,0,1,0,1|2,0,0]=4 6065 B11R1.201 C=C1CC(C1)NC(=O)NCC 2708a_100015525214_100132301982 [0,0,0,1,0,1|2,0,0]=4 6066 B11R1.201 C=C1CC(C1)NC(=O)NCC 2708a_100132301982_100015525214 [0,0,0,1,0,1|2,0,0]=4 6067 B11R1.201 C=C1CC(C1)NC(=O)NCC 273464a_100015525214_100132301982 [0,0,0,1,0,1|2,0,0]=4 6068 B11R1.201 C=C1CC(C1)NC(=O)NCC 273464a_100132301982_100015525214 [0,0,0,1,0,1|2,0,0]=4 6069 B11R1.201 C=C1CC(C1)NC(=O)NCC 512a_100015525214_100132301982 [0,0,0,1,0,1|2,0,0]=4 6070 B11R1.201 C=C1CC(C1)NC(=O)NCC 512a_100132301982_100015525214 [0,0,0,1,0,1|2,0,0]=4 6071 B11R1.201 CC#CC(=O)CC1CC(=O)C1 1458a_100000763181_100009874392 [0,0,0,1,0,1|1,0,1]=4 6072 B11R1.201 CC=CC(=O)CC1CC(=O)C1 1458a_100000210699_100009874392 [0,0,0,1,0,1|1,0,1]=4 6073 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,0,0,1,0,1|1,0,0]=3 6074 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,0,0,1,0,1|1,0,1]=4 6075 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,0,0,1,0,1|1,0,1]=4 6076 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,0,0,1,0,1|1,0,1]=4 6077 B11R1.201 CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000188475 [0,0,0,1,0,1|1,0,1]=4 6078 B11R1.201 CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000188475 [0,0,0,1,0,1|1,0,1]=4 6079 B11R1.201 CCOC(=O)CN1CC(C1)F 34a_100000690557_100000188475 [0,0,0,1,0,1|1,0,1]=4 6080 B11R1.201 CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000188475 [0,0,0,1,0,1|0,0,2]=4 6081 B11R1.201 COCC(=O)CC1CC(=O)C1 1458a_100000210968_100009874392 [0,0,0,1,0,1|2,0,0]=4 6082 B11R1.201 CSCC(=O)CC1CC(=O)C1 1458a_100000184570_100009874392 [0,0,0,1,0,1|2,0,0]=4 6083 B11R1.201 O=C(CCO)CC1CC(=O)C1 1458a_100011216618_100009874392 [0,0,0,1,0,1|2,0,0]=4 6084 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,0,0,1,0,1|1,0,1]=4 6085 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,0,0,1,0,1|1,0,1]=4 6086 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,0,0,1,0,1|1,0,1]=4 6087 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,0,0,1,0,1|1,0,1]=4 6088 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,0,0,1,0,1|1,0,1]=4 6089 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,0,0,1,0,1|1,0,1]=4 6090 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,0,0,1,0,1|1,0,1]=4 6091 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,0,0,1,0,1|1,0,1]=4 6092 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,0,0,1,0,1|0,0,2]=4 6093 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,0,0,1,0,1|1,0,1]=4 6094 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,0,0,1,0,1|1,0,1]=4 6095 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,0,0,1,0,1|0,0,2]=4 6096 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,0,0,1,0,1|0,0,2]=4 6097 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [0,0,0,1,0,1|0,1,1]=4 6098 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [0,0,0,1,0,1|0,1,1]=4 6099 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,0,0,1,0,1|0,0,2]=4 6100 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,0,0,1,0,1|0,0,2]=4 6101 B11R1.565 CC(=O)N1CCNC(=O)CC1 11a_100000698595_100015343762 [0,0,0,1,0,1|1,0,0]=3 6102 B11R1.565 CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100015343762 [0,0,0,1,0,1|1,0,0]=3 6103 B11R1.565 CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100015343762 [0,0,0,1,0,1|1,0,0]=3 6104 B11R1.565 CC(=O)N1CCNC(=O)CC1 527a_100000698595_100103153847 [0,0,0,1,0,1|1,0,0]=3 6105 B11R1.645 CC(=O)Cc1oc(=O)oc1C 1458a_100000070787_100000068490 [0,0,0,1,0,1|0,0,2]=4 6106 B11R1.720 C=C(C)COCC(=O)C1CC1 34a_100000210245_100000746382 [0,0,0,1,0,1|2,0,0]=4 6107 B11R1.720 C=C(C)COCC(=O)C1CC1 34a_100000686663_100000748629 [0,0,0,1,0,1|2,0,0]=4 6108 B11R1.720 C=C(C)CSCC(=O)C1CC1 62a_100000746382_100000211660 [0,0,0,1,0,1|2,0,0]=4 6109 B11R1.720 C=C(C)CSCC(=O)C1CC1 62a_100000748629_100000746382 [0,0,0,1,0,1|2,0,0]=4 6110 B11R1.720 CC(=CCCC(=O)C1CC1)C 1458a_100000210395_100011217483 [0,0,0,1,0,1|2,0,0]=4 6111 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,0,0,1,0,1|1,0,0]=3 6112 B11R1.720 CC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011215641 [0,0,0,1,0,1|2,0,0]=4 6113 B11R1.720 CC(=O)COCC(=O)C1CC1 34a_100000211253_100000746382 [0,0,0,1,0,1|1,0,0]=3 6114 B11R1.720 CC(=O)NCCC(=O)C1CC1 1458a_100000210395_100000189650 [0,0,0,1,0,1|1,0,0]=3 6115 B11R1.720 CC(=O)NCCC(=O)C1CO1 1458a_100000701028_100000189650 [0,0,0,1,0,1|2,0,0]=4 6116 B11R1.720 CC(=O)OCCC(=O)C1CC1 1458a_100000210395_100009814007 [0,0,0,1,0,1|1,0,0]=3 6117 B11R1.720 CC(=O)OCCC(=O)C1CO1 1458a_100000701028_100009814007 [0,0,0,1,0,1|2,0,0]=4 6118 B11R1.720 NC(=O)CCCC(=O)C1CC1 1458a_100000210395_100102525003 [0,0,0,1,0,1|2,0,0]=4 6119 B11R1.720 NC(=O)CCNC(=O)C1CC1 11a_100000740010_100000210395 [0,0,0,1,0,1|2,0,0]=4 6120 B11R1.720 NC(=O)CCNC(=O)C1CC1 240690a_100000740010_100000210395 [0,0,0,1,0,1|2,0,0]=4 6121 B11R1.720 NC(=O)CCNC(=O)C1CC1 527a_100000740010_100000210395 [0,0,0,1,0,1|2,0,0]=4 6122 B11R1.720 NC(=O)CNCC(=O)C1CC1 2230a_100000711301_100000746382 [0,0,0,1,0,1|2,0,0]=4 6123 B11R1.720 NC(=O)COCC(=O)C1CC1 34a_100000686663_100000187820 [0,0,0,1,0,1|2,0,0]=4 6124 B11R1.720 NC(=O)CSCC(=O)C1CC1 62a_100000746382_100000747473 [0,0,0,1,0,1|2,0,0]=4 6125 B11R1.720 NC(=O)CSCC(=O)C1CC1 62a_100000747473_100000746382 [0,0,0,1,0,1|2,0,0]=4 6126 B11R1.720 NC(=O)NCCC(=O)C1CC1 1458a_100000210395_200000034859 [0,0,0,1,0,1|2,0,0]=4 6127 B11R1.720 NC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011214921 [0,0,0,1,0,1|2,0,0]=4 6128 B11R1.720 O=C(O)CNCC(=O)C1CC1 269956a_100016091260_100000746382 [0,0,0,1,0,1|2,0,0]=4 6129 B11R1.720 O=C([O-])COCC(=O)C1CC1 34a_100000686663_100020667443 [0,0,0,1,0,1|2,0,0]=4 6130 B11R1.720 O=C([O-])CSCC(=O)C1CC1 62a_100000746382_100020667443 [0,0,0,1,0,1|2,0,0]=4 6131 B11R1.720 O=C([O-])CSCC(=O)C1CC1 62a_100020667443_100000746382 [0,0,0,1,0,1|2,0,0]=4 6132 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,0,0,1,0,1|0,0,0]=2 6133 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,0,0,1,0,1|0,0,0]=2 6134 B11R1.48 CCN1CC(CC1=O)C(=O)C 1458a_100000215766_200000210301 [0,1,0,1,0,0|1,0,0]=3 6135 B11R1.48 CCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000215766_200025704644 [0,1,0,1,0,0|1,0,0]=3 6136 B11R1.74 CC(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200000210301 [0,1,0,1,0,0|1,0,1]=4 6137 B11R1.74 [13CH3]C(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200025704644 [0,1,0,1,0,0|1,0,1]=4 6138 B11R1.89 C=C(C)C(=O)C1CCOC1=O 1458a_100000185857_100000211211 [0,1,0,1,0,0|1,0,1]=4 6139 B11R1.89 CC(=O)C(C)N1CCCC1=O 1458a_200011194792_200000210301 [0,1,0,1,0,0|2,0,0]=4 6140 B11R1.89 CC(C(=O)[13CH3])N1CCCC1=O 1458a_200011194792_200025704644 [0,1,0,1,0,0|2,0,0]=4 6141 B11R1.497 CC(=O)N1CCCNC(=O)C1 11a_100015190381_100015343762 [0,1,0,1,0,0|2,0,0]=4 6142 B11R1.497 CC(=O)N1CCCNC(=O)C1 1626a_100015190381_100015343762 [0,1,0,1,0,0|2,0,0]=4 6143 B11R1.497 CC(=O)N1CCCNC(=O)C1 240690a_100015190381_100015343762 [0,1,0,1,0,0|2,0,0]=4 6144 B11R1.497 CC(=O)N1CCCNC(=O)C1 527a_100015190381_100103153847 [0,1,0,1,0,0|2,0,0]=4 6145 B11R1.718 CC(=O)C(=O)CC(=O)C1CC1 1458a_100000210395_100011261029 [0,1,0,1,0,0|1,0,1]=4 6146 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,1,0,1,0,0|0,0,2]=4 6147 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,1,0,1,0,0|2,0,0]=4 6148 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,1,0,1,0,0|2,0,0]=4 6149 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,1,0,1,0,0|2,0,0]=4 6150 B11R1.86 CC(=O)CN1CCOCC1=O 1458a_100000722046_200000210301 [0,1,0,1,0,0|1,0,0]=3 6151 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 6152 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 6153 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 6154 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,1,0,1,0,0|2,0,0]=4 6155 B11R1.86 [13CH3]C(=O)CN1CCOCC1=O 1458a_100000722046_200025704644 [0,1,0,1,0,0|1,0,0]=3 6156 B11R1.152 C=C1CC(C1)C(=O)CC(C)C 1458a_100000065620_100000210624 [0,1,0,1,0,0|2,0,0]=4 6157 B11R1.152 C=C1CC(C1)C(=O)CC(C)O 1458a_100000065620_100011218427 [0,1,0,1,0,0|2,0,0]=4 6158 B11R1.152 C=C1CC(C1)C(=O)NC(C)C 11a_100138425928_100000065620 [0,1,0,1,0,0|2,0,0]=4 6159 B11R1.152 C=C1CC(C1)C(=O)NC(C)C 1626a_100138425928_100000065620 [0,1,0,1,0,0|2,0,0]=4 6160 B11R1.152 C=C1CC(C1)C(=O)NC(C)C 240690a_100138425928_100000065620 [0,1,0,1,0,0|2,0,0]=4 6161 B11R1.152 C=C1CC(C1)C(=O)NC(C)C 527a_100138425928_100000065620 [0,1,0,1,0,0|2,0,0]=4 6162 B11R1.152 CC(C)CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210624 [0,1,0,1,0,0|2,0,0]=4 6163 B11R1.152 CC(C)NC(=O)[C@@H]1CC(=O)N1 527a_100138425928_100016090685 [0,1,0,1,0,0|2,0,0]=4 6164 B11R1.152 CC(O)CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011218427 [0,1,0,1,0,0|2,0,0]=4 6165 B11R1.159 CC(=O)N1CCNC(=O)C1C 11a_100000750721_100015343762 [0,1,0,1,0,0|2,0,0]=4 6166 B11R1.159 CC(=O)N1CCNC(=O)C1C 1626a_100000750721_100015343762 [0,1,0,1,0,0|2,0,0]=4 6167 B11R1.159 CC(=O)N1CCNC(=O)C1C 240690a_100000750721_100015343762 [0,1,0,1,0,0|2,0,0]=4 6168 B11R1.159 CC(=O)N1CCNC(=O)C1C 527a_100000750721_100103153847 [0,1,0,1,0,0|2,0,0]=4 6169 B11R1.719 CC(=O)OC(C)C(=O)C1CC1 1458a_100000210395_100009818208 [0,1,0,1,0,0|2,0,0]=4 6170 B11R1.21 CC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_200000210301 [0,1,0,1,0,0|1,0,0]=3 6171 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 11a_100000187256_100015343762 [0,1,0,1,0,0|2,0,0]=4 6172 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 1626a_100000187256_100015343762 [0,1,0,1,0,0|2,0,0]=4 6173 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 240690a_100000187256_100015343762 [0,1,0,1,0,0|2,0,0]=4 6174 B11R1.21 CC(=O)N1CCN(C(=O)C1)C 527a_100000187256_100103153847 [0,1,0,1,0,0|2,0,0]=4 6175 B11R1.21 CN1CCC(CC1=O)C(=O)[13CH3] 1458a_100000043916_200025704644 [0,1,0,1,0,0|1,0,0]=3 6176 B11R1.103 C=C(C)CCC(=O)C1CC1C 1458a_100000211227_100000730704 [0,1,0,1,0,0|2,0,0]=4 6177 B11R1.103 C=C(C)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000730704 [0,1,0,1,0,0|2,0,0]=4 6178 B11R1.296 C=C1CC(C1)C(=O)C(C)CC 1458a_100000065620_100000758301 [0,1,0,1,0,0|2,0,0]=4 6179 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 11a_100000225621_100000065620 [0,1,0,1,0,0|2,0,0]=4 6180 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 1626a_100000225621_100000065620 [0,1,0,1,0,0|2,0,0]=4 6181 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 240690a_100000225621_100000065620 [0,1,0,1,0,0|2,0,0]=4 6182 B11R1.296 C=C1CC(C1)C(=O)N(C)CC 527a_100000225621_100000065620 [0,1,0,1,0,0|2,0,0]=4 6183 B11R1.296 CCC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000758301 [0,1,0,1,0,0|2,0,0]=4 6184 B11R1.296 CCN(C)C(=O)[C@@H]1CC(=O)N1 527a_100000225621_100016090685 [0,1,0,1,0,0|2,0,0]=4 6185 B11R1.346 C=C(C)CCC(=O)C1CCC1 1458a_100000209988_100000730704 [0,1,0,1,0,0|2,0,0]=4 6186 B11R1.346 C=C(C)CCC(=O)C1CCC1 1458a_200000688413_100000749161 [0,1,0,1,0,0|2,0,0]=4 6187 B11R1.346 C=C(C)CCC(=O)C1CCO1 1458a_100000089072_100000730704 [0,1,0,1,0,0|1,0,0]=3 6188 B11R1.346 C=C(C)CCC(=O)C1COC1 1458a_100000758290_100000730704 [0,1,0,1,0,0|2,0,0]=4 6189 B11R1.346 C=C(C)CCC(=O)C1COC1 1458a_200000688413_100000687716 [0,1,0,1,0,0|2,0,0]=4 6190 B11R1.346 C=C(C)CCC(=O)N1CCC1 11a_100000754969_200000688413 [0,1,0,1,0,0|2,0,0]=4 6191 B11R1.346 C=C(C)CCC(=O)N1CCC1 240690a_100000754969_200000688413 [0,1,0,1,0,0|2,0,0]=4 6192 B11R1.346 C=C(C)CCC(=O)N1CCC1 527a_100000754969_200000688413 [0,1,0,1,0,0|2,0,0]=4 6193 B11R1.346 C=C(C)CNC(=O)C1CCO1 11a_100000765925_100000089072 [0,1,0,1,0,0|2,0,0]=4 6194 B11R1.346 C=C(C)CNC(=O)C1CCO1 1626a_100000765925_100000089072 [0,1,0,1,0,0|2,0,0]=4 6195 B11R1.346 C=C(C)CNC(=O)C1CCO1 240690a_100000765925_100000089072 [0,1,0,1,0,0|2,0,0]=4 6196 B11R1.346 C=C(C)CNC(=O)C1CCO1 527a_100000765925_100000089072 [0,1,0,1,0,0|2,0,0]=4 6197 B11R1.346 CC(=CCC(=O)C1CCO1)C 1458a_100000089072_100000761012 [0,1,0,1,0,0|1,0,1]=4 6198 B11R1.346 CC(=O)NCC(=O)C1CCC1 1458a_100000194580_100000749161 [0,1,0,1,0,0|2,0,0]=4 6199 B11R1.346 CC(=O)NCC(=O)C1COC1 1458a_100000194580_100000687716 [0,1,0,1,0,0|2,0,0]=4 6200 B11R1.346 CC(=O)NCC(=O)N1CCC1 11a_100000754969_100000194580 [0,1,0,1,0,0|2,0,0]=4 6201 B11R1.346 CC(=O)NCC(=O)N1CCC1 240690a_100000754969_100000194580 [0,1,0,1,0,0|2,0,0]=4 6202 B11R1.346 CC(=O)NCC(=O)N1CCC1 527a_100000754969_100000194580 [0,1,0,1,0,0|2,0,0]=4 6203 B11R1.346 CC(=O)NNC(=O)C1CCO1 22a_100000189765_100000089072 [0,1,0,1,0,0|2,0,0]=4 6204 B11R1.346 CC(=O)OCC(=O)C1CCC1 1458a_100000183556_100000749161 [0,1,0,1,0,0|2,0,0]=4 6205 B11R1.346 CC(=O)OCC(=O)C1COC1 1458a_100000183556_100000687716 [0,1,0,1,0,0|2,0,0]=4 6206 B11R1.346 CC(=O)OCC(=O)N1CCC1 240690a_100000754969_100000183556 [0,1,0,1,0,0|2,0,0]=4 6207 B11R1.346 CC(=O)OCC(=O)N1CCC1 527a_100000754969_100000183556 [0,1,0,1,0,0|2,0,0]=4 6208 B11R1.346 CC(=O)SCC(=O)C1CCC1 1458a_100000049016_100000749161 [0,1,0,1,0,0|2,0,0]=4 6209 B11R1.346 CC(=O)SCC(=O)C1COC1 1458a_100000049016_100000687716 [0,1,0,1,0,0|2,0,0]=4 6210 B11R1.346 CC(=O)SCC(=O)N1CCC1 11a_100000754969_100000049016 [0,1,0,1,0,0|2,0,0]=4 6211 B11R1.346 CC(=O)SCC(=O)N1CCC1 240690a_100000754969_100000049016 [0,1,0,1,0,0|2,0,0]=4 6212 B11R1.346 CC(C)CCC(=O)C1CCO1 1458a_100000089072_100000210312 [0,1,0,1,0,0|1,0,1]=4 6213 B11R1.346 CC(O)CCC(=O)C1CCO1 1458a_100000089072_100012276601 [0,1,0,1,0,0|0,0,2]=4 6214 B11R1.346 NC(=O)CCC(=O)C1CCC1 1458a_100011215257_100000749161 [0,1,0,1,0,0|2,0,0]=4 6215 B11R1.346 NC(=O)CCC(=O)C1COC1 1458a_100011215257_100000687716 [0,1,0,1,0,0|2,0,0]=4 6216 B11R1.346 NC(=O)CCC(=O)N1CCC1 240690a_100000754969_100011215257 [0,1,0,1,0,0|2,0,0]=4 6217 B11R1.346 NC(=O)CCC(=O)N1CCC1 527a_100000754969_100011215257 [0,1,0,1,0,0|2,0,0]=4 6218 B11R1.346 NC(=O)CNC(=O)C1CCO1 11a_100000711301_100000089072 [0,1,0,1,0,0|2,0,0]=4 6219 B11R1.346 NC(=O)CNC(=O)C1CCO1 240690a_100000711301_100000089072 [0,1,0,1,0,0|2,0,0]=4 6220 B11R1.346 NC(=O)CNC(=O)C1CCO1 527a_100000711301_100000089072 [0,1,0,1,0,0|2,0,0]=4 6221 B11R1.347 C=C(C)CCC(=O)C1(CC1)C 1458a_100000756474_100000730704 [0,1,0,1,0,0|2,0,0]=4 6222 B11R1.347 C=C(C)CCC(=O)C1(CC1)F 1458a_100000055089_100000730704 [0,1,0,1,0,0|2,0,0]=4 6223 B11R1.347 C=C(C)CCC(=O)C1(CC1)O 1458a_100000241761_100000730704 [0,1,0,1,0,0|2,0,0]=4 6224 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,1,0,1,0,0|1,0,1]=4 6225 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,1,0,1,0,0|1,0,1]=4 6226 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,1,0,1,0,0|1,0,1]=4 6227 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [0,1,0,1,0,0|1,0,1]=4 6228 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [0,1,0,1,0,0|1,0,1]=4 6229 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [0,1,0,1,0,0|1,0,1]=4 6230 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,1,0,1,0,0|1,0,1]=4 6231 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,1,0,1,0,0|1,0,1]=4 6232 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [0,1,0,1,0,0|1,0,1]=4 6233 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [0,1,0,1,0,0|0,0,2]=4 6234 B11R1.287 C=C1CC(C1)C(=O)CCCC 1458a_100000065620_100000210211 [0,1,0,1,0,0|2,0,0]=4 6235 B11R1.287 C=C1CC(C1)C(=O)CCCF 1458a_100000065620_100011934791 [0,1,0,1,0,0|2,0,0]=4 6236 B11R1.287 C=C1CC(C1)C(=O)CCCO 1458a_100000065620_100011215043 [0,1,0,1,0,0|2,0,0]=4 6237 B11R1.287 C=C1CC(C1)C(=O)CCOC 1458a_100000065620_100000233755 [0,1,0,1,0,0|2,0,0]=4 6238 B11R1.287 C=C1CC(C1)C(=O)CCSC 1458a_100000065620_100000751147 [0,1,0,1,0,0|2,0,0]=4 6239 B11R1.287 C=C1CC(C1)C(=O)NCCC 11a_100020643023_100000065620 [0,1,0,1,0,0|2,0,0]=4 6240 B11R1.287 C=C1CC(C1)C(=O)NCCC 1626a_100020643023_100000065620 [0,1,0,1,0,0|2,0,0]=4 6241 B11R1.287 C=C1CC(C1)C(=O)NCCC 240690a_100020643023_100000065620 [0,1,0,1,0,0|2,0,0]=4 6242 B11R1.287 C=C1CC(C1)C(=O)NCCC 527a_100020643023_100000065620 [0,1,0,1,0,0|2,0,0]=4 6243 B11R1.287 C=C1CC(C1)C(=O)NCCF 11a_100000724931_100000065620 [0,1,0,1,0,0|2,0,0]=4 6244 B11R1.287 C=C1CC(C1)C(=O)NCCF 1626a_100000724931_100000065620 [0,1,0,1,0,0|2,0,0]=4 6245 B11R1.287 C=C1CC(C1)C(=O)NCCF 240690a_100000724931_100000065620 [0,1,0,1,0,0|2,0,0]=4 6246 B11R1.287 C=C1CC(C1)C(=O)NCCF 527a_100000724931_100000065620 [0,1,0,1,0,0|2,0,0]=4 6247 B11R1.287 C=C1CC(C1)C(=O)NCCO 240690a_100000210304_100000065620 [0,1,0,1,0,0|2,0,0]=4 6248 B11R1.287 C=C1CC(C1)C(=O)NCCO 527a_100000210304_100000065620 [0,1,0,1,0,0|2,0,0]=4 6249 B11R1.287 C=C1CC(C1)C(=O)NNCC 22a_100000756455_100000065620 [0,1,0,1,0,0|2,0,0]=4 6250 B11R1.287 CCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210211 [0,1,0,1,0,0|2,0,0]=4 6251 B11R1.287 CCCNC(=O)[C@@H]1CC(=O)N1 527a_100020643023_100016090685 [0,1,0,1,0,0|2,0,0]=4 6252 B11R1.287 CCNNC(=O)[C@@H]1CC(=O)N1 22a_100000756455_100016090685 [0,1,0,1,0,0|2,0,0]=4 6253 B11R1.287 COCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000233755 [0,1,0,1,0,0|2,0,0]=4 6254 B11R1.287 CSCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000751147 [0,1,0,1,0,0|2,0,0]=4 6255 B11R1.287 O=C1C[C@H](N1)C(=O)CCCF 1458a_100016090685_100011934791 [0,1,0,1,0,0|2,0,0]=4 6256 B11R1.287 O=C1C[C@H](N1)C(=O)CCCO 1458a_100016090685_100011215043 [0,1,0,1,0,0|2,0,0]=4 6257 B11R1.287 O=C1C[C@H](N1)C(=O)NCCF 527a_100000724931_100016090685 [0,1,0,1,0,0|2,0,0]=4 6258 B11R1.287 O=C1C[C@H](N1)C(=O)NCCO 527a_100000210304_100016090685 [0,1,0,1,0,0|2,0,0]=4 6259 B11R1.348 C=C(C)CCC(=O)CC1CC1 1458a_100000738066_100000730704 [0,1,0,1,0,0|2,0,0]=4 6260 B11R1.348 C=C(C)CCC(=O)CC1CC1 1458a_200000688413_100000742324 [0,1,0,1,0,0|2,0,0]=4 6261 B11R1.348 C=C(C)CCC(=O)CC1CO1 1458a_200000688413_100011216344 [0,1,0,1,0,0|2,0,0]=4 6262 B11R1.348 C=C(C)CCC(=O)CC1CS1 1458a_200000688413_100000031435 [0,1,0,1,0,0|2,0,0]=4 6263 B11R1.348 C=C(C)CCC(=O)C[C@@H]1CO1 1458a_200000688413_100000745022 [0,1,0,1,0,0|2,0,0]=4 6264 B11R1.348 C=C(C)CCC(=O)NC1CC1 1626a_100000212008_200000688413 [0,1,0,1,0,0|2,0,0]=4 6265 B11R1.348 C=C(C)CCC(=O)NC1CC1 240690a_100000212008_200000688413 [0,1,0,1,0,0|2,0,0]=4 6266 B11R1.348 C=C(C)CCC(=O)NC1CC1 527a_100000212008_200000688413 [0,1,0,1,0,0|2,0,0]=4 6267 B11R1.348 CC(=O)NCC(=O)CC1CC1 1458a_100000194580_100000742324 [0,1,0,1,0,0|2,0,0]=4 6268 B11R1.348 CC(=O)NCC(=O)CC1CO1 1458a_100000194580_100011216344 [0,1,0,1,0,0|2,0,0]=4 6269 B11R1.348 CC(=O)NCC(=O)CC1CS1 1458a_100000194580_100000031435 [0,1,0,1,0,0|2,0,0]=4 6270 B11R1.348 CC(=O)NCC(=O)C[C@@H]1CO1 1458a_100000194580_100000745022 [0,1,0,1,0,0|2,0,0]=4 6271 B11R1.348 CC(=O)NCC(=O)NC1CC1 11a_100000702991_100015343762 [0,1,0,1,0,0|2,0,0]=4 6272 B11R1.348 CC(=O)NCC(=O)NC1CC1 1626a_100000212008_100000194580 [0,1,0,1,0,0|2,0,0]=4 6273 B11R1.348 CC(=O)NCC(=O)NC1CC1 1626a_100000702991_100015343762 [0,1,0,1,0,0|2,0,0]=4 6274 B11R1.348 CC(=O)NCC(=O)NC1CC1 240690a_100000212008_100000194580 [0,1,0,1,0,0|2,0,0]=4 6275 B11R1.348 CC(=O)NCC(=O)NC1CC1 240690a_100000702991_100015343762 [0,1,0,1,0,0|2,0,0]=4 6276 B11R1.348 CC(=O)NCC(=O)NC1CC1 527a_100000212008_100000194580 [0,1,0,1,0,0|2,0,0]=4 6277 B11R1.348 CC(=O)NCC(=O)NC1CC1 527a_100000702991_100103153847 [0,1,0,1,0,0|2,0,0]=4 6278 B11R1.348 CC(=O)OCC(=O)CC1CC1 1458a_100000183556_100000742324 [0,1,0,1,0,0|2,0,0]=4 6279 B11R1.348 CC(=O)OCC(=O)CC1CO1 1458a_100000183556_100011216344 [0,1,0,1,0,0|2,0,0]=4 6280 B11R1.348 CC(=O)OCC(=O)CC1CS1 1458a_100000183556_100000031435 [0,1,0,1,0,0|2,0,0]=4 6281 B11R1.348 CC(=O)OCC(=O)C[C@@H]1CO1 1458a_100000183556_100000745022 [0,1,0,1,0,0|2,0,0]=4 6282 B11R1.348 CC(=O)OCC(=O)NC1CC1 1626a_100000212008_100000183556 [0,1,0,1,0,0|2,0,0]=4 6283 B11R1.348 CC(=O)OCC(=O)NC1CC1 240690a_100000212008_100000183556 [0,1,0,1,0,0|2,0,0]=4 6284 B11R1.348 CC(=O)OCC(=O)NC1CC1 527a_100000212008_100000183556 [0,1,0,1,0,0|2,0,0]=4 6285 B11R1.348 CC(=O)SCC(=O)CC1CC1 1458a_100000049016_100000742324 [0,1,0,1,0,0|2,0,0]=4 6286 B11R1.348 CC(=O)SCC(=O)CC1CO1 1458a_100000049016_100011216344 [0,1,0,1,0,0|2,0,0]=4 6287 B11R1.348 CC(=O)SCC(=O)CC1CS1 1458a_100000049016_100000031435 [0,1,0,1,0,0|2,0,0]=4 6288 B11R1.348 CC(=O)SCC(=O)C[C@@H]1CO1 1458a_100000049016_100000745022 [0,1,0,1,0,0|2,0,0]=4 6289 B11R1.348 CC(=O)SCC(=O)NC1CC1 1626a_100000212008_100000049016 [0,1,0,1,0,0|2,0,0]=4 6290 B11R1.348 CC(=O)SCC(=O)NC1CC1 240690a_100000212008_100000049016 [0,1,0,1,0,0|2,0,0]=4 6291 B11R1.348 NC(=O)CCC(=O)CC1CC1 1458a_100011215257_100000742324 [0,1,0,1,0,0|2,0,0]=4 6292 B11R1.348 NC(=O)CCC(=O)CC1CO1 1458a_100011215257_100011216344 [0,1,0,1,0,0|2,0,0]=4 6293 B11R1.348 NC(=O)CCC(=O)CC1CS1 1458a_100011215257_100000031435 [0,1,0,1,0,0|2,0,0]=4 6294 B11R1.348 NC(=O)CCC(=O)C[C@@H]1CO1 1458a_100011215257_100000745022 [0,1,0,1,0,0|2,0,0]=4 6295 B11R1.348 NC(=O)CCC(=O)NC1CC1 240690a_100000212008_100011215257 [0,1,0,1,0,0|2,0,0]=4 6296 B11R1.348 NC(=O)CCC(=O)NC1CC1 527a_100000212008_100011215257 [0,1,0,1,0,0|2,0,0]=4 6297 B11R1.713 CC(=O)CCC1(OCCO1)C 1458a_100000070787_100000758764 [0,1,0,1,0,0|0,0,2]=4 6298 B11R1.20 CC(C)OC1CCC(=O)CC1 34a_100000764474_100000210206 [0,1,0,1,0,0|1,0,1]=4 6299 B11R1.20 CC(C)OC1CCC(=O)CC1 7a_100000764474_100000210206 [0,1,0,1,0,0|1,0,1]=4 6300 B11R1.489 CC(=O)C1CC(=O)OC1(C)C 1458a_100000034619_200000210301 [0,1,0,1,0,0|0,0,0]=2 6301 B11R1.489 CC1(OC(=O)CC1C(=O)[13CH3])C 1458a_100000034619_200025704644 [0,1,0,1,0,0|0,0,0]=2 6302 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,1,0,1,0,0|1,0,1]=4 6303 B11R1.730 CC(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200000210301 [0,1,0,1,0,0|2,0,0]=4 6304 B11R1.730 [13CH3]C(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200025704644 [0,1,0,1,0,0|2,0,0]=4 6305 B11R1.1234 CCOC1(CCC(=O)CC1)C 34a_100012184276_100000210202 [0,1,0,1,0,0|1,0,1]=4 6306 B11R1.1234 CCOC1(CCC(=O)CC1)C 7a_100012184276_100000210202 [0,1,0,1,0,0|1,0,1]=4 6307 B11R1.23 C=CC(=O)N1CCOC(=O)C1 240690a_100000131268_200121576911 [0,1,0,1,0,0|1,0,1]=4 6308 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,1,0,0|1,0,0]=3 6309 B11R1.23 CCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 6310 B11R1.23 CCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 6311 B11R1.23 CCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 6312 B11R1.23 CCC(=O)N1CCNC(=O)C1 527a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 6313 B11R1.23 CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 6314 B11R1.23 CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 6315 B11R1.23 CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 6316 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,1,0,0|2,0,0]=4 6317 B11R1.23 CNC(=O)C1CCNC(=O)C1 11a_106832991635_100000132800 [0,1,0,1,0,0|1,0,0]=3 6318 B11R1.23 CNC(=O)C1CCNC(=O)C1 1626a_100102657272_100000132800 [0,1,0,1,0,0|1,0,0]=3 6319 B11R1.23 CNC(=O)C1CCNC(=O)C1 240690a_100102657272_100000132800 [0,1,0,1,0,0|1,0,0]=3 6320 B11R1.23 CNC(=O)C1CCNC(=O)C1 527a_100102657272_100000132800 [0,1,0,1,0,0|1,0,0]=3 6321 B11R1.23 CNC(=O)N1CCNC(=O)C1 2708a_100102657272_100000184651 [0,1,0,1,0,0|2,0,0]=4 6322 B11R1.23 CNC(=O)N1CCNC(=O)C1 273464a_100102657272_100000184651 [0,1,0,1,0,0|2,0,0]=4 6323 B11R1.23 CNC(=O)N1CCOC(=O)C1 2708a_100102657272_100000131268 [0,1,0,1,0,0|1,0,0]=3 6324 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [0,1,0,1,0,0|2,0,0]=4 6325 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [0,1,0,1,0,0|2,0,0]=4 6326 B11R1.23 O=C1CC(CCN1)C(=O)CF 1458a_100000132800_100015361967 [0,1,0,1,0,0|1,0,0]=3 6327 B11R1.23 O=C1CCC[C@@H](N1)C(=O)CF 1458a_100000705292_100015361967 [0,1,0,1,0,0|2,0,0]=4 6328 B11R1.23 O=C1CN(CCN1)C(=O)CO 240690a_100000184651_100000210174 [0,1,0,1,0,0|2,0,0]=4 6329 B11R1.23 O=C1CN(CCN1)C(=O)CO 527a_100000184651_100000210174 [0,1,0,1,0,0|2,0,0]=4 6330 B11R1.23 O=C1CN(CCO1)C(=O)CO 240690a_100000131268_100000210174 [0,1,0,1,0,0|1,0,0]=3 6331 B11R1.23 O=C1CN(CCO1)C(=O)CO 527a_100000131268_100000210174 [0,1,0,1,0,0|1,0,0]=3 6332 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,1,0,0|1,0,1]=4 6333 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,1,0,1,0,0|0,0,2]=4 6334 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,1,0,1,0,0|0,0,2]=4 6335 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,1,0,1,0,0|2,0,0]=4 6336 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,1,0,0|1,0,1]=4 6337 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 6338 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 6339 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 6340 B11R1.25 CNC(=O)CCN1CCCO1 240690a_100102657272_200015187630 [0,1,0,1,0,0|2,0,0]=4 6341 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,1,0,0|1,0,1]=4 6342 B11R1.25 O=C(CF)CCC1OCCO1 1458a_100000082924_100015361967 [0,1,0,1,0,0|0,0,2]=4 6343 B11R1.25 O=C(CF)CCN1CCCO1 1458a_200015187630_100015361967 [0,1,0,1,0,0|2,0,0]=4 6344 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,1,0,1,0,0|0,0,2]=4 6345 B11R1.121 CCOC1CC(C1)C(=O)OC 34a_100121572206_100009897219 [0,1,0,1,0,0|1,0,1]=4 6346 B11R1.121 CCOC1CC(C1)C(=O)OC 7a_100000076263_100000210202 [0,1,0,1,0,0|1,0,1]=4 6347 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,1,0,0|2,0,0]=4 6348 B11R1.228 CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210202 [0,1,0,1,0,0|1,0,0]=3 6349 B11R1.228 CCC(=O)NC1CCNC1=O 11a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 6350 B11R1.228 CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 6351 B11R1.228 CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 6352 B11R1.228 CCC(=O)NC1CCNC1=O 527a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 6353 B11R1.228 CCC(=O)NC1CCSC1=O 11a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 6354 B11R1.228 CCC(=O)NC1CCSC1=O 1626a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 6355 B11R1.228 CCC(=O)NC1CCSC1=O 240690a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 6356 B11R1.228 CCC(=O)NC1CCSC1=O 527a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 6357 B11R1.228 CNC(=O)CN1CCCC1=O 11a_106832991635_100000189602 [0,1,0,1,0,0|2,0,0]=4 6358 B11R1.228 CNC(=O)CN1CCCC1=O 1626a_100102657272_100000189602 [0,1,0,1,0,0|2,0,0]=4 6359 B11R1.228 CNC(=O)CN1CCCC1=O 240690a_100102657272_100000189602 [0,1,0,1,0,0|2,0,0]=4 6360 B11R1.228 CNC(=O)CN1CCCC1=O 527a_100102657272_100000189602 [0,1,0,1,0,0|2,0,0]=4 6361 B11R1.228 CNC(=O)CN1CCOC1=O 11a_106832991635_100011227918 [0,1,0,1,0,0|1,0,0]=3 6362 B11R1.228 CNC(=O)CN1CCOC1=O 1626a_100102657272_100011227918 [0,1,0,1,0,0|1,0,0]=3 6363 B11R1.228 CNC(=O)CN1CCOC1=O 240690a_100102657272_100011227918 [0,1,0,1,0,0|1,0,0]=3 6364 B11R1.228 CNC(=O)CN1CCOC1=O 527a_100102657272_100011227918 [0,1,0,1,0,0|1,0,0]=3 6365 B11R1.228 CNC(=O)NC1CCNC1=O 2708a_100016995588_106832991635 [0,1,0,1,0,0|2,0,0]=4 6366 B11R1.228 CNC(=O)NC1CCNC1=O 2708a_100102657272_100016995588 [0,1,0,1,0,0|2,0,0]=4 6367 B11R1.228 CNC(=O)NC1CCNC1=O 273464a_100016995588_100102657272 [0,1,0,1,0,0|2,0,0]=4 6368 B11R1.228 CNC(=O)NC1CCNC1=O 273464a_100102657272_100016995588 [0,1,0,1,0,0|2,0,0]=4 6369 B11R1.228 CNC(=O)NC1CCNC1=O 512a_100016995588_100102657272 [0,1,0,1,0,0|2,0,0]=4 6370 B11R1.228 CNC(=O)NC1CCNC1=O 512a_106832991638_100016995588 [0,1,0,1,0,0|2,0,0]=4 6371 B11R1.228 CNC(=O)NC1CCSC1=O 2708a_100102657272_100000184058 [0,1,0,1,0,0|1,1,0]=4 6372 B11R1.228 CNC(=O)NC1CCSC1=O 273464a_100000184058_100102657272 [0,1,0,1,0,0|1,1,0]=4 6373 B11R1.228 CNC(=O)NC1CCSC1=O 273464a_100102657272_100000184058 [0,1,0,1,0,0|1,1,0]=4 6374 B11R1.228 CNC(=O)NC1CCSC1=O 512a_100000184058_100102657272 [0,1,0,1,0,0|1,1,0]=4 6375 B11R1.228 CNC(=O)NC1CCSC1=O 512a_106832991638_100000184058 [0,1,0,1,0,0|1,1,0]=4 6376 B11R1.228 O=C(CF)CN1CCCC1=O 1458a_100000189602_100015361967 [0,1,0,1,0,0|2,0,0]=4 6377 B11R1.228 O=C(CF)CN1CCOC1=O 1458a_100011227918_100015361967 [0,1,0,1,0,0|1,0,0]=3 6378 B11R1.228 O=C(CO)NC1CCNC1=O 240690a_100016995588_100000210174 [0,1,0,1,0,0|2,0,0]=4 6379 B11R1.228 O=C(CO)NC1CCNC1=O 527a_100016995588_100000210174 [0,1,0,1,0,0|2,0,0]=4 6380 B11R1.228 O=C(CO)NC1CCSC1=O 240690a_100000184058_100000210174 [0,1,0,1,0,0|1,1,0]=4 6381 B11R1.228 O=C(CO)NC1CCSC1=O 527a_100000184058_100000210174 [0,1,0,1,0,0|1,1,0]=4 6382 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,1,0,1,0,0|2,0,0]=4 6383 B11R1.524 CCC(=O)COC(=O)C1CC1 1458a_100000210414_100000140896 [0,1,0,1,0,0|2,0,0]=4 6384 B11R1.524 CNC(=O)CNC(=O)C1CC1 11a_100000693194_100000210395 [0,1,0,1,0,0|2,0,0]=4 6385 B11R1.524 CNC(=O)CNC(=O)C1CC1 240690a_100000693194_100000210395 [0,1,0,1,0,0|2,0,0]=4 6386 B11R1.524 CNC(=O)CNC(=O)C1CC1 527a_100000693194_100000210395 [0,1,0,1,0,0|2,0,0]=4 6387 B11R1.524 COC(=O)CNC(=O)C1CC1 188690a_100000185156_100000210395 [0,1,0,1,0,0|2,0,0]=4 6388 B11R1.524 O=C(CO)COC(=O)C1CC1 1458a_100000210174_100000140896 [0,1,0,1,0,0|2,0,0]=4 6389 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [0,1,0,1,0,0|0,0,2]=4 6390 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [0,1,0,1,0,0|0,0,2]=4 6391 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [0,1,0,1,0,0|2,0,0]=4 6392 B11R1.822 CCOC(=O)C1CN(C1)CF 269982a_100015188541_100015361967 [0,1,0,1,0,0|2,0,0]=4 6393 B11R1.155 CS(=O)(=O)N1CCOC(=O)C1 40a_100000131268_100000738038 [0,1,0,1,0,0|2,0,0]=4 6394 B11R1.1417 CS(=O)(=O)CCC(=O)C1CC1 1458a_100000210395_100000731031 [0,1,0,1,0,0|2,0,0]=4 6395 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,0,0,1,0|1,0,0]=3 6396 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,0,0,0,1,0|2,0,0]=4 6397 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,0,0,0,1,0|1,0,1]=4 6398 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,1,0|1,0,1]=4 6399 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,1,0|1,0,1]=4 6400 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,1,0|1,0,1]=4 6401 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,0,0,1,0|1,0,1]=4 6402 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,0,0,1,0|1,0,1]=4 6403 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,1,0|0,0,0]=2 6404 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,1,0|1,0,0]=3 6405 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,1,0|1,0,0]=3 6406 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,1,0|1,0,0]=3 6407 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,0,0,1,0|1,0,1]=4 6408 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,0,0,1,0|1,0,1]=4 6409 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,0,0,1,0|0,0,2]=4 6410 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,0,0,0,1,0|2,0,0]=4 6411 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,0,0,0,1,0|2,0,0]=4 6412 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,0,0,1,0|0,0,2]=4 6413 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,0,0,0,1,0|2,0,0]=4 6414 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,0,0,0,1,0|2,0,0]=4 6415 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,1,0|1,0,1]=4 6416 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,1,0|1,0,1]=4 6417 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,1,0|1,0,1]=4 6418 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,1,0|0,0,2]=4 6419 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,1,0|0,0,2]=4 6420 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,1,0|0,0,2]=4 6421 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,1,0|2,0,0]=4 6422 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,1,0|2,0,0]=4 6423 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,1,0|1,0,1]=4 6424 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,0,0,1,0|1,0,0]=3 6425 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,0,0,0,1,0|2,0,0]=4 6426 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,0,0,0,1,0|2,0,0]=4 6427 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,1,0|0,0,0]=2 6428 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,1,0|0,0,0]=2 6429 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,1,0|0,0,0]=2 6430 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,0,0,0,1,0|2,0,0]=4 6431 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,0,0,0,1,0|2,0,0]=4 6432 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,0,0,0,1,0|2,0,0]=4 6433 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,0,0,0,1,0|2,0,0]=4 6434 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [1,0,0,0,1,0|2,0,0]=4 6435 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,0,0,0,1,0|2,0,0]=4 6436 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,0,0,0,1,0|2,0,0]=4 6437 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,2,0|2,0,0]=4 6438 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,0,0,2,0|2,0,0]=4 6439 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,0,0,2,0|2,0,0]=4 6440 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,0,0,2,0|2,0,0]=4 6441 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,0,0,2,0|2,0,0]=4 6442 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,0,0,2,0|2,0,0]=4 6443 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,2,0|1,0,0]=3 6444 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,2,0|2,0,0]=4 6445 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,2,0|1,0,0]=3 6446 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,2,0|1,0,1]=4 6447 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,2,0|1,0,1]=4 6448 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,2,0|1,0,1]=4 6449 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,0,0,2,0|2,0,0]=4 6450 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,0,0,2,0|2,0,0]=4 6451 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,0,0,2,0|2,0,0]=4 6452 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,0,0,2,0|2,0,0]=4 6453 B11R0.176 C=C(Br)CCOCC(=O)OCC 34a_100009813270_100000188475 [0,0,0,0,0,2|1,0,1]=4 6454 B11R0.176 C=C(C)CCNCC(=O)NCC 2230a_100016988866_100000730704 [0,0,0,0,0,2|2,0,0]=4 6455 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,0,0,0,0,2|2,0,0]=4 6456 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,0,0,0,0,2|1,0,0]=3 6457 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,0,0,0,0,2|2,0,0]=4 6458 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,0,0,0,0,2|2,0,0]=4 6459 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000183381_100000730704 [0,0,0,0,0,2|2,0,0]=4 6460 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000730704_100000183381 [0,0,0,0,0,2|2,0,0]=4 6461 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,0,0,0,0,2|1,0,0]=3 6462 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,0,0,0,0,2|1,0,0]=3 6463 B11R0.176 C=C(C)CNCCC(=O)NCC 34a_100025743525_100000748629 [0,0,0,0,0,2|2,0,0]=4 6464 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,0,0,0,0,2|1,0,0]=3 6465 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,0,0,0,0,2|2,0,0]=4 6466 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000737597_100000211660 [0,0,0,0,0,2|2,0,0]=4 6467 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000748629_100000737597 [0,0,0,0,0,2|2,0,0]=4 6468 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,0,0,0,0,2|1,0,0]=3 6469 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,0,0,0,0,2|1,0,0]=3 6470 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [0,0,0,0,0,2|2,0,0]=4 6471 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,0,0,0,0,2|1,0,0]=3 6472 B11R0.176 C=C(F)COCCC(=O)OCC 34a_200010262243_100000765890 [0,0,0,0,0,2|1,0,1]=4 6473 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000042424_100000765890 [0,0,0,0,0,2|1,0,1]=4 6474 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000765890_100000042424 [0,0,0,0,0,2|1,0,1]=4 6475 B11R0.176 C=C(F)CSCOC(=O)OCC 62a_100000042424_100000075025 [0,0,0,0,0,2|1,0,1]=4 6476 B11R0.176 C=COC(=O)COCCC(=O)C 34a_100000759926_100000036128 [0,0,0,0,0,2|0,0,2]=4 6477 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000036128_100000053229 [0,0,0,0,0,2|0,0,2]=4 6478 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000053229_100000036128 [0,0,0,0,0,2|0,0,2]=4 6479 B11R0.176 C=COC(=O)CSCOC(=O)C 62a_100000036128_100000076356 [0,0,0,0,0,2|0,0,2]=4 6480 B11R0.176 C=COC(=O)CSCOC(=O)C 62a_100000076356_100000036128 [0,0,0,0,0,2|0,0,2]=4 6481 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,0,0,0,0,2|1,0,1]=4 6482 B11R0.176 CC#CC(=O)CCCOC(=O)C 1458a_100000763181_100000042594 [0,0,0,0,0,2|1,0,1]=4 6483 B11R0.176 CC#CC(=O)CCCSC(=O)C 1458a_100000763181_100000038929 [0,0,0,0,0,2|1,0,1]=4 6484 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,0,0,0,0,2|2,0,0]=4 6485 B11R0.176 CC(=O)CCOCC(=O)NCO 34a_100000759926_100000185155 [0,0,0,0,0,2|2,0,0]=4 6486 B11R0.176 CC(=O)CCOCC(=O)NCO 7a_100000759926_100000185155 [0,0,0,0,0,2|2,0,0]=4 6487 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000053229_100000185155 [0,0,0,0,0,2|2,0,0]=4 6488 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000185155_100000053229 [0,0,0,0,0,2|2,0,0]=4 6489 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,0,0,0,0,2|2,0,0]=4 6490 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,0,0,0,0,2|2,0,0]=4 6491 B11R0.176 CC(=O)NCCNC(=O)CCO 240690a_100000209853_100011216618 [0,0,0,0,0,2|2,0,0]=4 6492 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,0,0,0,0,2|2,0,0]=4 6493 B11R0.176 CC(=O)OCCNC(=O)CCO 240690a_100000724843_100011216618 [0,0,0,0,0,2|2,0,0]=4 6494 B11R0.176 CC(=O)OCSCC(=O)NCO 62a_100000076356_100000185155 [0,0,0,0,0,2|2,0,0]=4 6495 B11R0.176 CC(=O)OCSCC(=O)NCO 62a_100000185155_100000076356 [0,0,0,0,0,2|2,0,0]=4 6496 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,0,0,0,0,2|2,0,0]=4 6497 B11R0.176 CC(=O)SCCNC(=O)CCO 240690a_100020647217_100011216618 [0,0,0,0,0,2|2,0,0]=4 6498 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,0,0,0,0,2|1,0,1]=4 6499 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,0,0,0,0,2|1,0,1]=4 6500 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,0,0,0,0,2|1,0,1]=4 6501 B11R0.176 CC=CC(=O)NCCNC(=O)C 240690a_100000209853_100000210699 [0,0,0,0,0,2|1,0,1]=4 6502 B11R0.176 CC=CC(=O)NCCOC(=O)C 11a_100000724843_100000210699 [0,0,0,0,0,2|1,0,1]=4 6503 B11R0.176 CC=CC(=O)NCCOC(=O)C 240690a_100000724843_100000210699 [0,0,0,0,0,2|1,0,1]=4 6504 B11R0.176 CC=CC(=O)NCCSC(=O)C 11a_100020647217_100000210699 [0,0,0,0,0,2|1,0,1]=4 6505 B11R0.176 CC=CC(=O)NCCSC(=O)C 240690a_100020647217_100000210699 [0,0,0,0,0,2|1,0,1]=4 6506 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,0,0,0,0,2|1,0,0]=3 6507 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,0,0,0,0,2|1,0,0]=3 6508 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,0,0,0,0,2|1,0,0]=3 6509 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,0,0,0,0,2|1,1,0]=4 6510 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,0,0,0,0,2|1,0,0]=3 6511 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,0,0,0,0,2|2,0,0]=4 6512 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,0,0,0,0,2|2,0,0]=4 6513 B11R0.176 CCCC(=O)CNOCC(=O)O 269956a_100000106656_100000747444 [0,0,0,0,0,2|2,0,0]=4 6514 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,0,0,0,0,2|1,0,0]=3 6515 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,0,0,0,0,2|2,0,0]=4 6516 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [0,0,0,0,0,2|2,0,0]=4 6517 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [0,0,0,0,0,2|2,0,0]=4 6518 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,0,0,0,0,2|1,0,0]=3 6519 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,0,0,0,0,2|1,0,0]=3 6520 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,0,0,0,0,2|2,0,0]=4 6521 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,0,0,0,0,2|2,0,0]=4 6522 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [0,0,0,0,0,2|1,0,0]=3 6523 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [0,0,0,0,0,2|1,0,0]=3 6524 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,0,0,0,0,2|2,0,0]=4 6525 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,0,0,0,0,2|2,0,0]=4 6526 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,0,0,0,0,2|2,0,0]=4 6527 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,0,0,0,0,2|2,0,0]=4 6528 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,0,0,0,0,2|2,0,0]=4 6529 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,0,0,0,0,2|1,0,0]=3 6530 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,0,0,0,0,2|1,0,0]=3 6531 B11R0.176 CCCC(=O)NCCNC(=O)N 240690a_100020590234_100000211992 [0,0,0,0,0,2|2,0,0]=4 6532 B11R0.176 CCCC(=O)NCCNC(=O)N 527a_100020590234_100000211992 [0,0,0,0,0,2|2,0,0]=4 6533 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,0,0,0,0,2|1,0,0]=3 6534 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,0,0,0,0,2|1,0,0]=3 6535 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,0,0,0,0,2|1,0,0]=3 6536 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,0,0,0,0,2|1,0,0]=3 6537 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,0,0,0,0,2|1,0,0]=3 6538 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,0,0,0,0,2|1,0,0]=3 6539 B11R0.176 CCCC(=O)OCNCC(=O)N 2230a_100000711301_100000034017 [0,0,0,0,0,2|2,0,0]=4 6540 B11R0.176 CCCC(=O)OCNCC(=O)O 269956a_100016091260_100000034017 [0,0,0,0,0,2|2,0,0]=4 6541 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,0,0,0,0,2|1,0,0]=3 6542 B11R0.176 CCCC(=O)OCSCC(=O)N 62a_100000747473_100000034017 [0,0,0,0,0,2|2,0,0]=4 6543 B11R0.176 CCCC(=O)OCSCC(=O)[O-] 62a_100020667443_100000034017 [0,0,0,0,0,2|2,0,0]=4 6544 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,0,0,0,0,2|1,0,0]=3 6545 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,0,0,0,0,2|1,0,0]=3 6546 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,0,0,0,0,2|1,0,0]=3 6547 B11R0.176 CCNC(=O)CCNCC(=O)N 2230a_100000711301_100000737597 [0,0,0,0,0,2|2,0,0]=4 6548 B11R0.176 CCNC(=O)CCNCC(=O)N 34a_100025743525_100000187820 [0,0,0,0,0,2|2,0,0]=4 6549 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,0,0,0,0,2|2,0,0]=4 6550 B11R0.176 CCNC(=O)CCNCC(=O)[O-] 34a_100025743525_100020667443 [0,0,0,0,0,2|2,0,0]=4 6551 B11R0.176 CCNC(=O)CCSCC(=O)N 11a_100015525214_100000148550 [0,0,0,0,0,2|2,0,0]=4 6552 B11R0.176 CCNC(=O)CCSCC(=O)N 240690a_100015525214_100000148550 [0,0,0,0,0,2|2,0,0]=4 6553 B11R0.176 CCNC(=O)CCSCC(=O)N 527a_100015525214_100000148550 [0,0,0,0,0,2|2,0,0]=4 6554 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000737597_100000747473 [0,0,0,0,0,2|2,0,0]=4 6555 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000747473_100000737597 [0,0,0,0,0,2|2,0,0]=4 6556 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100000737597_100020667443 [0,0,0,0,0,2|2,0,0]=4 6557 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737597 [0,0,0,0,0,2|2,0,0]=4 6558 B11R0.176 CCNC(=O)CNCC=C(C)C 2230a_100016988866_100000761012 [0,0,0,0,0,2|2,0,0]=4 6559 B11R0.176 CCNC(=O)CNCC=C(C)C 34a_100000718196_100000183381 [0,0,0,0,0,2|2,0,0]=4 6560 B11R0.176 CCNC(=O)CNCCC(=O)N 2230a_100016988866_100000744528 [0,0,0,0,0,2|2,0,0]=4 6561 B11R0.176 CCNC(=O)CNOCC(=O)O 269956a_100000106656_100000183381 [0,0,0,0,0,2|2,0,0]=4 6562 B11R0.176 CCNC(=O)COCC=C(C)C 34a_100000753907_100000183381 [0,0,0,0,0,2|2,0,0]=4 6563 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,0,0,0,0,2|1,0,0]=3 6564 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,0,0,0,0,2|1,0,0]=3 6565 B11R0.176 CCNC(=O)COCCC(=O)N 34a_100000757172_100000183381 [0,0,0,0,0,2|2,0,0]=4 6566 B11R0.176 CCNC(=O)COCCC(=O)N 7a_100000757172_100000183381 [0,0,0,0,0,2|2,0,0]=4 6567 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000183381_100000761012 [0,0,0,0,0,2|2,0,0]=4 6568 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000761012_100000183381 [0,0,0,0,0,2|2,0,0]=4 6569 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,0,0,0,0,2|1,0,0]=3 6570 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,0,0,0,0,2|1,0,0]=3 6571 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000183381_100000744528 [0,0,0,0,0,2|2,0,0]=4 6572 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000744528_100000183381 [0,0,0,0,0,2|2,0,0]=4 6573 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000076356_100000183381 [0,0,0,0,0,2|1,0,0]=3 6574 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000183381_100000076356 [0,0,0,0,0,2|1,0,0]=3 6575 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100000739312_100015525214 [0,0,0,0,0,2|2,0,0]=4 6576 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100015525214_100000739312 [0,0,0,0,0,2|2,0,0]=4 6577 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100000739312_100015525214 [0,0,0,0,0,2|2,0,0]=4 6578 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100015525214_100000739312 [0,0,0,0,0,2|2,0,0]=4 6579 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_100015525214_200000753449 [0,0,0,0,0,2|2,0,0]=4 6580 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_200000753449_100015525214 [0,0,0,0,0,2|2,0,0]=4 6581 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_100015525214_200000753449 [0,0,0,0,0,2|2,0,0]=4 6582 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_200000753449_100015525214 [0,0,0,0,0,2|2,0,0]=4 6583 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_100015525214_200000753449 [0,0,0,0,0,2|2,0,0]=4 6584 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_200000753449_100015525214 [0,0,0,0,0,2|2,0,0]=4 6585 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100000209853_100015525214 [0,0,0,0,0,2|1,0,0]=3 6586 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100015525214_100000209853 [0,0,0,0,0,2|1,0,0]=3 6587 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100000209853_100015525214 [0,0,0,0,0,2|1,0,0]=3 6588 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100015525214_100000209853 [0,0,0,0,0,2|1,0,0]=3 6589 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100000209853_100015525214 [0,0,0,0,0,2|1,0,0]=3 6590 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100015525214_100000209853 [0,0,0,0,0,2|1,0,0]=3 6591 B11R0.176 CCNC(=O)NCCNC(=O)N 2708a_100015525214_100020590234 [0,0,0,0,0,2|2,0,0]=4 6592 B11R0.176 CCNC(=O)NCCNC(=O)N 273464a_100015525214_100020590234 [0,0,0,0,0,2|2,0,0]=4 6593 B11R0.176 CCNC(=O)NCCNC(=O)N 273464a_100020590234_100015525214 [0,0,0,0,0,2|2,0,0]=4 6594 B11R0.176 CCNC(=O)NCCNC(=O)N 512a_100015525214_100020590234 [0,0,0,0,0,2|2,0,0]=4 6595 B11R0.176 CCNC(=O)NCCNC(=O)N 512a_100020590234_100015525214 [0,0,0,0,0,2|2,0,0]=4 6596 B11R0.176 CCNC(=O)NCCOC(=O)C 2708a_100015525214_100000724843 [0,0,0,0,0,2|1,0,0]=3 6597 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100000724843_100015525214 [0,0,0,0,0,2|1,0,0]=3 6598 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100015525214_100000724843 [0,0,0,0,0,2|1,0,0]=3 6599 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100000724843_100015525214 [0,0,0,0,0,2|1,0,0]=3 6600 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100015525214_100000724843 [0,0,0,0,0,2|1,0,0]=3 6601 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100015525214_100020647217 [0,0,0,0,0,2|1,0,0]=3 6602 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100020647217_100015525214 [0,0,0,0,0,2|1,0,0]=3 6603 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100015525214_100020647217 [0,0,0,0,0,2|1,0,0]=3 6604 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100020647217_100015525214 [0,0,0,0,0,2|1,0,0]=3 6605 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100015525214_100020647217 [0,0,0,0,0,2|1,0,0]=3 6606 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100020647217_100015525214 [0,0,0,0,0,2|1,0,0]=3 6607 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,0,0,0,0,2|0,0,0]=2 6608 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,0,0,0,0,2|0,0,0]=2 6609 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,0,0,0,0,2|0,0,0]=2 6610 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,0,0,0,0,2|2,0,0]=4 6611 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,0,0,0,0,2|2,0,0]=4 6612 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,0,0,0,0,2|0,0,0]=2 6613 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,0,0,0,0,2|1,0,1]=4 6614 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,0,0,0,0,2|1,0,1]=4 6615 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,0,0,0,0,2|1,0,1]=4 6616 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,0,0,0,0,2|1,0,1]=4 6617 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,0,0,0,0,2|1,0,1]=4 6618 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,0,0,0,0,2|1,0,1]=4 6619 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,0,0,0,0,2|1,0,0]=3 6620 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,0,0,0,0,2|1,0,0]=3 6621 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,0,0,0,0,2|1,0,1]=4 6622 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,0,0,0,0,2|1,0,1]=4 6623 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,0,0,0,0,2|0,0,2]=4 6624 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,0,0,0,0,2|0,0,2]=4 6625 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,0,0,0,0,2|0,0,0]=2 6626 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,0,0,0,0,2|1,0,1]=4 6627 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,0,0,0,0,2|1,0,1]=4 6628 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,0,0,0,0,2|1,0,1]=4 6629 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,0,0,0,0,2|1,0,1]=4 6630 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,0,0,0,0,2|1,0,1]=4 6631 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,0,0,0,0,2|1,0,0]=3 6632 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,0,0,0,0,2|1,0,0]=3 6633 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,0,0,0,0,2|1,0,0]=3 6634 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,0,0,0,0,2|1,0,0]=3 6635 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,0,0,0,0,2|1,0,1]=4 6636 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,0,0,0,0,2|1,0,1]=4 6637 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,0,0,0,0,2|0,0,2]=4 6638 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,0,0,0,0,2|0,0,2]=4 6639 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,0,0,0,0,2|0,0,2]=4 6640 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,0,0,0,0,2|0,0,2]=4 6641 B11R0.176 CCOC(=O)CCSC[N+](=O)[O-] 62a_100000765890_100000761209 [0,0,0,0,0,2|2,0,0]=4 6642 B11R0.176 CCOC(=O)CNCC=C(C)C 34a_100000718196_100000188475 [0,0,0,0,0,2|1,0,0]=3 6643 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,0,0,0,0,2|0,0,2]=4 6644 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [0,0,0,0,0,2|1,0,0]=3 6645 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,0,0,0,0,2|1,0,0]=3 6646 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,0,0,0,0,2|0,0,0]=2 6647 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,0,0,0,0,2|0,0,0]=2 6648 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,0,0,0,0,2|0,0,0]=2 6649 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,0,0,0,0,2|1,0,0]=3 6650 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,0,0,0,0,2|1,0,0]=3 6651 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,0,0,0,0,2|1,0,1]=4 6652 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,0,0,0,0,2|1,0,1]=4 6653 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,0,0,0,0,2|1,0,1]=4 6654 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,0,0,0,0,2|2,0,0]=4 6655 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,0,0,0,0,2|2,0,0]=4 6656 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,0,0,0,0,2|1,0,1]=4 6657 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000188475_100000761012 [0,0,0,0,0,2|1,0,0]=3 6658 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000761012_100000188475 [0,0,0,0,0,2|1,0,0]=3 6659 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,0,0,0,0,2|0,0,0]=2 6660 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,0,0,0,0,2|0,0,0]=2 6661 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,0,0,0,0,2|1,0,0]=3 6662 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,0,0,0,0,2|1,0,0]=3 6663 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,0,0,0,0,2|1,0,1]=4 6664 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,0,0,0,0,2|1,0,1]=4 6665 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,0,0,0,0,2|0,0,2]=4 6666 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,0,0,0,0,2|0,0,2]=4 6667 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,0,0,0,0,2|2,0,0]=4 6668 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,0,0,0,0,2|0,0,0]=2 6669 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,0,0,0,0,2|0,0,0]=2 6670 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,0,0,0,0,2|1,0,1]=4 6671 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,0,0,0,0,2|1,0,1]=4 6672 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,0,0,0,0,2|1,0,1]=4 6673 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,0,0,0,0,2|1,0,1]=4 6674 B11R0.176 CCOC(=O)OCSCC(=O)N 62a_100000747473_100000075025 [0,0,0,0,0,2|1,0,0]=3 6675 B11R0.176 CCOC(=O)OCSCC(=O)[O-] 62a_100020667443_100000075025 [0,0,0,0,0,2|1,0,0]=3 6676 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,0,0,0,0,2|1,0,1]=4 6677 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,0,0,0,0,2|0,0,2]=4 6678 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,0,0,0,0,2|0,0,2]=4 6679 B11R0.176 CCOC(=O)[CH-]C=NNC(=O)C 4a_100000189765_100010622808 [0,0,0,0,0,2|0,0,2]=4 6680 B11R0.176 CNNC(=O)CCCNC(=O)C 22a_100016993582_100000194741 [0,0,0,0,0,2|2,0,0]=4 6681 B11R0.176 CNNC(=O)NCCNC(=O)C 273464a_100000209853_100016993582 [0,0,0,0,0,2|2,0,0]=4 6682 B11R0.176 CNNC(=O)NCCNC(=O)C 512a_100000209853_100016993582 [0,0,0,0,0,2|2,0,0]=4 6683 B11R0.176 CNNC(=O)NCCNC(=O)C 512a_100016993582_100000209853 [0,0,0,0,0,2|2,0,0]=4 6684 B11R0.176 CNNC(=O)NCCOC(=O)C 273464a_100000724843_100016993582 [0,0,0,0,0,2|2,0,0]=4 6685 B11R0.176 CNNC(=O)NCCOC(=O)C 512a_100000724843_100016993582 [0,0,0,0,0,2|2,0,0]=4 6686 B11R0.176 CNNC(=O)NCCOC(=O)C 512a_100016993582_100000724843 [0,0,0,0,0,2|2,0,0]=4 6687 B11R0.176 CNNC(=O)NCCSC(=O)C 273464a_100020647217_100016993582 [0,0,0,0,0,2|2,0,0]=4 6688 B11R0.176 CNNC(=O)NCCSC(=O)C 512a_100016993582_100020647217 [0,0,0,0,0,2|2,0,0]=4 6689 B11R0.176 CNNC(=O)NCCSC(=O)C 512a_100020647217_100016993582 [0,0,0,0,0,2|2,0,0]=4 6690 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,0,0,0,0,2|2,0,0]=4 6691 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,0,0,0,0,2|2,0,0]=4 6692 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,0,0,0,0,2|2,0,0]=4 6693 B11R0.176 COCC(=O)NCCNC(=O)C 240690a_100000209853_100000210968 [0,0,0,0,0,2|2,0,0]=4 6694 B11R0.176 COCC(=O)NCCNC(=O)C 527a_100000209853_100000210968 [0,0,0,0,0,2|2,0,0]=4 6695 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,0,0,0,0,2|2,0,0]=4 6696 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,0,0,0,0,2|2,0,0]=4 6697 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,0,0,0,0,2|2,0,0]=4 6698 B11R0.176 COCC(=O)NCCSC(=O)C 11a_100020647217_100000210968 [0,0,0,0,0,2|2,0,0]=4 6699 B11R0.176 COCC(=O)NCCSC(=O)C 240690a_100020647217_100000210968 [0,0,0,0,0,2|2,0,0]=4 6700 B11R0.176 COCC(=O)NCCSC(=O)C 527a_100020647217_100000210968 [0,0,0,0,0,2|2,0,0]=4 6701 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,0,0,0,0,2|2,0,0]=4 6702 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,0,0,0,0,2|2,0,0]=4 6703 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [0,0,0,0,0,2|2,0,0]=4 6704 B11R0.176 CSCC(=O)NCCNC(=O)C 240690a_100000209853_100000184570 [0,0,0,0,0,2|2,0,0]=4 6705 B11R0.176 CSCC(=O)NCCNC(=O)C 527a_100000209853_100000184570 [0,0,0,0,0,2|2,0,0]=4 6706 B11R0.176 CSCC(=O)NCCOC(=O)C 11a_100000724843_100000184570 [0,0,0,0,0,2|2,0,0]=4 6707 B11R0.176 CSCC(=O)NCCOC(=O)C 240690a_100000724843_100000184570 [0,0,0,0,0,2|2,0,0]=4 6708 B11R0.176 CSCC(=O)NCCOC(=O)C 527a_100000724843_100000184570 [0,0,0,0,0,2|2,0,0]=4 6709 B11R0.176 CSCC(=O)NCCSC(=O)C 11a_100020647217_100000184570 [0,0,0,0,0,2|2,0,0]=4 6710 B11R0.176 CSCC(=O)NCCSC(=O)C 240690a_100020647217_100000184570 [0,0,0,0,0,2|2,0,0]=4 6711 B11R0.176 CSCC(=O)NCCSC(=O)C 527a_100020647217_100000184570 [0,0,0,0,0,2|2,0,0]=4