0 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,0|1,0,0]=1 29 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,0|2,0,0]=2 50 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,0|1,0,0]=1 65 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,0|1,0,0]=1 83 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,0|1,0,1]=2 84 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,0|2,0,1]=3 89 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,0|1,0,1]=2 93 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,0,0|2,0,1]=3 101 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,0|2,0,0]=2 102 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,0|2,0,0]=2 103 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,0|2,0,0]=2 104 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,0|1,0,1]=2 105 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,0|1,0,1]=2 106 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,0|2,0,1]=3 110 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,0,0|2,0,1]=3 111 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,0,0|2,0,1]=3 113 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,0,0|2,0,1]=3 114 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,0|2,0,1]=3 117 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,0|2,0,0]=2 122 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,0|2,0,0]=2 123 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [0,0,0,0,0,0|4,0,0]=4 126 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,0|2,0,1]=3 130 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,0,0,0,0,0|2,0,2]=4 131 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,0,0,0,0,0|4,0,0]=4 133 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,0,0,0,0,0|4,0,0]=4 134 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,2]=4 135 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,2]=4 136 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 171 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 172 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|2,0,0]=3 174 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|2,0,0]=3 175 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|2,0,0]=3 176 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 186 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,0]=3 190 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|1,0,0]=2 215 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|1,0,1]=3 219 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|1,0,1]=3 220 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|1,0,1]=3 221 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|1,0,1]=3 222 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|1,0,0]=2 223 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|1,0,0]=2 232 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|1,0,0]=2 233 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|1,0,1]=3 236 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 241 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 242 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 243 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 246 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,2]=4 248 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,2]=4 249 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,0]=2 250 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,0]=2 251 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,0]=2 252 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 260 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 261 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 262 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 269 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 270 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,0]=2 271 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 283 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,0]=3 284 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,1]=3 285 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 293 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,0]=3 294 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,1]=3 295 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,1]=3 296 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|1,0,1]=3 309 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|1,0,1]=3 310 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|1,0,1]=3 315 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|1,0,1]=3 316 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 318 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|2,0,0]=3 323 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|2,0,0]=3 324 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,0,0,0,0|3,0,0]=4 332 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 333 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,0]=3 334 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,0]=3 335 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 336 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 337 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 340 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,0]=3 341 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|3,0,0]=4 342 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|2,0,0]=3 343 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|2,0,0]=3 345 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 347 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 349 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|3,0,0]=4 350 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 351 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 352 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|3,0,0]=4 353 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|3,0,0]=4 354 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 355 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|3,0,0]=4 356 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 363 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,0]=3 365 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|2,0,0]=3 366 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|2,0,0]=3 367 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 375 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 376 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 377 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 378 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 380 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|3,0,0]=4 381 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|3,0,0]=4 384 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|3,0,0]=4 386 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 387 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 388 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 389 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 393 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 394 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 396 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 397 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,1,0,0,0,0|1,0,2]=4 398 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|1,0,0]=2 400 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,0|2,0,0]=3 401 B8R0.9 C#CC(C)NCC(=O)N 2230a_100000707721_100000747473 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.9 C#CC(C)NCC(=O)N 34a_100000707721_100000187820 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,0,0,0,0|1,0,1]=3 404 B8R0.9 C#CC(C)NCC(=O)[O-] 34a_100000707721_100020667443 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.9 C#CC(C)SCC(=O)N 62a_200000035995_100000747473 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.9 C#CC(C)SCC(=O)[O-] 62a_200000035995_100020667443 [0,1,0,0,0,0|1,0,2]=4 408 B8R0.9 C#C[C@@H](C)OCC(=O)N 34a_100009815206_100000187820 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.9 C#C[C@@H](C)OCC(=O)N 7a_100009815206_100000187820 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.9 C#C[C@@H](C)OCC(=O)[O-] 34a_100009815206_100020667443 [0,1,0,0,0,0|1,0,2]=4 411 B8R0.9 C=C(C#N)CNC(C)C 2230a_100138425928_100000694840 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.9 C=C(C#N)CNC(C)C 34a_100138425928_100000694840 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.9 C=C(C#N)COC(C)C 34a_100000212225_100000694840 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.9 C=C(C#N)CSC(C)C 62a_100000210206_100000694840 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|1,0,2]=4 416 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|1,0,2]=4 417 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|1,0,2]=4 418 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|0,0,2]=3 419 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|1,0,2]=4 420 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 421 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 422 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 423 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,1,0,0,0,0|2,0,0]=3 424 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,0|1,0,2]=4 428 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,0,0,0,0|3,0,0]=4 429 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,1,0,0,0,0|3,0,0]=4 430 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,1,0,0,0,0|3,0,0]=4 435 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,0,0,0,0|3,0,0]=4 437 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,0,0,0,0|3,0,0]=4 438 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,1,0,0,0,0|3,0,0]=4 440 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,1,0,0,0,0|3,0,0]=4 441 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,0|3,0,0]=4 442 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,0|3,0,0]=4 443 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.9 C=C(F)CN[C@H](C)CO 2230a_100000737577_100009893438 [0,1,0,0,0,0|3,0,0]=4 445 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.9 C=C(F)COC(C)CF 34a_100016041109_100009893438 [0,1,0,0,0,0|3,0,0]=4 448 B8R0.9 C=C(F)COC(C)CF 7a_100016041109_100000042424 [0,1,0,0,0,0|3,0,0]=4 449 B8R0.9 C=C(F)COC(C)CN 34a_100000210904_100009893438 [0,1,0,0,0,0|3,0,0]=4 450 B8R0.9 C=C(F)COC(C)CO 34a_200010262243_100012180447 [0,1,0,0,0,0|3,0,0]=4 451 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,1,0,0,0,0|3,0,0]=4 452 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,1,0,0,0,0|3,0,0]=4 453 B8R0.9 C=C(F)CSC(C)CO 62a_100012180447_100000042424 [0,1,0,0,0,0|3,0,0]=4 454 B8R0.9 C=C(F)CSC(C)OC 62a_100000042424_100009879195 [0,1,0,0,0,0|3,0,0]=4 455 B8R0.9 C=C(F)CSC(C)OC 62a_100009879195_100000042424 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100000042424_100016084084 [0,1,0,0,0,0|3,0,0]=4 457 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100016084084_100000042424 [0,1,0,0,0,0|3,0,0]=4 458 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,0,0,0,0|1,0,2]=4 459 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,0|1,0,2]=4 460 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|1,0,0]=2 461 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|2,0,0]=3 462 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,0,0,0,0|2,0,0]=3 463 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,0,0,0,0|2,0,0]=3 464 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,0,0,0,0|1,0,1]=3 467 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,1,0,0,0,0|1,0,2]=4 471 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,0|0,0,2]=3 478 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,1,0,0,0,0|3,0,0]=4 479 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,0]=3 480 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,0|2,0,0]=3 481 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,0|2,0,0]=3 482 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,0,0,0,0|3,0,0]=4 483 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,0,0,0,0|3,0,0]=4 484 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,0,0,0,0|3,0,0]=4 485 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000711301_100000184139 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000737613_100000747473 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,0,0,0,0|1,0,1]=3 489 B8R0.9 CC(C#N)OCC(=O)N 34a_100011218135_100000187820 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.9 CC(C#N)OCC(=O)[O-] 34a_100011218135_100020667443 [0,1,0,0,0,0|1,0,2]=4 491 B8R0.9 CC(C#N)SCC(=O)N 62a_100000703298_100000747473 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.9 CC(C#N)SCC(=O)N 62a_100000747473_100000703298 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100000703298_100020667443 [0,1,0,0,0,0|1,0,2]=4 494 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100020667443_100000703298 [0,1,0,0,0,0|1,0,2]=4 495 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,0|1,0,2]=4 496 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|1,0,0]=2 497 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|0,0,0]=1 498 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|1,0,1]=3 500 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|1,0,1]=3 501 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|1,1,1]=4 502 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|1,1,1]=4 503 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|3,0,0]=4 504 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|1,0,0]=2 505 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|1,0,0]=2 506 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,1,0,0,0,0|2,0,1]=4 511 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,1,0,0,0,0|2,0,1]=4 513 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,1,0,0,0,0|1,0,2]=4 515 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,1,0,0,0,0|1,0,2]=4 516 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,1,0,0,0,0|1,0,2]=4 522 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,1,0,0,0,0|1,0,2]=4 523 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,0,0,0,0|2,0,0]=3 525 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,0|2,0,0]=3 526 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,0,0,0,0|1,0,2]=4 530 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,0|2,0,0]=3 531 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,1,0,0,0,0|1,0,2]=4 533 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,0,0,0,0|1,0,1]=3 542 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.9 CC(CF)OC[N+](=O)[O-] 34a_100016041109_100000761209 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|1,0,1]=3 547 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,0|2,0,1]=4 548 B8R0.9 CC(CN)OC[N+](=O)[O-] 34a_100000210904_100000761209 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,0,0,0,0|2,0,0]=3 551 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,0,0,0,0|2,0,0]=3 552 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,0,0,0,0|1,0,1]=3 553 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.9 CC(CO)SC[N+](=O)[O-] 62a_100012180447_100000761209 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|1,0,0]=2 556 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 557 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,0,0,0,0|2,0,1]=4 563 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,0|1,0,2]=4 568 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|1,0,2]=4 569 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|1,0,2]=4 570 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,0]=2 572 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,0]=2 573 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,0|2,0,0]=3 576 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|2,0,0]=3 579 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|2,0,0]=3 580 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 581 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 583 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|1,0,0]=2 589 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|1,0,0]=2 590 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,0|2,0,0]=3 594 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|1,0,0]=2 597 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,0,0,0,0|2,0,1]=4 598 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,0,0,0,0|2,0,1]=4 599 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,0|2,0,0]=3 603 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|2,0,0]=3 607 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|1,0,1]=3 609 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|1,0,1]=3 610 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,0|2,0,0]=3 626 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|3,0,0]=4 634 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 636 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|3,0,0]=4 637 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,0,0,0,0|2,0,0]=3 641 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,0|1,0,2]=4 646 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 647 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 648 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|1,0,2]=4 649 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 650 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 651 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 652 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|1,0,0]=2 657 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 658 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 659 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 660 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|2,0,0]=3 661 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 663 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 665 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 666 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|2,0,0]=3 671 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 672 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 673 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|2,0,0]=3 674 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 675 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 676 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|2,0,0]=3 677 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 678 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 679 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|2,0,0]=3 680 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|2,0,0]=3 681 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 685 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,0]=3 687 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,0|2,0,0]=3 689 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,0|2,0,0]=3 690 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,0,0,0,0|2,0,0]=3 707 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|1,0,1]=3 708 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|1,0,1]=3 709 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|1,0,0]=2 710 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|1,0,0]=2 711 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|1,0,0]=2 712 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|1,0,0]=2 713 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|1,0,0]=2 715 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|1,0,0]=2 716 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|1,0,0]=2 717 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|1,0,0]=2 718 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|1,0,0]=2 719 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|2,0,1]=4 721 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|1,0,1]=3 722 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|1,0,1]=3 723 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|1,0,1]=3 724 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|1,0,0]=2 726 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,1,0,0,0,0|1,0,1]=3 729 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,1,0,0,0,0|1,0,1]=3 730 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.9 COC(C)SC[N+](=O)[O-] 62a_100009879195_100000761209 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,0,0,0,0|2,0,0]=3 740 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|1,1,1]=4 743 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|1,1,1]=4 744 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,0,0,0,0|2,0,0]=3 745 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|1,0,0]=2 746 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,0,0,0,0|2,0,0]=3 748 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,0,0,0,0|2,0,0]=3 749 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,0,0,0,0|1,0,1]=3 750 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,0,0,0,0|1,0,1]=3 751 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.9 C[C@H](CO)SC[N+](=O)[O-] 62a_100016084084_100000761209 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,1,0,0,0,0|3,0,0]=4 762 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,1,0,0,0,0|3,0,0]=4 763 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.23 C=C(F)CN(C)C(C)C 269982a_200000211004_100009893438 [0,1,0,0,0,0|3,0,0]=4 765 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|1,0,0]=2 768 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,0|2,0,0]=3 769 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|2,0,0]=3 770 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|2,0,0]=3 771 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|2,0,0]=3 772 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,0|1,0,1]=3 774 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,0|2,0,0]=3 776 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,0|2,0,0]=3 777 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 778 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 779 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 780 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,0|2,0,0]=3 781 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|3,0,0]=4 782 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|3,0,0]=4 783 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,0|2,0,0]=3 785 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,0|2,0,0]=3 786 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,0|3,0,0]=4 788 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|1,0,0]=2 789 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,0|1,0,1]=3 790 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,0|1,0,1]=3 791 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,0|0,0,2]=3 792 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,0|1,0,2]=4 793 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,1,0,0,0,0|1,0,2]=4 794 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,0,0,0,0|0,0,3]=4 795 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,0|1,0,2]=4 796 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,0|1,0,2]=4 797 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 798 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 799 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 800 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 801 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|1,0,0]=2 804 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,0|2,0,0]=3 805 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,0|2,0,0]=3 806 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|1,0,0]=2 807 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,0|2,0,0]=3 808 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,0|1,0,1]=3 809 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.23 CC(C)N(C)C[N+](=O)[O-] 269982a_200000211004_100000761209 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,0,0|2,0,0]=3 815 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,0,0|2,0,0]=3 816 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,0,0|2,0,0]=3 817 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,0,0|1,0,1]=3 818 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|1,0,0]=2 819 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,0,0|2,0,0]=3 820 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,0,0|2,0,0]=3 821 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,0|1,0,1]=3 824 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,0|1,0,1]=3 825 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,0|2,0,0]=3 826 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,0|2,0,0]=3 827 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,0,0|2,0,0]=3 828 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,0,0|2,0,0]=3 829 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,0,0|1,0,1]=3 832 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,0,0|1,0,1]=3 833 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,0|2,0,0]=3 834 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,0,0,0,0|1,0,2]=4 837 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,0|1,0,2]=4 838 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,0|1,0,2]=4 845 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,0|1,0,2]=4 847 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,1,0,0,0,0|3,0,0]=4 851 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.29 C=C(F)CNC(C)(C)C 2230a_100000715429_100009893438 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.29 C=C(F)COC(C)(C)C 34a_100015890283_100009893438 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.29 C=C(F)COC(C)(C)C 34a_200010262243_100000210625 [0,1,0,0,0,0|3,0,0]=4 856 B8R0.29 C=C(F)COC(C)(C)C 7a_100015890283_100000042424 [0,1,0,0,0,0|3,0,0]=4 857 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000042424_100000211941 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000211941_100000042424 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,1,0,0,0,0|1,0,2]=4 860 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,0,0|1,0,0]=2 861 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,0,0|1,0,0]=2 862 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,0,0,0,0|2,0,0]=3 863 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,0,0|2,0,0]=3 868 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,0,0|1,1,0]=3 869 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,0,0|1,1,0]=3 870 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,0,0|2,0,0]=3 872 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,0,0|2,0,0]=3 874 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,0,0|2,0,0]=3 876 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,0,0|2,0,0]=3 877 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,0,0|2,0,0]=3 878 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,0,0|2,0,0]=3 879 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,0,0|2,0,0]=3 883 B8R0.29 CC(=O)NCC(C)(F)F 11a_100000731000_100015343762 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.29 CC(=O)NCC(C)(F)F 1626a_100000731000_100015343762 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.29 CC(=O)NCC(C)(F)F 240690a_100000731000_100015343762 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.29 CC(=O)NCC(C)(F)F 527a_100000731000_100103153847 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,1,0,0,0,0|2,1,0]=4 888 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,1,0,0,0,0|2,1,0]=4 889 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,1,0,0,0,0|2,1,0]=4 890 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,1,0,0,0,0|2,1,0]=4 891 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,1,0,0,0,0|1,0,2]=4 893 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,0,0|1,0,0]=2 894 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,0,0|1,0,0]=2 896 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,0,0|2,0,0]=3 899 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,0,0,0,0|1,0,1]=3 900 B8R0.29 CC(C)(C)OC[N+](=O)[O-] 34a_100015890283_100000761209 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,0,0,0,0|2,0,0]=3 903 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,0,0,0,0|1,0,1]=3 904 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,0,0,0,0|1,0,1]=3 905 B8R0.29 CC(C)(C)SC[N+](=O)[O-] 62a_100000211941_100000761209 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.29 CC(C)CNS(=O)(=O)C 40a_100000210953_100000738038 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.29 CC(C)NCS(=O)(=O)[O-] 34a_100138425928_100009817235 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.29 CC(C)OCS(=O)(=O)[O-] 34a_100000212225_100009817235 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.29 CC(C)SCS(=O)(=O)N 62a_100000210206_100000741382 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.29 CC(C)SCS(=O)(=O)N 62a_100000741382_100000210206 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.29 CC(C)SCS(=O)(=O)[O-] 62a_100000210206_100009817235 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.29 CC(C)SCS(=O)(=O)[O-] 62a_100009817235_100000210206 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,0,0,0,0|2,0,0]=3 919 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,1,0,0,0,0|2,0,1]=4 925 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100000750128_200000210301 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100102631434_100000731031 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100000750128_200000210301 [0,1,0,0,0,0|2,0,1]=4 931 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100102631434_100000731031 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.29 CN(C)CCS(=O)(=O)C 34a_100000750128_200000210301 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.29 CN(C)CCS(=O)(=O)[O-] 2230a_100102631434_100000737633 [0,1,0,0,0,0|2,0,1]=4 934 B8R0.29 CN([13CH3])CCS(=O)(=O)C 2230a_100000750128_200025704644 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.29 CN([13CH3])CCS(=O)(=O)C 269982a_100000750128_200025704644 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.29 CN([13CH3])CCS(=O)(=O)C 34a_100000750128_200025704644 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,1,0,0,0,0|3,0,0]=4 938 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,0,0|1,1,0]=3 944 B8R0.29 O=C(O)CNC(F)(F)F 269956a_100016091260_200000243211 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,1,0,0,0,0|3,0,0]=4 946 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 947 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 948 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 949 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 950 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 951 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 952 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 953 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 954 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 955 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 956 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 957 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 958 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 959 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 960 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 961 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 962 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 963 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 964 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,0,1,0,0|2,0,1]=4 965 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 967 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 968 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,0,1,0,0|2,0,1]=4 969 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,0,1,0,0|2,0,1]=4 970 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 971 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 972 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 976 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 977 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,0|3,0,0]=4 978 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,0,0|1,0,2]=4 979 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,0,0|1,0,2]=4 980 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|1,0,0]=2 981 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,0|2,0,0]=3 982 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,0|2,0,0]=3 983 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,0|2,0,0]=3 984 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,0|2,0,0]=3 985 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,0|2,0,0]=3 986 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,0,0,1,0,0|3,0,0]=4 987 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,0,0,1,0,0|3,0,0]=4 988 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,0,0,1,0,0|3,0,0]=4 989 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,0,0|3,0,0]=4 990 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,0,0|3,0,0]=4 991 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,0,0|3,0,0]=4 992 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,0|2,0,1]=4 993 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,0|2,0,0]=3 994 B8R1.23 CC(C)N1CC(C1)O 269982a_100000749847_100000210206 [0,0,0,1,0,0|2,0,1]=4 995 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|1,0,0]=2 996 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,0,0|2,0,0]=3 997 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,0|2,0,0]=3 999 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,0|2,0,0]=3 1000 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,0|2,0,1]=4 1001 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,0|2,0,0]=3 1002 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,0,0|2,0,0]=3 1003 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,0,0,1,0,0|3,0,0]=4 1004 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,0,1,0,0|3,0,0]=4 1005 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,0,0,1,0,0|3,0,0]=4 1006 B8R1.35 C=C(F)CNC1CC1 34a_100000212008_100009893438 [0,0,0,1,0,0|3,0,0]=4 1007 B8R1.35 C=C(F)COC1CC1 34a_200010262243_100000211595 [0,0,0,1,0,0|3,0,0]=4 1008 B8R1.35 C=C(F)CSC1CC1 62a_100000042424_100000211595 [0,0,0,1,0,0|3,0,0]=4 1009 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,0|1,0,2]=4 1010 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|1,0,0]=2 1011 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|1,0,0]=2 1012 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,1,0,0|2,0,0]=3 1013 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,0|2,0,0]=3 1014 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,0|2,0,0]=3 1015 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,0|2,0,0]=3 1016 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,0|2,0,0]=3 1017 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,0|2,0,0]=3 1018 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,1,0,0|3,0,0]=4 1019 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [0,0,0,1,0,0|2,0,1]=4 1020 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [0,0,0,1,0,0|2,0,1]=4 1021 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [0,0,0,1,0,0|2,0,1]=4 1022 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [0,0,0,1,0,0|2,0,1]=4 1023 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [0,0,0,1,0,0|2,0,1]=4 1024 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [0,0,0,1,0,0|2,0,1]=4 1025 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [0,0,0,1,0,0|2,0,1]=4 1026 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,0,0,1,0,0|2,0,1]=4 1029 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,0,0,1,0,0|2,0,1]=4 1030 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [0,0,0,1,0,0|3,0,0]=4 1031 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [0,0,0,1,0,0|3,0,0]=4 1032 B8R1.35 CN(C)CCC1CO1 2230a_100102631434_100000732470 [0,0,0,1,0,0|2,0,1]=4 1033 B8R1.35 CN(C)CCC1CO1 269982a_100102631434_100000732470 [0,0,0,1,0,0|2,0,1]=4 1034 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,0,0,1,0,0|2,0,1]=4 1035 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,0,0,1,0,0|2,0,1]=4 1036 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,0|2,0,0]=3 1037 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,0|2,0,0]=3 1038 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|1,0,0]=2 1039 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,0|1,0,1]=3 1040 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,0|1,0,1]=3 1041 B8R1.35 O=[N+]([O-])CNC1CC1 34a_100000212008_100000761209 [0,0,0,1,0,0|2,0,1]=4 1042 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,0|1,0,2]=4 1043 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|1,0,0]=2 1044 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 1045 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 1046 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,0,0,1,0,0|2,0,1]=4 1047 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,0,0,1,0,0|2,0,1]=4 1048 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 1049 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 1050 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,0,0,1,0,0|2,0,1]=4 1051 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,0,0,1,0,0|2,0,1]=4 1052 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,0,0,1,0,0|3,0,0]=4 1053 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|1,0,0]=2 1054 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|1,0,0]=2 1055 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,0,0,1,0,0|3,0,0]=4 1056 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,1,0|1,0,2]=4 1057 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,1,0|3,0,0]=4 1058 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,1,0|3,0,0]=4 1059 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,1,0|3,0,0]=4 1060 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,1,0|3,0,0]=4 1061 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,1,0|3,0,0]=4 1062 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,1,0|3,0,0]=4 1063 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,0,0,0,1,0|3,0,0]=4 1064 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,0,0,0,1,0|3,0,0]=4 1065 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,1,0|1,0,2]=4 1066 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,1,0|1,0,2]=4 1067 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,1,0|2,0,1]=4 1068 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,1,0|2,0,1]=4 1069 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,1,0|1,0,2]=4 1070 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,1,0|1,0,0]=2 1071 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,1,0|1,0,0]=2 1072 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,1,0|2,0,0]=3 1073 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,1,0|3,0,0]=4 1074 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,1,0|2,0,0]=3 1075 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,1,0|2,0,0]=3 1076 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,1,0|2,0,0]=3 1077 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,1,0|2,0,0]=3 1078 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,1,0|2,0,0]=3 1079 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,1,0|2,0,0]=3 1080 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,1,0|2,0,0]=3 1081 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,1,0|1,0,0]=2 1082 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,1,0|3,0,0]=4 1083 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,1,0|3,0,0]=4 1084 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,1,0|3,0,0]=4 1085 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,1,0|3,0,0]=4 1086 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,1,0|3,0,0]=4 1087 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,1,0|3,0,0]=4 1088 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,1,0|3,0,0]=4 1089 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,1,0|2,0,1]=4 1090 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,1,0|2,0,1]=4 1091 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,1,0|2,0,1]=4 1092 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,1,0|2,0,1]=4 1093 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,1,0|2,0,1]=4 1094 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,1,0|2,0,1]=4 1095 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,1,0|2,0,0]=3 1096 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,1,0|2,0,0]=3 1097 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,1,0|2,0,0]=3 1098 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,1,0|1,0,0]=2 1099 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,1,0|2,0,0]=3 1100 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,1,0|1,0,1]=3 1101 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,0,0,0,1,0|2,0,1]=4 1102 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,1,0|2,0,0]=3 1103 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,1,0|1,0,0]=2 1104 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,1,0|2,0,0]=3 1105 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,1,0|2,0,1]=4 1106 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,1,0|2,0,1]=4 1107 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,1,0|2,0,0]=3 1108 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,1,0|2,0,1]=4 1109 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,0,0,0,0,1|2,0,0]=3 1110 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,0,0,0,1|2,0,0]=3 1111 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,0,0,0,1|2,0,0]=3 1112 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,1|2,0,0]=3 1113 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,1|2,0,0]=3 1114 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,1|2,0,0]=3 1115 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,1|2,0,0]=3 1116 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,0,0,0,1|1,0,2]=4 1117 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,1|0,0,2]=3 1118 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,0,0,0,0,1|2,0,0]=3 1119 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,0,0,0,0,1|2,0,0]=3 1120 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,0,0,0,1|3,0,0]=4 1121 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,0,0,0,1|3,0,0]=4 1122 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,1|1,0,2]=4 1123 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,0,0,0,1|1,0,2]=4 1124 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,0,0,0,0,1|0,0,3]=4 1125 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,0,0,0,0,1|3,0,0]=4 1126 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,0,0,0,1|2,0,0]=3 1127 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,0,0,0,1|2,0,0]=3 1128 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,0,0,0,0,1|3,0,0]=4 1129 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,0,0,0,1|3,0,0]=4 1130 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,0,0,0,0,1|3,0,0]=4 1131 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,0,0,0,0,1|3,0,0]=4 1132 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,0,0,0,1|3,0,0]=4 1133 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,0,0,0,0,1|1,0,2]=4 1134 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,0,0,0,0,1|1,0,2]=4 1135 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,0,0,0,0,1|0,0,3]=4 1136 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,0,0,0,0,1|0,0,3]=4 1137 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,0,0,0,1|2,0,0]=3 1138 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,0,0,0,1|2,0,0]=3 1139 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,0,0,0,0,1|3,0,0]=4 1140 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,0,0,0,0,1|3,0,0]=4 1141 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,0,0,0,0,1|3,0,0]=4 1142 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,0,0,0,0,1|3,0,0]=4 1143 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,0,1|1,0,2]=4 1144 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,0,0,0,0,1|2,0,0]=3 1145 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,0,0,0,0,1|2,0,0]=3 1146 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,0,0,0,0,1|3,0,0]=4 1147 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,0,0,0,0,1|3,0,0]=4 1148 B8R0.28 C=C(F)COCC(C)Br 34a_100012180447_100009893438 [0,0,0,0,0,1|3,0,0]=4 1149 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,0,0,0,0,1|2,0,0]=3 1150 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,0,0,0,0,1|2,0,0]=3 1151 B8R0.28 C=C(F)COCC(C)F 34a_100015925927_100009893438 [0,0,0,0,0,1|3,0,0]=4 1152 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,0,0,0,0,1|3,0,0]=4 1153 B8R0.28 C=C(F)COC[C@@H](C)Cl 34a_100016084084_100009893438 [0,0,0,0,0,1|3,0,0]=4 1154 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [0,0,0,0,0,1|3,0,0]=4 1155 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,0,0,0,0,1|3,0,0]=4 1156 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,0,0,0,0,1|2,0,0]=3 1157 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,0,0,0,0,1|2,0,0]=3 1158 B8R0.28 C=C(F)CSCC(C)O 62a_100000042424_100011218427 [0,0,0,0,0,1|3,0,0]=4 1159 B8R0.28 C=C(F)CSCC(C)O 62a_100011218427_100000042424 [0,0,0,0,0,1|3,0,0]=4 1160 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100000042424_100009817552 [0,0,0,0,0,1|3,0,0]=4 1161 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100009817552_100000042424 [0,0,0,0,0,1|3,0,0]=4 1162 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,1|3,0,0]=4 1163 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,1|3,0,0]=4 1164 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 1165 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,1|2,0,1]=4 1166 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 1167 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,1|2,0,1]=4 1168 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,1|2,0,1]=4 1169 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,1|2,0,1]=4 1170 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,1|2,0,1]=4 1171 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,1|1,0,1]=3 1172 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,1|2,0,1]=4 1173 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,1|1,0,1]=3 1174 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,1|2,0,1]=4 1175 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,1|2,0,1]=4 1176 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,1|1,0,0]=2 1177 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,1|1,0,0]=2 1178 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,1|2,0,0]=3 1179 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,1|2,0,0]=3 1180 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,1|2,0,0]=3 1181 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,1|2,0,1]=4 1182 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,1|2,0,1]=4 1183 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,1|2,0,1]=4 1184 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,1|2,0,1]=4 1185 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,1|2,0,1]=4 1186 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,1|2,0,1]=4 1187 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,1|1,0,0]=2 1188 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,1|1,0,0]=2 1189 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,1|1,0,0]=2 1190 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,1|2,0,1]=4 1191 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,1|1,0,0]=2 1192 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,1|1,0,0]=2 1193 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,1|1,0,0]=2 1194 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,1|2,0,1]=4 1195 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,1|2,0,1]=4 1196 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,1|1,0,2]=4 1197 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,1|1,0,0]=2 1198 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,1|1,0,0]=2 1199 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,1|2,0,0]=3 1200 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,0,0,0,0,1|3,0,0]=4 1201 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,1|2,0,0]=3 1202 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,1|1,0,2]=4 1203 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,1|1,0,2]=4 1204 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,1|1,0,2]=4 1205 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,1|2,0,1]=4 1206 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,1|2,0,1]=4 1207 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,1|2,0,1]=4 1208 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,1|2,0,1]=4 1209 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,1|1,0,0]=2 1210 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,1|1,0,0]=2 1211 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,1|1,0,0]=2 1212 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,1|1,0,0]=2 1213 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,1|2,0,0]=3 1214 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,1|2,0,0]=3 1215 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,1|2,0,0]=3 1216 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,1|2,0,0]=3 1217 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,1|2,0,0]=3 1218 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,1|2,0,0]=3 1219 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,1|2,0,1]=4 1220 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,1|2,0,0]=3 1221 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,1|3,0,0]=4 1222 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,1|2,0,0]=3 1223 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,1|2,0,0]=3 1224 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,1|2,0,0]=3 1225 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,1|2,0,0]=3 1226 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,1|2,0,0]=3 1227 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,1|2,0,1]=4 1228 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,0,0,0,1|2,0,1]=4 1229 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,0,0,0,0,1|2,0,0]=3 1230 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,0,0,0,0,1|1,0,1]=3 1231 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,0,0,0,0,1|2,0,1]=4 1232 B8R0.28 CC(Br)COC[N+](=O)[O-] 34a_100012180447_100000761209 [0,0,0,0,0,1|2,0,1]=4 1233 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,1|1,0,1]=3 1234 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,1|1,0,0]=2 1235 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,0,0,0,0,1|3,0,0]=4 1236 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,0,0,0,0,1|3,0,0]=4 1237 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,0,0,0,1|2,0,1]=4 1238 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,0,0,0,1|2,0,1]=4 1239 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,0,0,0,1|2,0,1]=4 1240 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,0,0,0,1|2,0,1]=4 1241 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,0,0,0,1|2,0,1]=4 1242 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,0,0,0,1|2,0,1]=4 1243 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,0,0,0,1|2,0,1]=4 1244 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,1|1,0,0]=2 1245 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,1|1,0,0]=2 1246 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,1|1,0,0]=2 1247 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,1|0,0,0]=1 1248 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,1|0,0,1]=2 1249 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,0,0,0,1|2,0,1]=4 1250 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,0,0,0,1|2,0,1]=4 1251 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,0,0,0,1|2,0,1]=4 1252 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,0,0,0,1|1,0,1]=3 1253 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,0,0,0,1|1,0,1]=3 1254 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,0,0,0,1|1,0,1]=3 1255 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,0,0,0,1|1,0,1]=3 1256 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,0,0,0,1|1,0,1]=3 1257 B8R0.28 CC(C)CNCC(F)F 2230a_100000210953_100011934356 [0,0,0,0,0,1|2,0,1]=4 1258 B8R0.28 CC(C)CNCC(F)F 270004a_100000765723_100000210432 [0,0,0,0,0,1|2,0,1]=4 1259 B8R0.28 CC(C)CNCC(F)F 34a_100000210953_100011934356 [0,0,0,0,0,1|2,0,1]=4 1260 B8R0.28 CC(C)CNCC(F)F 34a_100000765723_100000210624 [0,0,0,0,0,1|2,0,1]=4 1261 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,0,0,0,1|1,0,1]=3 1262 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,0,0,0,1|1,0,1]=3 1263 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,0,0,0,0,1|1,0,1]=3 1264 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,1|1,0,0]=2 1265 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,1|1,0,0]=2 1266 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,1|0,0,1]=2 1267 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,0,0,0,1|2,0,1]=4 1268 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,0,0,0,1|2,0,1]=4 1269 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,0,0,0,1|2,0,1]=4 1270 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,0,0,0,1|1,0,1]=3 1271 B8R0.28 CC(C)COCC(F)F 34a_100000210257_100011934356 [0,0,0,0,0,1|2,0,1]=4 1272 B8R0.28 CC(C)COCC(F)F 34a_100000743014_100000210624 [0,0,0,0,0,1|2,0,1]=4 1273 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,0,0,0,1|2,0,1]=4 1274 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,0,0,0,1|2,0,1]=4 1275 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,0,0,0,1|1,0,1]=3 1276 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,0,0,0,0,1|1,0,1]=3 1277 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,1|1,0,0]=2 1278 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,1|1,0,0]=2 1279 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,1|0,0,1]=2 1280 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,1|0,0,1]=2 1281 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,0,0,0,1|2,0,1]=4 1282 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,0,0,0,1|1,0,1]=3 1283 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,0,0,0,1|1,0,1]=3 1284 B8R0.28 CC(C)CSCC(F)F 62a_100000210624_100011934356 [0,0,0,0,0,1|2,0,1]=4 1285 B8R0.28 CC(C)CSCC(F)F 62a_100011934356_100000210760 [0,0,0,0,0,1|2,0,1]=4 1286 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,0,0,0,1|1,0,1]=3 1287 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,0,0,0,1|1,0,1]=3 1288 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,0,0,0,0,1|1,0,1]=3 1289 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,1|1,0,0]=2 1290 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,1|1,0,0]=2 1291 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,1|1,0,0]=2 1292 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,1|1,0,0]=2 1293 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,1|1,0,0]=2 1294 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,1|1,0,0]=2 1295 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [0,0,0,0,0,1|2,0,1]=4 1296 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,0,0,0,1|3,0,0]=4 1297 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,0,0,0,1|3,0,0]=4 1298 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,0,0,0,1|2,0,1]=4 1299 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,1|1,0,0]=2 1300 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,1|1,0,0]=2 1301 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,0,0,0,1|3,0,0]=4 1302 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,0,0,0,1|3,0,0]=4 1303 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,0,0,0,1|3,0,0]=4 1304 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,0,0,0,0,1|2,0,0]=3 1305 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,0,0,0,0,1|1,0,1]=3 1306 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,0,0,0,0,1|2,0,1]=4 1307 B8R0.28 CC(F)COC[N+](=O)[O-] 34a_100015925927_100000761209 [0,0,0,0,0,1|2,0,1]=4 1308 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,0,0,0,0,1|2,0,1]=4 1309 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,0,0,0,0,1|2,0,1]=4 1310 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,0,0,0,1|1,0,1]=3 1311 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,0,0,0,1|1,0,1]=3 1312 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,0,0,0,1|1,0,1]=3 1313 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,0,0,0,1|1,0,1]=3 1314 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,0,0,0,1|1,0,1]=3 1315 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,0,0,0,1|1,0,1]=3 1316 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,1|2,0,0]=3 1317 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,1|2,0,0]=3 1318 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,1|2,0,0]=3 1319 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,1|1,0,0]=2 1320 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,1|1,0,1]=3 1321 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,0,0,0,0,1|2,0,1]=4 1322 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,0,0,0,0,1|2,0,1]=4 1323 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,0,0,0,0,1|2,0,1]=4 1324 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,0,0,0,0,1|2,0,1]=4 1325 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,0,0,0,0,1|2,0,1]=4 1326 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,0,0,0,0,1|2,0,1]=4 1327 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,0,0,0,0,1|2,0,1]=4 1328 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,0,0,0,0,1|2,0,1]=4 1329 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,0,0,0,0,1|2,0,1]=4 1330 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,1|2,0,0]=3 1331 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,1|2,0,0]=3 1332 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,1|1,0,1]=3 1333 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,1|1,0,1]=3 1334 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,0,0,0,0,1|2,0,1]=4 1335 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,0,0,0,0,1|2,0,1]=4 1336 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,0,0,0,0,1|2,0,1]=4 1337 B8R0.28 CC(O)CSC[N+](=O)[O-] 62a_100011218427_100000761209 [0,0,0,0,0,1|2,0,1]=4 1338 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,1|2,0,1]=4 1339 B8R0.28 CN(C)CCC=C(F)F 2230a_100102631434_200009816681 [0,0,0,0,0,1|3,0,0]=4 1340 B8R0.28 CN(C)CCC=C(F)F 269982a_100102631434_200009816681 [0,0,0,0,0,1|3,0,0]=4 1341 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,1|2,0,0]=3 1342 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,1|1,0,0]=2 1343 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,1|2,0,0]=3 1344 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,1|2,0,0]=3 1345 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,1|2,0,0]=3 1346 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,1|1,0,0]=2 1347 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,0,0,0,0,1|2,0,0]=3 1348 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,0,0,0,0,1|1,0,1]=3 1349 B8R0.28 C[C@@H](Cl)COC[N+](=O)[O-] 34a_100016084084_100000761209 [0,0,0,0,0,1|2,0,1]=4 1350 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,0,0,0,0,1|2,0,0]=3 1351 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,0,0,0,0,1|1,0,1]=3 1352 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,0,0,0,0,1|2,0,1]=4 1353 B8R0.28 C[C@@H](N)COC[N+](=O)[O-] 34a_100000737577_100000761209 [0,0,0,0,0,1|2,0,1]=4 1354 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,1|2,0,0]=3 1355 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,1|1,0,0]=2 1356 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,0,0,0,0,1|2,0,1]=4 1357 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,1|2,0,0]=3 1358 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,1|2,0,0]=3 1359 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,1|1,0,1]=3 1360 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,1|1,0,1]=3 1361 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,0,0,0,0,1|2,0,1]=4 1362 B8R0.28 C[C@@H](O)CSC[N+](=O)[O-] 62a_100009817552_100000761209 [0,0,0,0,0,1|2,0,1]=4 1363 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,0,1|2,0,1]=4 1364 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,0,0,0,0,1|3,0,0]=4 1365 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,0,0,0,0,1|3,0,0]=4 1366 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,0,0,0,0,1|3,0,0]=4 1367 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [0,0,0,0,0,1|3,0,0]=4 1368 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [0,0,0,0,0,1|3,0,0]=4 1369 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,0,0,0,0,1|2,0,0]=3 1370 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,0,0,0,1|3,0,0]=4 1371 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,0,1|2,0,1]=4 1372 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,0,0,0,0,1|2,0,1]=4 1373 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,0,0,0,0,1|2,0,1]=4 1374 B8R0.28 O=C([O-])CSCC(F)F 62a_100011934356_100020667443 [0,0,0,0,0,1|2,0,1]=4 1375 B8R0.28 O=C([O-])CSCC(F)F 62a_100020667443_100011934356 [0,0,0,0,0,1|2,0,1]=4 1376 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,1|2,0,1]=4 1377 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,1|2,0,1]=4 1378 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 1379 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 1380 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 1381 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 1382 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 1383 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 1384 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 1385 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 1386 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 1387 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1388 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1389 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1390 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,1]=4 1391 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,1]=4 1392 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,1]=4 1393 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 1394 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|2,0,0]=4 1395 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1396 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|2,0,0]=4 1397 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 1398 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 1399 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 1400 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1401 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1402 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1403 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1404 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1405 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1406 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 1407 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 1408 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 1409 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,1]=4 1410 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1411 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1412 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1413 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1414 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,1]=4 1415 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1416 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1417 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1418 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 1419 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 1420 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 1421 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 1422 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 1423 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 1424 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1425 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1426 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1427 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1428 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1429 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1430 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 1431 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 1432 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1433 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1434 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,1]=4 1435 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1436 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,1]=4 1437 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1438 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 1439 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1440 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1441 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 1442 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 1443 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,1]=4 1444 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,1]=4 1445 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 1446 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1447 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1448 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 1449 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 1450 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 1451 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,1]=4 1452 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,1]=4 1453 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 1454 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1455 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 1456 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1457 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1458 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1459 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1460 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1461 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1462 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 1463 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1464 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1465 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 1466 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 1467 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 1468 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 1469 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 1470 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 1471 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 1472 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|2,0,0]=4 1473 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|2,0,0]=4 1474 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|2,0,0]=4 1475 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|2,0,0]=4 1476 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 1477 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 1478 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1479 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1480 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 1481 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1482 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1483 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1484 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1485 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1486 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 1487 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1488 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1489 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1490 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 1491 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 1492 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 1493 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 1494 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 1495 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 1496 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 1497 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 1498 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 1499 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 1500 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 1501 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 1502 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 1503 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1504 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 1505 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 1506 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 1507 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 1508 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 1509 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 1510 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 1511 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 1512 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 1513 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 1514 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 1515 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,1,0,0,0,0|2,0,0]=4 1516 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,1,0,0,0,0|2,0,0]=4 1517 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [1,1,0,0,0,0|2,0,0]=4 1518 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|2,0,0]=4 1519 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,2]=4 1520 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1521 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1522 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1523 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|2,0,0]=4 1525 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,1,0,0,0,0|1,0,1]=4 1526 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,1,0,0,0,0|1,0,1]=4 1527 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,1,0,0,0,0|1,0,1]=4 1528 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,1,0,0,0,0|1,0,1]=4 1529 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,1,0,0,0,0|1,0,1]=4 1530 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,1,0,0,0,0|1,0,1]=4 1531 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,1,0,0,0,0|1,0,1]=4 1532 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 1533 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 1534 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 1535 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|0,0,2]=4 1536 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,0]=3 1537 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,0]=3 1538 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,0]=3 1539 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 1540 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 1541 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 1542 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|2,0,0]=4 1543 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,0]=3 1544 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,0]=3 1545 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1546 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|2,0,0]=4 1547 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,1,0,0,0,0|2,0,0]=4 1548 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,1,0,0,0,0|2,0,0]=4 1549 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,1,0,0,0,0|2,0,0]=4 1550 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,0]=3 1551 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,0]=3 1552 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|2,0,0]=4 1553 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,1,0,0,0,0|1,0,1]=4 1554 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,0]=3 1555 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,0]=3 1556 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [1,1,0,0,0,0|1,0,1]=4 1557 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [1,1,0,0,0,0|1,0,1]=4 1558 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [1,1,0,0,0,0|1,0,1]=4 1560 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [1,1,0,0,0,0|1,0,1]=4 1562 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [1,1,0,0,0,0|1,0,1]=4 1563 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1564 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1565 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|2,0,0]=4 1566 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1567 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1568 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|2,0,0]=4 1569 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1570 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|2,0,0]=4 1571 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|2,0,0]=4 1572 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [1,1,0,0,0,0|1,0,1]=4 1573 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [1,1,0,0,0,0|1,0,1]=4 1574 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|1,0,0]=3 1575 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,1,0,0,0,0|2,0,0]=4 1576 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,1,0,0,0,0|2,0,0]=4 1577 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,1,0,0,0,0|2,0,0]=4 1578 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|2,0,0]=4 1579 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [1,1,0,0,0,0|1,0,1]=4 1581 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [1,1,0,0,0,0|1,0,1]=4 1582 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,1,0,0,0,0|0,0,2]=4 1583 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [1,1,0,0,0,0|1,0,1]=4 1584 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [1,1,0,0,0,0|1,0,1]=4 1585 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,2]=4 1586 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,0]=3 1587 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|2,0,0]=4 1592 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|2,0,0]=4 1593 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,1,0,0,0,0|1,0,1]=4 1594 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,1,0,0,0,0|1,0,1]=4 1595 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|0,0,2]=4 1596 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|1,0,0]=3 1597 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|1,0,0]=3 1598 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|1,0,0]=3 1599 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|1,0,0]=3 1600 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|1,0,0]=3 1601 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 1602 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [1,1,0,0,0,0|2,0,0]=4 1603 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 1604 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [1,1,0,0,0,0|2,0,0]=4 1605 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [1,1,0,0,0,0|2,0,0]=4 1606 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,1,0,0,0,0|2,0,0]=4 1607 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,1,0,0,0,0|2,0,0]=4 1608 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [1,1,0,0,0,0|2,0,0]=4 1609 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [1,1,0,0,0,0|2,0,0]=4 1610 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,1,0,0,0,0|2,0,0]=4 1611 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,1,0,0,0,0|2,0,0]=4 1612 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1613 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1614 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [1,1,0,0,0,0|2,0,0]=4 1615 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,1,0,0,0,0|2,0,0]=4 1616 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|2,0,0]=4 1617 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|2,0,0]=4 1618 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|2,0,0]=4 1619 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [1,1,0,0,0,0|2,0,0]=4 1620 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,1,0,0,0,0|0,0,2]=4 1624 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [1,1,0,0,0,0|1,0,1]=4 1625 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [1,1,0,0,0,0|1,0,1]=4 1626 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [1,1,0,0,0,0|1,0,1]=4 1627 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [1,1,0,0,0,0|1,0,1]=4 1628 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1629 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1630 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,0]=3 1631 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,0]=3 1632 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,1,0,0,0,0|1,0,1]=4 1634 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,0]=3 1635 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 1636 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1637 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1638 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|1,0,1]=4 1639 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|1,0,1]=4 1640 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|1,0,0]=3 1641 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 1642 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,2]=4 1643 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|2,0,0]=4 1644 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|2,0,0]=4 1645 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|2,0,0]=4 1646 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|2,0,0]=4 1647 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|2,0,0]=4 1648 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|2,0,0]=4 1649 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|2,0,0]=4 1650 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|2,0,0]=4 1651 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|2,0,0]=4 1652 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|1,0,0]=3 1654 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|1,0,1]=4 1655 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|1,0,1]=4 1656 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|1,0,1]=4 1657 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|1,0,0]=3 1658 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,1]=4 1659 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,0]=3 1660 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,0]=3 1661 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,1]=4 1662 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,1]=4 1663 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,0]=3 1664 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,0]=3 1665 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,0]=3 1666 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,0]=2 1667 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,0]=3 1668 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1669 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1670 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1671 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 1676 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1682 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|1,0,1]=4 1684 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|1,0,1]=4 1685 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|1,0,1]=4 1686 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1687 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1688 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1689 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1690 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 1691 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 1692 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 1693 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1694 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1695 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1696 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1697 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 1698 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|1,0,1]=4 1699 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|1,0,1]=4 1701 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1703 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1704 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,0]=3 1705 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 1706 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|2,0,0]=4 1707 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|2,0,0]=4 1708 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|2,0,0]=4 1709 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|2,0,0]=4 1710 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 1711 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 1712 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|2,0,0]=4 1713 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|2,0,0]=4 1714 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 1715 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 1716 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|2,0,0]=4 1717 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|2,0,0]=4 1718 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|2,0,0]=4 1719 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|2,0,0]=4 1720 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|2,0,0]=4 1721 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 1722 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 1723 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 1724 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|2,0,0]=4 1725 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|2,0,0]=4 1726 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,0]=3 1727 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,0]=3 1728 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [1,1,0,0,0,0|1,0,1]=4 1729 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1730 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|2,0,0]=4 1732 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1733 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1734 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1735 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|2,0,0]=4 1736 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1737 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1738 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|2,0,0]=4 1739 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1740 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1741 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1742 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1743 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|2,0,0]=4 1744 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1745 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|2,0,0]=4 1746 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|2,0,0]=4 1747 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|2,0,0]=4 1748 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1749 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1750 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1751 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 1752 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1753 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1754 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,0]=3 1755 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1756 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1757 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1758 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|1,0,0]=3 1759 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|1,0,0]=3 1760 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|1,0,0]=3 1761 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|1,0,0]=3 1762 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|2,0,0]=4 1763 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|2,0,0]=4 1764 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|2,0,0]=4 1765 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|2,0,0]=4 1766 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 1767 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 1768 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|2,0,0]=4 1769 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|1,0,0]=3 1770 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|1,0,0]=3 1771 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|1,0,1]=4 1772 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1774 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|2,0,0]=4 1775 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,0]=3 1776 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|1,0,0]=3 1777 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|2,0,0]=4 1779 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,0]=3 1780 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|1,0,0]=3 1781 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|1,0,0]=3 1783 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|1,0,0]=3 1784 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|1,0,1]=4 1785 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 1786 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,0,0]=3 1788 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,0,0]=3 1789 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 1791 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 1792 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|1,0,1]=4 1795 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1796 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1797 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [1,1,0,0,0,0|1,0,1]=4 1798 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [1,1,0,0,0,0|1,0,1]=4 1799 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [1,1,0,0,0,0|1,0,1]=4 1802 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [1,1,0,0,0,0|1,0,1]=4 1803 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [1,1,0,0,0,0|1,0,1]=4 1804 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|0,0,2]=4 1805 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [1,1,0,0,0,0|1,0,1]=4 1807 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [1,1,0,0,0,0|1,0,1]=4 1809 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [1,1,0,0,0,0|1,0,1]=4 1810 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [1,1,0,0,0,0|1,0,1]=4 1811 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,1,0,0,0,0|1,0,1]=4 1812 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,1,0,0,0,0|1,0,1]=4 1813 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,1,0,0,0,0|1,0,1]=4 1814 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|1,0,1]=4 1815 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,1,0,0,0,0|2,0,0]=4 1817 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|2,0,0]=4 1818 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|2,0,0]=4 1819 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|2,0,0]=4 1820 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|2,0,0]=4 1821 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|2,0,0]=4 1822 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,1,0,0,0,0|0,0,2]=4 1823 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|2,0,0]=4 1824 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|2,0,0]=4 1825 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,1,0,0,0,0|0,0,2]=4 1826 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,1,0,0,0,0|0,0,2]=4 1827 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|2,0,0]=4 1828 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|2,0,0]=4 1829 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|2,0,0]=4 1830 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|2,0,0]=4 1831 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|2,0,0]=4 1832 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|2,0,0]=4 1833 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 1835 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 1836 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [1,1,0,0,0,0|2,0,0]=4 1837 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [1,1,0,0,0,0|2,0,0]=4 1838 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [1,1,0,0,0,0|1,0,0]=3 1839 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [1,1,0,0,0,0|1,0,0]=3 1840 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [1,1,0,0,0,0|1,0,0]=3 1841 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [1,1,0,0,0,0|1,0,0]=3 1842 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [1,1,0,0,0,0|1,0,0]=3 1843 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,1,0,0,0,0|1,0,0]=3 1844 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,1,0,0,0,0|1,0,0]=3 1845 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|0,0,2]=4 1846 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [1,1,0,0,0,0|1,0,0]=3 1847 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [1,1,0,0,0,0|1,0,0]=3 1848 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [1,1,0,0,0,0|1,0,0]=3 1849 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [1,1,0,0,0,0|1,0,0]=3 1850 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,1,0,0,0,0|2,0,0]=4 1851 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,1,0,0,0,0|2,0,0]=4 1853 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,1,0,0,0,0|2,0,0]=4 1854 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [1,1,0,0,0,0|2,0,0]=4 1855 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [1,1,0,0,0,0|1,0,0]=3 1856 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [1,1,0,0,0,0|1,0,0]=3 1857 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [1,1,0,0,0,0|2,0,0]=4 1858 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,1,0,0,0,0|2,0,0]=4 1859 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [1,1,0,0,0,0|2,0,0]=4 1860 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [1,1,0,0,0,0|2,0,0]=4 1861 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,1,0,0,0,0|2,0,0]=4 1862 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,1,0,0,0,0|1,0,0]=3 1863 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,1,0,0,0,0|1,0,0]=3 1864 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,1,0,0,0,0|2,0,0]=4 1866 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,1,0,0,0,0|2,0,0]=4 1867 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,1,0,0,0,0|2,0,0]=4 1868 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [1,1,0,0,0,0|2,0,0]=4 1869 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [1,1,0,0,0,0|2,0,0]=4 1870 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|1,0,1]=4 1871 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|1,0,1]=4 1872 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,0]=3 1873 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 1874 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 1875 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1876 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1877 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,0,0]=3 1878 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,0,0]=3 1879 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1880 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1881 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 1882 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 1883 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|1,0,1]=4 1884 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|2,0,0]=4 1885 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|2,0,0]=4 1886 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|2,0,0]=4 1887 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1888 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1889 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1890 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 1891 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1892 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|2,0,0]=4 1893 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1894 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|2,0,0]=4 1895 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1896 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|2,0,0]=4 1897 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1898 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|2,0,0]=4 1899 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [1,1,0,0,0,0|1,0,0]=3 1900 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 1901 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 1902 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 1903 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|0,0,1]=3 1904 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|0,0,1]=3 1905 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|0,1,1]=4 1906 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|0,1,1]=4 1907 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,1,0,0,0,0|1,0,1]=4 1908 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,1,0,0,0,0|1,0,1]=4 1909 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,1,0,0,0,0|1,0,1]=4 1910 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,1,0,0,0,0|1,0,1]=4 1911 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [1,1,0,0,0,0|1,0,1]=4 1912 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,1,0,0,0,0|0,0,0]=2 1913 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,1,0,0,0,0|0,0,0]=2 1914 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,1,0,0,0,0|1,0,1]=4 1915 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,1,0,0,0,0|1,0,1]=4 1916 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,1,0,0,0,0|1,0,1]=4 1917 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,1,0,0,0,0|0,0,1]=3 1918 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,1,0,0,0,0|0,0,1]=3 1919 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,1,0,0,0,0|0,0,1]=3 1920 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,1,0,0,0,0|0,0,1]=3 1921 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,1,0,0,0,0|0,0,1]=3 1922 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,1,0,0,0,0|0,0,0]=2 1923 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,1,0,0,0,0|1,0,1]=4 1924 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,1,0,0,0,0|1,0,1]=4 1925 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,1,0,0,0,0|1,0,1]=4 1926 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|0,0,1]=3 1927 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [1,1,0,0,0,0|1,0,1]=4 1928 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [1,1,0,0,0,0|1,0,1]=4 1929 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|0,0,0]=2 1930 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|0,0,0]=2 1931 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,1,0,0,0,0|1,0,1]=4 1932 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,1,0,0,0,0|1,0,1]=4 1933 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|0,0,1]=3 1934 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|0,0,1]=3 1935 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [1,1,0,0,0,0|1,0,1]=4 1936 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,1,0,0,0,0|1,0,1]=4 1937 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,1,0,0,0,0|1,0,1]=4 1938 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,1,0,0,0,0|1,0,1]=4 1939 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,1,0,0,0,0|1,0,1]=4 1940 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,1,0,0,0,0|0,0,1]=3 1941 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,1,0,0,0,0|0,0,1]=3 1942 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,1,0,0,0,0|1,0,1]=4 1943 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|1,0,1]=4 1944 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|1,0,1]=4 1945 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|1,0,1]=4 1946 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|1,0,1]=4 1947 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|1,0,1]=4 1948 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|0,0,1]=3 1949 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,1,0,0,0,0|2,0,0]=4 1950 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,1,0,0,0,0|2,0,0]=4 1951 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [1,1,0,0,0,0|1,0,1]=4 1952 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 1953 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 1954 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|2,0,0]=4 1955 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|2,0,0]=4 1956 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [1,1,0,0,0,0|1,0,1]=4 1957 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [1,1,0,0,0,0|1,0,1]=4 1958 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,1,0,0,0,0|1,0,1]=4 1959 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,1,0,0,0,0|1,0,1]=4 1960 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,1,0,0,0,0|0,0,1]=3 1961 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,1,0,0,0,0|0,0,1]=3 1962 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 1963 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 1964 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,1,0,0,0,0|1,0,1]=4 1965 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,1,0,0,0,0|1,0,1]=4 1966 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,1,0,0,0,0|2,0,0]=4 1968 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [1,1,0,0,0,0|1,0,0]=3 1969 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|1,0,1]=4 1970 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 1972 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,1,0,0,0,0|1,0,0]=3 1973 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,0]=3 1974 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 1977 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,1,0,0,0,0|1,0,1]=4 1978 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,1,0,0,0,0|1,0,0]=3 1979 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,1,0,0,0,0|1,0,0]=3 1980 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|1,0,1]=4 1981 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|1,0,1]=4 1982 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1983 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1984 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 1985 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 1986 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 1987 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,1,0,0,0,0|1,0,1]=4 1988 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|1,0,1]=4 1989 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|1,0,1]=4 1990 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|1,0,1]=4 1991 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|1,0,1]=4 1992 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|1,0,1]=4 1993 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1994 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1995 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,0]=3 1996 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1997 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1998 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1999 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2000 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2001 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,0]=3 2002 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|1,0,1]=4 2003 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|1,0,1]=4 2004 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|1,0,1]=4 2005 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|1,0,1]=4 2006 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2007 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,1]=4 2008 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2009 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2010 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,1]=4 2011 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,0]=3 2012 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,0]=2 2013 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 2014 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|1,0,1]=4 2015 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 2016 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 2017 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 2018 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|2,0,0]=4 2019 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|1,0,0]=3 2020 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|1,0,0]=3 2021 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 2022 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|1,0,0]=3 2023 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|0,0,1]=3 2024 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|1,0,1]=4 2025 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|1,0,1]=4 2026 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|1,0,1]=4 2027 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|1,0,1]=4 2028 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,1,0,0,0,0|1,0,1]=4 2029 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|1,0,0]=3 2030 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,0]=3 2031 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,0]=3 2032 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|1,0,0]=3 2033 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|0,0,1]=3 2034 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|0,0,1]=3 2035 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|1,0,1]=4 2036 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|1,0,1]=4 2037 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|1,0,1]=4 2038 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|1,0,1]=4 2039 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|1,0,1]=4 2040 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|1,0,1]=4 2041 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|1,0,1]=4 2042 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,0]=3 2043 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|1,0,1]=4 2044 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|1,0,1]=4 2045 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|1,0,1]=4 2046 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|1,0,1]=4 2047 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,0]=3 2048 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,0]=3 2049 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,0]=3 2050 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 2051 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 2052 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2053 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,0]=3 2054 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2055 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,0]=3 2056 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 2057 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,1]=4 2058 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 2059 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,1]=4 2060 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|2,0,0]=4 2061 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,0]=3 2062 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,0]=3 2063 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,0]=3 2064 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,0]=3 2065 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,0]=3 2066 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,0]=3 2067 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,0]=3 2068 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,1]=4 2069 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,1]=4 2070 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,1]=4 2071 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,1]=4 2072 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,1,0,0,0,0|1,0,0]=3 2075 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,1,0,0,0,0|1,0,0]=3 2076 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,1,0,0,0,0|1,0,1]=4 2077 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,1,0,0,0,0|1,0,1]=4 2078 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,1,0,0,0,0|1,0,1]=4 2079 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,1,0,0,0,0|1,0,1]=4 2080 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,1,0,0,0,0|1,0,1]=4 2081 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,1,0,0,0,0|1,0,1]=4 2082 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,0]=3 2083 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,0]=3 2084 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,0]=3 2085 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,0]=3 2086 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,0]=3 2087 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 2088 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 2089 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|1,0,1]=4 2090 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 2091 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 2092 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 2093 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|1,0,1]=4 2094 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 2095 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|2,0,0]=4 2096 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|2,0,0]=4 2097 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 2098 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 2099 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2100 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2101 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2102 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|2,0,0]=4 2103 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|2,0,0]=4 2104 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 2105 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 2106 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2107 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,1,0,0,0,0|2,0,0]=4 2108 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2109 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,1,0,0,0,0|2,0,0]=4 2110 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,1,0,0,0,0|2,0,0]=4 2111 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2112 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 2113 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2114 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,1,0,0,0,0|2,0,0]=4 2115 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 2116 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,0]=3 2117 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,0]=3 2118 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 2119 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,0]=3 2120 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 2121 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 2122 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,0]=3 2123 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|0,0,1]=3 2124 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|0,0,1]=3 2125 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|0,0,1]=3 2126 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|1,0,1]=4 2127 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,1,0,0,0,0|1,0,1]=4 2128 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,1,0,0,0,0|1,0,1]=4 2129 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,1,0,0,0,0|1,0,1]=4 2130 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,1,0,0,0,0|1,0,1]=4 2131 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,1,0,0,0,0|1,0,1]=4 2132 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,1,0,0,0,0|1,0,1]=4 2133 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,1,0,0,0,0|1,0,1]=4 2134 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 2135 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 2136 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|2,0,0]=4 2137 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|2,0,0]=4 2138 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 2139 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,1,0,0,0,0|1,0,1]=4 2140 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,1,0,0,0,0|1,0,1]=4 2141 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2142 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,1,0,0,0,0|1,0,1]=4 2143 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|2,0,0]=4 2144 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 2145 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2146 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|1,0,1]=4 2147 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 2148 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|1,0,1]=4 2149 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|1,0,1]=4 2150 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 2151 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,1,0,0,0,0|1,0,1]=4 2152 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,1,0,0,0,0|1,0,1]=4 2153 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,1,0,0,0,0|1,0,1]=4 2154 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,1,0,0,0,0|1,0,1]=4 2155 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,1,0,0,0,0|1,0,1]=4 2156 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 2157 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,0]=3 2158 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,1,0,0,0,0|1,0,1]=4 2159 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 2160 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 2161 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|1,0,1]=4 2162 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|1,0,1]=4 2163 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,1,0,0,0,0|1,0,1]=4 2164 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|2,0,0]=4 2166 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,0,0]=3 2167 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,0,0]=3 2168 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,0,0]=3 2169 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 2170 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 2171 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,0,0]=3 2172 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|0,1,1]=4 2173 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|0,1,1]=4 2174 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 2175 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 2176 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 2177 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 2178 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 2179 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|2,0,0]=4 2180 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2181 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|2,0,0]=4 2182 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 2183 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 2184 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,1,0,0,0,0|2,0,0]=4 2185 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,1,0,0,0,0|2,0,0]=4 2186 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,1,0,0,0,0|2,0,0]=4 2187 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|2,0,0]=4 2188 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|2,0,0]=4 2189 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 2190 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 2191 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|2,0,0]=4 2192 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|2,0,0]=4 2193 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|2,0,0]=4 2194 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|2,0,0]=4 2196 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,1,0,0,0,0|2,0,0]=4 2197 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,1,0,0,0,0|2,0,0]=4 2198 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,1,0,0,0,0|2,0,0]=4 2199 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,1,0,0,0,0|2,0,0]=4 2200 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 2201 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,0]=3 2202 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 2203 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 2204 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|2,0,0]=4 2205 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|2,0,0]=4 2206 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 2207 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 2208 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|1,0,1]=4 2209 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|1,0,1]=4 2210 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|2,0,0]=4 2211 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|2,0,0]=4 2212 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [1,1,0,0,0,0|1,0,0]=3 2213 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 2214 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [1,1,0,0,0,0|1,0,0]=3 2215 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 2216 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,1,0,0,0,0|1,0,1]=4 2218 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,1,0,0,0,0|1,0,0]=3 2219 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,1,0,0,0,0|1,0,0]=3 2220 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2221 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|1,0,1]=4 2222 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 2223 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2224 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2225 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 2226 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 2227 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 2228 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 2229 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|2,0,0]=4 2230 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|2,0,0]=4 2231 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|2,0,0]=4 2232 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 2233 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 2234 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 2235 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|2,0,0]=4 2236 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|2,0,0]=4 2237 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 2238 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 2239 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,0]=3 2240 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,0]=3 2241 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 2242 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|1,0,1]=4 2243 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|1,0,1]=4 2244 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 2245 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|1,0,1]=4 2246 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|1,0,1]=4 2247 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 2248 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|1,0,1]=4 2249 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|1,0,1]=4 2250 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [1,1,0,0,0,0|2,0,0]=4 2251 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [1,1,0,0,0,0|2,0,0]=4 2252 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [1,1,0,0,0,0|2,0,0]=4 2253 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [1,1,0,0,0,0|2,0,0]=4 2254 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|1,0,1]=4 2255 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 2256 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|2,0,0]=4 2257 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,0]=3 2258 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2259 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,1,0,0,0,0|1,0,1]=4 2260 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 2261 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2262 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 2263 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 2264 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 2265 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 2266 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 2267 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 2268 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,1]=4 2269 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,1]=4 2270 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 2271 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 2272 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [1,1,0,0,0,0|2,0,0]=4 2275 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 2276 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|2,0,0]=4 2278 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2279 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2280 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|0,0,2]=4 2281 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|0,0,2]=4 2282 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2283 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2284 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|1,0,0]=3 2285 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [1,1,0,0,0,0|1,0,1]=4 2286 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2287 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [1,1,0,0,0,0|1,0,1]=4 2288 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2289 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [1,1,0,0,0,0|1,0,1]=4 2290 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|2,0,0]=4 2293 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [1,1,0,0,0,0|1,0,1]=4 2294 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [1,1,0,0,0,0|1,0,1]=4 2295 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [1,1,0,0,0,0|1,0,1]=4 2296 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [1,1,0,0,0,0|1,0,1]=4 2297 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [1,1,0,0,0,0|1,0,1]=4 2298 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [1,1,0,0,0,0|1,0,1]=4 2299 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,0]=3 2300 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,0]=3 2301 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2302 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2303 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 2304 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 2305 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 2306 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|2,0,0]=4 2307 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|1,0,0]=3 2308 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|1,0,0]=3 2309 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|2,0,0]=4 2310 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|2,0,0]=4 2311 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,1,0,0,0,0|2,0,0]=4 2312 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,0]=3 2313 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 2314 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 2315 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|2,0,0]=4 2316 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|2,0,0]=4 2317 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|2,0,0]=4 2318 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|2,0,0]=4 2319 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,1,0,0,0,0|2,0,0]=4 2320 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,1,0,0,0,0|1,0,1]=4 2321 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|1,0,1]=4 2322 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 2323 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 2324 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2325 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|2,0,0]=4 2326 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|2,0,0]=4 2327 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|2,0,0]=4 2328 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|2,0,0]=4 2329 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2330 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,1,0,0,0,0|2,0,0]=4 2331 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2332 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,1,0,0,0,0|1,0,1]=4 2333 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,1,0,0,0,0|1,0,1]=4 2334 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,0]=3 2335 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,0]=3 2336 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2337 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2338 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|2,0,0]=4 2339 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|2,0,0]=4 2340 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2341 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2342 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|2,0,0]=4 2343 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 2344 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|2,0,0]=4 2345 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2346 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2347 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,1,0,0,0,0|2,0,0]=4 2348 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,0]=3 2349 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 2350 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [1,1,0,0,0,0|2,0,0]=4 2351 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [1,1,0,0,0,0|2,0,0]=4 2352 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [1,1,0,0,0,0|2,0,0]=4 2353 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [1,1,0,0,0,0|2,0,0]=4 2354 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [1,1,0,0,0,0|2,0,0]=4 2355 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [1,1,0,0,0,0|2,0,0]=4 2356 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|2,0,0]=4 2357 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|2,0,0]=4 2358 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|2,0,0]=4 2359 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|2,0,0]=4 2360 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|1,0,0]=3 2361 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [1,1,0,0,0,0|1,0,1]=4 2362 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [1,1,0,0,0,0|1,0,1]=4 2363 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|1,0,0]=3 2364 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|1,0,0]=3 2365 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [1,1,0,0,0,0|1,0,1]=4 2366 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [1,1,0,0,0,0|1,0,1]=4 2367 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|1,0,0]=3 2368 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|1,0,0]=3 2369 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [1,1,0,0,0,0|1,0,1]=4 2370 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [1,1,0,0,0,0|1,0,1]=4 2371 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|2,0,0]=4 2372 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|2,0,0]=4 2373 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|2,0,0]=4 2374 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|2,0,0]=4 2375 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|2,0,0]=4 2376 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|2,0,0]=4 2377 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|2,0,0]=4 2378 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|2,0,0]=4 2379 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|2,0,0]=4 2380 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|2,0,0]=4 2381 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|2,0,0]=4 2382 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|2,0,0]=4 2383 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|2,0,0]=4 2384 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|2,0,0]=4 2385 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|2,0,0]=4 2386 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|2,0,0]=4 2387 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|2,0,0]=4 2388 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|2,0,0]=4 2389 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,1,0|1,0,0]=3 2390 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,1,0|1,0,0]=3 2391 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,1,0|2,0,0]=4 2392 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,1,0|1,1,0]=4 2393 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,1,0|1,1,0]=4 2394 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,1,0|2,0,0]=4 2395 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,1,0|2,0,0]=4 2396 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,1,0|2,0,0]=4 2397 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,1,0|2,0,0]=4 2398 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,1,0|1,0,0]=3 2399 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,1,0|1,0,0]=3 2400 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,1,0|2,0,0]=4 2401 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,1,0|1,1,0]=4 2402 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,1,0|1,0,0]=3 2403 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,1,0|2,0,0]=4 2404 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,1,0|2,0,0]=4 2405 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,1,0|2,0,0]=4 2406 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,1,0|2,0,0]=4 2407 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,1,0|2,0,0]=4 2408 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,1,0|2,0,0]=4 2409 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,1,0|2,0,0]=4 2410 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,1,0|1,0,0]=3 2411 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,1,0|2,0,0]=4 2412 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,1,0|2,0,0]=4 2413 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,1,0|1,0,0]=3 2414 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,1,0|1,0,0]=3 2415 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,1,0|1,0,0]=3 2416 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,1,0|1,0,0]=3 2417 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,1,0|2,0,0]=4 2418 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,1,0|2,0,0]=4 2419 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,1,0|2,0,0]=4 2420 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,1,0,0,0,1|1,0,1]=4 2421 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,1|1,0,0]=3 2422 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,1|2,0,0]=4 2423 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,1,0,0,0,1|2,0,0]=4 2424 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,1,0,0,0,1|1,0,0]=3 2425 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,1,0,0,0,1|1,0,0]=3 2426 B9R0.1 C#CC(C)NCCC(=O)N 2230a_100000707721_100000744528 [0,1,0,0,0,1|1,0,1]=4 2427 B9R0.1 C#CC(C)NCCC(=O)N 34a_100000707721_100000731001 [0,1,0,0,0,1|1,0,1]=4 2428 B9R0.1 C#CC(C)NOCC(=O)O 269956a_100000106656_200000035995 [0,1,0,0,0,1|1,0,1]=4 2429 B9R0.1 C#CC(C)OCCC(=O)C 34a_100000759926_200000035995 [0,1,0,0,0,1|1,0,1]=4 2430 B9R0.1 C#CC(C)OCCC(=O)N 34a_100000757172_200000035995 [0,1,0,0,0,1|1,0,1]=4 2431 B9R0.1 C#CC(C)SCCC(=O)C 62a_200000035995_100000053229 [0,1,0,0,0,1|1,0,1]=4 2432 B9R0.1 C#CC(C)SCCC(=O)N 62a_200000035995_100000744528 [0,1,0,0,0,1|1,0,1]=4 2433 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7a_100009815206_100000053229 [0,1,0,0,0,1|1,0,1]=4 2434 B9R0.1 C#C[C@@H](C)OCCC(=O)N 34a_100009815206_100000731001 [0,1,0,0,0,1|1,0,1]=4 2435 B9R0.1 C#C[C@@H](C)OCCC(=O)N 7a_100009815206_100000744528 [0,1,0,0,0,1|1,0,1]=4 2436 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,1,0,0,0,1|2,0,0]=4 2437 B9R0.1 C=C(Br)CCOC(C)CO 34a_100009813270_100012180447 [0,1,0,0,0,1|2,0,0]=4 2438 B9R0.1 C=C(C#N)CNCC(C)C 2230a_100000210953_100000694840 [0,1,0,0,0,1|2,0,0]=4 2439 B9R0.1 C=C(C#N)CNCC(C)C 34a_100000210953_100000694840 [0,1,0,0,0,1|2,0,0]=4 2440 B9R0.1 C=C(C#N)COCC(C)C 34a_100000210257_100000694840 [0,1,0,0,0,1|2,0,0]=4 2441 B9R0.1 C=C(C#N)CSCC(C)C 62a_100000210624_100000694840 [0,1,0,0,0,1|2,0,0]=4 2442 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,1|2,0,0]=4 2443 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,1,0,0,0,1|2,0,0]=4 2444 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,1|2,0,0]=4 2445 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,1|2,0,0]=4 2446 B9R0.1 C=C(C)CCOC(C)CF 34a_100016041109_100000730704 [0,1,0,0,0,1|2,0,0]=4 2447 B9R0.1 C=C(C)CCOC(C)CF 7a_100016041109_100000730704 [0,1,0,0,0,1|2,0,0]=4 2448 B9R0.1 C=C(C)CCOC(C)CN 34a_100000210904_100000730704 [0,1,0,0,0,1|2,0,0]=4 2449 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,1,0,0,0,1|2,0,0]=4 2450 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,1|2,0,0]=4 2451 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,1|2,0,0]=4 2452 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,1,0,0,0,1|2,0,0]=4 2453 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,1,0,0,0,1|2,0,0]=4 2454 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,1,0,0,0,1|2,0,0]=4 2455 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,1,0,0,0,1|2,0,0]=4 2456 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,1,0,0,0,1|2,0,0]=4 2457 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,1|2,0,0]=4 2458 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,1,0,0,0,1|2,0,0]=4 2459 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,1,0,0,0,1|2,0,0]=4 2460 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,1|0,0,2]=4 2461 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,1|2,0,0]=4 2462 B9R0.1 C=C(C)COCC(C)CN 34a_100000744482_100000748629 [0,1,0,0,0,1|2,0,0]=4 2463 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,1,0,0,0,1|2,0,0]=4 2464 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,1|2,0,0]=4 2465 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,1|2,0,0]=4 2466 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,1,0,0,0,1|2,0,0]=4 2467 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,1|0,0,2]=4 2468 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,1|0,0,2]=4 2469 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,1|2,0,0]=4 2470 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,1|2,0,0]=4 2471 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,1|2,0,0]=4 2472 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,1|2,0,0]=4 2473 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,1,0,0,0,1|2,0,0]=4 2474 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,1,0,0,0,1|2,0,0]=4 2475 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,1,0,0,0,1|2,0,0]=4 2476 B9R0.1 C=C(F)CNCC(C)CO 34a_100000744482_100009893438 [0,1,0,0,0,1|2,0,0]=4 2477 B9R0.1 C=C(F)CNC[C@@H](C)OC 2230a_100020591295_100009893438 [0,1,0,0,0,1|2,0,0]=4 2478 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,1,0,0,0,1|2,0,0]=4 2479 B9R0.1 C=C(F)COCC(C)CN 34a_100000744482_100009893438 [0,1,0,0,0,1|2,0,0]=4 2480 B9R0.1 C=C(F)COCC(C)OC 34a_100000690652_100009893438 [0,1,0,0,0,1|2,0,0]=4 2481 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,1,0,0,0,1|2,0,0]=4 2482 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,1,0,0,0,1|2,0,0]=4 2483 B9R0.1 C=C(F)COC[C@@H](C)CO 34a_200010262243_100000059175 [0,1,0,0,0,1|2,0,0]=4 2484 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,1,0,0,0,1|2,0,0]=4 2485 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,1,0,0,0,1|2,0,0]=4 2486 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,1,0,0,0,1|2,0,0]=4 2487 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,1,0,0,0,1|2,0,0]=4 2488 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000042424_100000059175 [0,1,0,0,0,1|2,0,0]=4 2489 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000059175_100000042424 [0,1,0,0,0,1|2,0,0]=4 2490 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,1|1,0,1]=4 2491 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,1|1,0,0]=3 2492 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,1|2,0,0]=4 2493 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,1|2,0,0]=4 2494 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,1|1,0,0]=3 2495 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,1|1,0,0]=3 2496 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,1|1,0,0]=3 2497 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,1|1,0,0]=3 2498 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,1|2,0,0]=4 2499 B9R0.1 C=CC(=O)NCCN(C)C 240690a_100000210585_200121576911 [0,1,0,0,0,1|2,0,0]=4 2500 B9R0.1 C=CC(=O)NNCC(C)C 22a_100000696102_100000185746 [0,1,0,0,0,1|2,0,0]=4 2501 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,1,0,0,0,1|2,0,0]=4 2502 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,1,0,0,0,1|2,0,0]=4 2503 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [0,1,0,0,0,1|1,0,1]=4 2504 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [0,1,0,0,0,1|1,0,1]=4 2505 B9R0.1 C=CC(C)COCC(=O)[O-] 34a_100011215527_100020667443 [0,1,0,0,0,1|0,0,2]=4 2506 B9R0.1 C=CC(C)NOCC(=O)O 269956a_100000106656_100011215867 [0,1,0,0,0,1|1,0,1]=4 2507 B9R0.1 C=CC(C)OCCC(=O)N 34a_100000695699_100000731001 [0,1,0,0,0,1|1,0,1]=4 2508 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,1,0,0,0,1|1,0,1]=4 2509 B9R0.1 C=CC(C)SCCC(=O)N 62a_100011215867_100000744528 [0,1,0,0,0,1|1,0,1]=4 2510 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,0,0,0,1|1,0,1]=4 2511 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,1,0,0,0,1|1,0,1]=4 2512 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,1,0,0,0,1|1,0,1]=4 2513 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,1,0,0,0,1|1,0,1]=4 2514 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,1,0,0,0,1|1,0,1]=4 2515 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,1,0,0,0,1|1,0,1]=4 2516 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,1|0,0,1]=3 2517 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,1|2,0,0]=4 2518 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,1|2,0,0]=4 2519 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,1|0,0,2]=4 2520 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,1|1,0,1]=4 2521 B9R0.1 CC(=O)CCOC(C)C#N 7a_100000759926_100000703298 [0,1,0,0,0,1|1,0,1]=4 2522 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,1|1,0,0]=3 2523 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,1|1,0,0]=3 2524 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,1|1,0,0]=3 2525 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000053229_100000703298 [0,1,0,0,0,1|1,0,1]=4 2526 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000703298_100000053229 [0,1,0,0,0,1|1,0,1]=4 2527 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,1|1,0,0]=3 2528 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,1|1,0,0]=3 2529 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,1|1,0,0]=3 2530 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,1|2,0,0]=4 2531 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,1|1,0,0]=3 2532 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,1|2,0,0]=4 2533 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,1|2,0,0]=4 2534 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,1|1,0,1]=4 2535 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,1|1,0,0]=3 2536 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,1|1,0,0]=3 2537 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,1|1,0,1]=4 2538 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,1|2,0,0]=4 2539 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,1|2,0,0]=4 2540 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,1|2,0,0]=4 2541 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,1|2,0,0]=4 2542 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,1|2,0,0]=4 2543 B9R0.1 CC(C#N)NCCC(=O)N 2230a_100000737613_100000744528 [0,1,0,0,0,1|1,0,1]=4 2544 B9R0.1 CC(C#N)NOCC(=O)O 269956a_100000106656_100000184139 [0,1,0,0,0,1|1,0,1]=4 2545 B9R0.1 CC(C#N)OCCC(=O)N 34a_100011218135_100000731001 [0,1,0,0,0,1|1,0,1]=4 2546 B9R0.1 CC(C#N)OCCC(=O)N 7a_100000757172_100000703298 [0,1,0,0,0,1|1,0,1]=4 2547 B9R0.1 CC(C#N)SCCC(=O)N 62a_100000703298_100000744528 [0,1,0,0,0,1|1,0,1]=4 2548 B9R0.1 CC(C#N)SCCC(=O)N 62a_100000744528_100000703298 [0,1,0,0,0,1|1,0,1]=4 2549 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,1|1,0,1]=4 2550 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,1|1,0,0]=3 2551 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,1|0,0,0]=2 2552 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,1|1,0,1]=4 2553 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,1|1,0,1]=4 2554 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,1|0,0,0]=2 2555 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,1|0,0,0]=2 2556 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,1,0,0,0,1|1,0,1]=4 2557 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,1,0,0,0,1|1,0,1]=4 2558 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,1|1,0,1]=4 2559 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,1|1,0,1]=4 2560 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,1,0,0,0,1|1,0,1]=4 2561 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,1,0,0,0,1|1,0,1]=4 2562 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,1,0,0,0,1|1,0,1]=4 2563 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,1,0,0,0,1|1,0,1]=4 2564 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,0,0,0,1|0,0,2]=4 2565 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,0,0,0,1|0,0,2]=4 2566 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,1,0,0,0,1|1,0,1]=4 2567 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,1,0,0,0,1|1,0,1]=4 2568 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [0,1,0,0,0,1|1,0,1]=4 2569 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [0,1,0,0,0,1|1,0,1]=4 2570 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,1,0,0,0,1|1,0,1]=4 2571 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,1,0,0,0,1|1,0,1]=4 2572 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,0,0,0,1|0,0,2]=4 2573 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,0,0,0,1|0,0,2]=4 2574 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,0,0,0,1|0,0,2]=4 2575 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,1,0,0,0,1|1,0,0]=3 2576 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,1,0,0,0,1|1,0,0]=3 2577 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,0,0,0,1|0,0,2]=4 2578 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,0,0,0,1|1,0,1]=4 2579 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,0,0,0,1|1,0,1]=4 2580 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,0,0,0,1|0,0,2]=4 2581 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,0,0,0,1|0,0,2]=4 2582 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,0,0,0,1|0,0,2]=4 2583 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,1,0,0,0,1|1,0,1]=4 2584 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,1,0,0,0,1|1,0,1]=4 2585 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,1,0,0,0,1|1,0,1]=4 2586 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,1,0,0,0,1|1,0,1]=4 2587 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,0,0,0,1|0,0,2]=4 2588 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,0,0,0,1|0,0,2]=4 2589 B9R0.1 CC(C)OCCC(=NO)N 34a_100000749954_100000210206 [0,1,0,0,0,1|1,0,0]=3 2590 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,1|0,0,0]=2 2591 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,1|0,0,0]=2 2592 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,1|0,0,1]=3 2593 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,1,0,0,0,1|1,0,0]=3 2594 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,1,0,0,0,1|1,0,0]=3 2595 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,1|1,0,0]=3 2596 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,1|0,0,1]=3 2597 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,1|1,0,1]=4 2598 B9R0.1 CC(CN)COC[N+](=O)[O-] 34a_100000744482_100000761209 [0,1,0,0,0,1|1,0,1]=4 2599 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,1|1,0,0]=3 2600 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,1,0,0,0,1|1,0,1]=4 2601 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,1|1,0,1]=4 2602 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,1|1,0,0]=3 2603 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,1|0,0,1]=3 2604 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,1|1,0,1]=4 2605 B9R0.1 CC(CO)CNC[N+](=O)[O-] 34a_100000744482_100000761209 [0,1,0,0,0,1|1,0,1]=4 2606 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,1,0,0,0,1|1,0,0]=3 2607 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,1,0,0,0,1|1,0,0]=3 2608 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,1,0,0,0,1|1,0,0]=3 2609 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,1|1,0,0]=3 2610 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,1|1,0,0]=3 2611 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,1|1,0,0]=3 2612 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,1,0,0,0,1|1,0,1]=4 2613 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,1,0,0,0,1|1,0,1]=4 2614 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,1,0,0,0,1|1,0,1]=4 2615 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,1,0,0,0,1|1,0,1]=4 2616 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,0,0,0,1|1,0,1]=4 2617 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,1,0,0,0,1|1,0,1]=4 2618 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,1,0,0,0,1|1,0,1]=4 2619 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,1,0,0,0,1|1,0,1]=4 2620 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,1,0,0,0,1|1,0,1]=4 2621 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,1,0,0,0,1|1,0,1]=4 2622 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,0,0,0,1|1,0,1]=4 2623 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,1,0,0,0,1|2,0,0]=4 2624 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,1,0,0,0,1|1,0,1]=4 2625 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,1,0,0,0,1|1,0,1]=4 2626 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,1,0,0,0,1|1,0,1]=4 2627 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,1|1,0,1]=4 2628 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,1|1,0,1]=4 2629 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,1|1,0,0]=3 2630 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,1|1,0,0]=3 2631 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,1|2,0,0]=4 2632 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,1|2,0,0]=4 2633 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,1|1,0,0]=3 2634 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,1|1,0,0]=3 2635 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,1|1,0,1]=4 2636 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,1|1,0,0]=3 2637 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,1|1,0,0]=3 2638 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,1|2,0,0]=4 2639 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,1|2,0,0]=4 2640 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,1|1,0,0]=3 2641 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,1|1,0,0]=3 2642 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,1|2,0,0]=4 2643 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,1|2,0,0]=4 2644 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,1|2,0,0]=4 2645 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,1|2,0,0]=4 2646 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2647 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2648 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2649 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2650 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,1|2,0,0]=4 2651 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,1|2,0,0]=4 2652 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,1|2,0,0]=4 2653 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,1|2,0,0]=4 2654 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,0,0,0,1|2,0,0]=4 2655 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,1|1,0,0]=3 2656 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,1|1,0,0]=3 2657 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,1|1,0,0]=3 2658 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,1|1,0,0]=3 2659 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,1|1,0,0]=3 2660 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,1|1,0,0]=3 2661 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,1|0,0,0]=2 2662 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,1|1,0,1]=4 2663 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,1|1,0,1]=4 2664 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,1|1,0,1]=4 2665 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,1|1,0,1]=4 2666 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,1|1,0,1]=4 2667 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,1|1,0,0]=3 2668 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,1|1,0,0]=3 2669 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,1|1,0,0]=3 2670 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,1|0,0,1]=3 2671 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,1|0,0,1]=3 2672 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,1|1,0,1]=4 2673 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,1|1,0,1]=4 2674 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,1|1,0,1]=4 2675 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,1|1,0,1]=4 2676 B9R0.1 CCC(C)CSC[N+](=O)[O-] 62a_100000748023_100000761209 [0,1,0,0,0,1|1,0,1]=4 2677 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,0,0,0,1|1,0,0]=3 2678 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,1|1,0,1]=4 2679 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,1|1,0,1]=4 2680 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,1|1,0,0]=3 2681 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,1|1,0,0]=3 2682 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,1|1,0,0]=3 2683 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,1|1,0,0]=3 2684 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,0,0,0,1|1,0,0]=3 2685 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,0,0,0,1|1,0,0]=3 2686 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,0,0,0,1|1,0,0]=3 2687 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,1|1,0,1]=4 2688 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,1|1,0,0]=3 2689 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,1|1,0,0]=3 2690 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,0,0,0,1|1,0,0]=3 2691 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,0,0,0,1|1,0,0]=3 2692 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,1|1,0,1]=4 2693 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,1|1,0,1]=4 2694 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,1|2,0,0]=4 2695 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,1|2,0,0]=4 2696 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,1|2,0,0]=4 2697 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,1|2,0,0]=4 2698 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,1|1,0,0]=3 2699 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,1|1,0,1]=4 2700 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,1|1,0,1]=4 2701 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,1|1,0,1]=4 2702 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,1|1,0,1]=4 2703 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,1|2,0,0]=4 2704 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,1|1,0,1]=4 2705 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,0,0,0,1|2,0,0]=4 2706 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,0,0,0,1|2,0,0]=4 2707 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,0,0,0,1|1,0,1]=4 2708 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,0,0,0,1|1,0,1]=4 2709 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,1|1,0,1]=4 2710 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,1|1,0,1]=4 2711 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,1|2,0,0]=4 2712 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,1|2,0,0]=4 2713 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,1,0,0,0,1|2,0,0]=4 2714 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,1|1,0,0]=3 2715 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,1|2,0,0]=4 2716 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,1|2,0,0]=4 2717 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,1,0,0,0,1|2,0,0]=4 2718 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,1,0,0,0,1|2,0,0]=4 2719 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,1|2,0,0]=4 2720 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,1,0,0,0,1|2,0,0]=4 2721 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,1|1,0,0]=3 2722 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,1|0,0,0]=2 2723 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,1|1,0,1]=4 2724 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,1|1,0,1]=4 2725 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,1|1,0,0]=3 2726 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,1|1,0,0]=3 2727 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,1|1,0,1]=4 2728 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,1|1,0,1]=4 2729 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,1|1,0,0]=3 2730 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,1|1,0,0]=3 2731 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,1|0,0,1]=3 2732 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,1|0,0,1]=3 2733 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,1|1,0,1]=4 2734 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,1|1,0,1]=4 2735 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,1|1,0,1]=4 2736 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,1|1,0,1]=4 2737 B9R0.1 CC[C@H](C)CSC[N+](=O)[O-] 62a_100009816398_100000761209 [0,1,0,0,0,1|1,0,1]=4 2738 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,1|1,0,0]=3 2739 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,1|1,0,0]=3 2740 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,1|1,0,0]=3 2741 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,1|1,0,0]=3 2742 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,1|1,0,1]=4 2743 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,1|1,0,1]=4 2744 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,1|1,0,1]=4 2745 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,1|1,0,0]=3 2746 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,1|1,0,0]=3 2747 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,1|1,0,0]=3 2748 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,1|1,0,0]=3 2749 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,1|2,0,0]=4 2750 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,1|2,0,0]=4 2751 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,1|2,0,0]=4 2752 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,1|2,0,0]=4 2753 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,1|2,0,0]=4 2754 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,1|2,0,0]=4 2755 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,1|1,0,0]=3 2756 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,1|1,0,0]=3 2757 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,1|1,0,0]=3 2758 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,1|1,0,0]=3 2759 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,1|1,0,0]=3 2760 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,1|1,0,0]=3 2761 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,1|1,0,0]=3 2762 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,1|1,0,0]=3 2763 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,0,0,0,1|1,0,1]=4 2764 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,1|1,0,0]=3 2765 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,1|1,0,0]=3 2766 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,1|1,0,0]=3 2767 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,1|1,0,0]=3 2768 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,1|2,0,0]=4 2769 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,1|2,0,0]=4 2770 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,1|2,0,0]=4 2771 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,1|2,0,0]=4 2772 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,1|2,0,0]=4 2773 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,1|1,0,0]=3 2774 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,1|1,0,0]=3 2775 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,1|1,0,0]=3 2776 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,1|1,0,0]=3 2777 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,1|1,0,0]=3 2778 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,1|1,0,0]=3 2779 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,1|2,0,0]=4 2780 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,1|2,0,0]=4 2781 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,1|2,0,0]=4 2782 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,1|2,0,0]=4 2783 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,1|2,0,0]=4 2784 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,1|1,0,0]=3 2785 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,1|1,0,0]=3 2786 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,1|2,0,0]=4 2787 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,1|2,0,0]=4 2788 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,1|2,0,0]=4 2789 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,1|2,0,0]=4 2790 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,1|1,0,0]=3 2791 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,1|1,0,0]=3 2792 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,1|1,0,0]=3 2793 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,1|1,0,0]=3 2794 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,1|1,0,0]=3 2795 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,1|1,0,0]=3 2796 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,1|2,0,0]=4 2797 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,1|2,0,0]=4 2798 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,1|2,0,0]=4 2799 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,1|2,0,0]=4 2800 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,1|2,0,0]=4 2801 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,1|2,0,0]=4 2802 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,1|2,0,0]=4 2803 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,1|2,0,0]=4 2804 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,1,0,0,0,1|2,0,0]=4 2805 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,1,0,0,0,1|2,0,0]=4 2806 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,1,0,0,0,1|2,0,0]=4 2807 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,1|2,0,0]=4 2808 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,1|2,0,0]=4 2809 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,1|1,0,1]=4 2810 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,1|1,0,1]=4 2811 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,1|1,0,1]=4 2812 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,1|1,0,1]=4 2813 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,1|1,0,1]=4 2814 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,1|1,0,1]=4 2815 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,1|1,0,0]=3 2816 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,1|1,0,0]=3 2817 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,1|1,0,0]=3 2818 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,1|1,0,0]=3 2819 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,1|1,0,1]=4 2820 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,1|0,0,0]=2 2821 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,1|0,0,0]=2 2822 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,1|0,0,0]=2 2823 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,1|0,0,0]=2 2824 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,1|0,0,0]=2 2825 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,1|1,0,1]=4 2826 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,1|0,0,0]=2 2827 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,1|0,0,0]=2 2828 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,1|1,0,0]=3 2829 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,1|1,0,0]=3 2830 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,1,0,0,0,1|2,0,0]=4 2831 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,1|1,0,1]=4 2832 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,1|1,0,0]=3 2833 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,1|0,0,0]=2 2834 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,1|1,0,0]=3 2835 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,1,0,0,0,1|2,0,0]=4 2836 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,1|1,0,0]=3 2837 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,1|1,0,0]=3 2838 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,1|1,0,1]=4 2839 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,1|1,0,1]=4 2840 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,1|0,0,0]=2 2841 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,1|0,0,0]=2 2842 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,1|1,0,0]=3 2843 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,1|1,0,0]=3 2844 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,1,0,0,0,1|2,0,0]=4 2845 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,1,0,0,0,1|2,0,0]=4 2846 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,1|1,0,0]=3 2847 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,1|1,0,0]=3 2848 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,1|1,0,0]=3 2849 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,1|2,0,0]=4 2850 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,1|2,0,0]=4 2851 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,1|0,0,1]=3 2852 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,1|1,0,1]=4 2853 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,1|1,0,1]=4 2854 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,1|1,0,1]=4 2855 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,1,0,0,0,1|1,0,0]=3 2856 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,1,0,0,0,1|0,0,1]=3 2857 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,1|1,0,1]=4 2858 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,1,0,0,0,1|1,0,1]=4 2859 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,1,0,0,0,1|1,0,1]=4 2860 B9R0.1 COC(C)COC[N+](=O)[O-] 34a_100000690652_100000761209 [0,1,0,0,0,1|1,0,1]=4 2861 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,1,0,0,0,1|1,0,0]=3 2862 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,1|1,0,0]=3 2863 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,1|1,0,0]=3 2864 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,1,0,0,0,1|1,0,0]=3 2865 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,1,0,0,0,1|1,0,0]=3 2866 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,1|1,0,1]=4 2867 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,1|1,0,1]=4 2868 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,1,0,0,0,1|1,0,1]=4 2869 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,1,0,0,0,1|1,0,1]=4 2870 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,1|2,0,0]=4 2871 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,1|2,0,0]=4 2872 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,1,0,0,0,1|1,0,0]=3 2873 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,1,0,0,0,1|1,0,1]=4 2874 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,1,0,0,0,1|1,0,1]=4 2875 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,1,0,0,0,1|1,0,1]=4 2876 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,1,0,0,0,1|1,0,1]=4 2877 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,1|1,0,0]=3 2878 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,1|0,0,0]=2 2879 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,1,0,0,0,1|1,0,0]=3 2880 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,1,0,0,0,1|1,0,0]=3 2881 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,1,0,0,0,1|0,0,1]=3 2882 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,1,0,0,0,1|0,0,1]=3 2883 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,1,0,0,0,1|1,0,1]=4 2884 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,1,0,0,0,1|1,0,1]=4 2885 B9R0.1 C[C@@H](CO)CSC[N+](=O)[O-] 62a_100000059175_100000761209 [0,1,0,0,0,1|1,0,1]=4 2886 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,0,0,0,1|1,0,0]=3 2887 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,0,0,0,1|1,0,0]=3 2888 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,1,0,0,0,1|1,0,0]=3 2889 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,1,0,0,0,1|1,0,0]=3 2890 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,1,0,0,0,1|2,0,0]=4 2891 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,1,0,0,0,1|2,0,0]=4 2892 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,1,0,0,0,1|2,0,0]=4 2893 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,1,0,0,0,1|2,0,0]=4 2894 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,1,0,0,0,1|2,0,0]=4 2895 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,1,0,0,0,1|2,0,0]=4 2896 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,1,0,0,0,1|2,0,0]=4 2897 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,1,0,0,0,1|2,0,0]=4 2898 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,1,0,0,0,1|2,0,0]=4 2899 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,1,0,0,0,1|2,0,0]=4 2900 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,1,0,0,0,1|2,0,0]=4 2901 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,1,0,0,0,1|2,0,0]=4 2902 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,1,0,0,0,1|2,0,0]=4 2903 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,1,0,0,0,1|1,0,1]=4 2904 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,0,0,0,1|1,0,0]=3 2905 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,0,0,0,1|1,0,0]=3 2906 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,0,0,0,1|1,0,0]=3 2907 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,1,0,0,0,1|1,0,1]=4 2908 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,1,0,0,0,1|1,0,1]=4 2909 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,1,0,0,0,1|1,0,1]=4 2910 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,1,0,0,0,1|1,0,1]=4 2911 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,1,0,0,0,1|1,0,1]=4 2912 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,1,0,0,0,1|1,0,1]=4 2913 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,1,0,0,0,1|1,0,1]=4 2914 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,1,0,0,0,1|1,0,1]=4 2915 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,1|2,0,0]=4 2916 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,1,0,0,0,1|2,0,0]=4 2917 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,1|2,0,0]=4 2918 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,1|2,0,0]=4 2919 B9R0.7 C=C(C)CCN(C)C(C)C 269982a_200000211004_100000730704 [0,1,0,0,0,1|2,0,0]=4 2920 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [0,1,0,0,0,1|2,0,0]=4 2921 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,0,0,0,1|0,0,2]=4 2922 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [0,1,0,0,0,1|2,0,0]=4 2923 B9R0.7 C=C(F)CNC(C)C(C)C 2230a_100000211541_100009893438 [0,1,0,0,0,1|2,0,0]=4 2924 B9R0.7 C=C(F)COC(C)C(C)C 7a_100000748068_100000042424 [0,1,0,0,0,1|2,0,0]=4 2925 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,1|1,0,1]=4 2926 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,1|1,0,1]=4 2927 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,1|1,0,1]=4 2928 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,1|1,0,1]=4 2929 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,1|1,0,1]=4 2930 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,1|1,0,0]=3 2931 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,1|1,0,0]=3 2932 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,1|1,0,0]=3 2933 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,1|1,0,1]=4 2934 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,0,0,0,1|1,0,0]=3 2935 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,1|2,0,0]=4 2936 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,0,0,0,1|1,0,0]=3 2937 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,1|2,0,0]=4 2938 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,1|2,0,0]=4 2939 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,0,0,0,1|1,0,0]=3 2940 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,0,0,0,1|1,0,0]=3 2941 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,1|2,0,0]=4 2942 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,1|2,0,0]=4 2943 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,1|2,0,0]=4 2944 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,1|2,0,0]=4 2945 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,1|2,0,0]=4 2946 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,1|1,0,0]=3 2947 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,1|1,0,0]=3 2948 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,1|1,0,1]=4 2949 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,1|1,0,1]=4 2950 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2951 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2952 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2953 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,1|1,0,0]=3 2954 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,1,0,0,0,1|2,0,0]=4 2955 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,1,0,0,0,1|2,0,0]=4 2956 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,1|1,0,1]=4 2957 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,1|1,0,0]=3 2958 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,1|1,0,0]=3 2959 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,1|1,0,0]=3 2960 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,1|1,0,1]=4 2961 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,1,0,0,0,1|2,0,0]=4 2962 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,1,0,0,0,1|2,0,0]=4 2963 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,1|1,0,1]=4 2964 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,1,0,0,0,1|2,0,0]=4 2965 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,1,0,0,0,1|2,0,0]=4 2966 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,1,0,0,0,1|1,0,1]=4 2967 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,1|1,0,0]=3 2968 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [0,1,0,0,0,1|1,0,1]=4 2969 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,1|1,0,1]=4 2970 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 2971 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 2972 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 2973 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,1|1,0,1]=4 2974 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,1,0,0,0,1|1,0,0]=3 2975 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [0,1,0,0,0,1|1,0,1]=4 2976 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,1,0,0,0,1|1,0,0]=3 2977 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [0,1,0,0,0,1|1,0,1]=4 2978 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,1,0,0,0,1|0,0,2]=4 2979 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,1|1,0,1]=4 2980 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,1|1,0,1]=4 2981 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,1|1,0,1]=4 2982 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,1|1,0,1]=4 2983 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,1,0,0,0,1|1,0,0]=3 2984 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,1,0,0,0,1|1,0,0]=3 2985 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,1,0,0,0,1|1,0,0]=3 2986 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,1,0,0,0,1|1,0,0]=3 2987 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,1,0,0,0,1|0,0,1]=3 2988 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,1|0,0,0]=2 2989 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,1,0,0,0,1|1,0,0]=3 2990 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,1,0,0,0,1|1,0,0]=3 2991 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,1,0,0,0,1|1,0,0]=3 2992 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,1,0,0,0,1|1,0,0]=3 2993 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,1,0,0,0,1|1,0,0]=3 2994 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,1,0,0,0,1|0,0,1]=3 2995 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,1,0,0,0,1|0,0,1]=3 2996 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,1,0,0,0,1|1,0,0]=3 2997 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,1,0,0,0,1|1,0,0]=3 2998 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,0,0,0,1|1,0,0]=3 2999 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,0,0,0,1|1,0,0]=3 3000 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,1,0,0,0,1|1,0,0]=3 3001 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,1,0,0,0,1|1,0,0]=3 3002 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,1,0,0,0,1|0,0,1]=3 3003 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,1,0,0,0,1|0,0,1]=3 3004 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,1,0,0,0,1|1,0,0]=3 3005 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,1,0,0,0,1|1,0,0]=3 3006 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,1,0,0,0,1|1,0,0]=3 3007 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,1,0,0,0,1|1,0,0]=3 3008 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,1|1,0,0]=3 3009 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,1,0,0,0,1|1,0,0]=3 3010 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,1,0,0,0,1|1,0,0]=3 3011 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,1|0,0,0]=2 3012 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,1|0,0,0]=2 3013 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100000210206 [0,1,0,0,0,1|1,0,1]=4 3014 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000210206 [0,1,0,0,0,1|1,0,1]=4 3015 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,1|1,0,0]=3 3016 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,1,0,0,0,1|2,0,0]=4 3017 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,1,0,0,0,1|2,0,0]=4 3018 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,1,0,0,0,1|1,0,1]=4 3019 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,1|1,0,1]=4 3020 B9R0.7 CC(O)CCN(C)C(C)C 269982a_200000211004_100012276601 [0,1,0,0,0,1|1,0,1]=4 3021 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,1,0,0,0,1|2,0,0]=4 3022 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,1|2,0,0]=4 3023 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [0,1,0,0,0,1|1,0,1]=4 3024 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,1,0,0,0,1|2,0,0]=4 3025 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,1|2,0,0]=4 3026 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,1|1,0,1]=4 3027 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,0,0,0,1|1,0,0]=3 3028 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,1,0,0,0,1|2,0,0]=4 3029 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,1,0,0,0,1|2,0,0]=4 3030 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [0,1,0,0,0,1|1,0,1]=4 3031 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,1,0,0,0,1|1,0,1]=4 3032 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,1,0,0,0,1|2,0,0]=4 3033 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,1,0,0,0,1|2,0,0]=4 3034 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,1,0,0,0,1|2,0,0]=4 3035 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,1,0,0,0,1|2,0,0]=4 3036 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,1,0,0,0,1|2,0,0]=4 3037 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,1,0,0,0,1|2,0,0]=4 3038 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,1,0,0,0,1|1,0,1]=4 3039 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,1,0,0,0,1|1,0,1]=4 3040 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,1,0,0,0,1|2,0,0]=4 3041 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,1,0,0,0,1|2,0,0]=4 3042 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,1,0,0,0,1|2,0,0]=4 3043 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,1,0,0,0,1|2,0,0]=4 3044 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,1,0,0,0,1|2,0,0]=4 3045 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,1,0,0,0,1|2,0,0]=4 3046 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,1|2,0,0]=4 3047 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,1,0,0,0,1|2,0,0]=4 3048 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,1,0,0,0,1|1,0,1]=4 3049 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,1,0,0,0,1|2,0,0]=4 3050 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,1,0,0,0,1|1,0,1]=4 3051 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,1,0,0,0,1|2,0,0]=4 3052 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,1,0,0,0,1|2,0,0]=4 3053 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,1,0,0,0,1|2,0,0]=4 3054 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,1,0,0,0,1|2,0,0]=4 3055 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,1,0,0,0,1|2,0,0]=4 3056 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,1,0,0,0,1|2,0,0]=4 3057 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,1,0,0,0,1|1,0,1]=4 3058 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,1,0,0,0,1|1,0,1]=4 3059 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,0,0,0,1|2,0,0]=4 3060 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,0,0,0,1|1,0,0]=3 3061 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,1,0,0,0,1|1,0,1]=4 3062 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,1|2,0,0]=4 3063 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,1,0,0,0,1|0,0,2]=4 3064 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,1,0,0,0,1|2,0,0]=4 3065 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,1,0,0,0,1|2,0,0]=4 3066 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,1,0,0,0,1|2,0,0]=4 3067 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,1,0,0,0,1|2,0,0]=4 3068 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,1,0,0,0,1|2,0,0]=4 3069 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,1,0,0,0,1|2,0,0]=4 3070 B9R0.53 C=C(F)CN(C)CC(C)C 2230a_100000747067_100009893438 [0,1,0,0,0,1|2,0,0]=4 3071 B9R0.53 C=C(F)CN(C)CC(C)C 269982a_100000747067_100009893438 [0,1,0,0,0,1|2,0,0]=4 3072 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,1|1,0,1]=4 3073 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,1|1,0,1]=4 3074 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 3075 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 3076 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 3077 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,1|1,0,0]=3 3078 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,1,0,0,0,1|2,0,0]=4 3079 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,1,0,0,0,1|2,0,0]=4 3080 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,1,0,0,0,1|2,0,0]=4 3081 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,1,0,0,0,1|2,0,0]=4 3082 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,1,0,0,0,1|2,0,0]=4 3083 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,1|1,0,0]=3 3084 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,1|1,0,0]=3 3085 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,1|0,0,1]=3 3086 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,1|1,0,1]=4 3087 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,1|1,0,1]=4 3088 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,1,0,0,0,1|1,0,1]=4 3089 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,1,0,0,0,1|1,0,0]=3 3090 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,1,0,0,0,1|1,0,0]=3 3091 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,1,0,0,0,1|1,0,0]=3 3092 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,1,0,0,0,1|1,0,0]=3 3093 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,1|0,0,0]=2 3094 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,1,0,0,0,1|0,0,1]=3 3095 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,1,0,0,0,1|1,0,1]=4 3096 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,1,0,0,0,1|1,0,1]=4 3097 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,1,0,0,0,1|1,0,1]=4 3098 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,1,0,0,0,1|1,0,1]=4 3099 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,1,0,0,0,1|1,0,1]=4 3100 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,1,0,0,0,1|1,0,1]=4 3101 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,1,0,0,0,1|1,0,1]=4 3102 B9R0.53 CC(C)CN(C)C[N+](=O)[O-] 269982a_100000747067_100000761209 [0,1,0,0,0,1|1,0,1]=4 3103 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,0,1|1,0,1]=4 3104 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,0,1|1,0,1]=4 3105 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,0,0,0,1|2,0,0]=4 3106 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,1,0,0,0,1|2,0,0]=4 3107 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,1,0,0,0,1|2,0,0]=4 3108 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,1,0,0,0,1|2,0,0]=4 3109 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,1,0,0,0,1|1,0,0]=3 3110 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,1,0,0,0,1|1,0,1]=4 3111 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,1,0,0,0,1|2,0,0]=4 3112 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,1,0,0,0,1|1,0,1]=4 3113 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,1,0,0,0,1|2,0,0]=4 3114 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,0,0,0,1|2,0,0]=4 3115 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,0,0,0,1|1,0,1]=4 3116 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,1,0,0,0,1|2,0,0]=4 3117 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,1,0,0,0,1|1,0,0]=3 3118 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,1,0,0,0,1|2,0,0]=4 3119 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,1,0,0,0,1|1,0,1]=4 3120 B9R0.56 C=C(Br)CCOC(C)(C)C 34a_100009813270_100000210625 [0,1,0,0,0,1|2,0,0]=4 3121 B9R0.56 C=C(C)CCNC(C)(C)C 2230a_100000715429_100000730704 [0,1,0,0,0,1|2,0,0]=4 3122 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100000764851_100000210625 [0,1,0,0,0,1|2,0,0]=4 3123 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100015890283_100000730704 [0,1,0,0,0,1|2,0,0]=4 3124 B9R0.56 C=C(C)CCOC(C)(C)C 7a_100015890283_100000730704 [0,1,0,0,0,1|2,0,0]=4 3125 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000211941_100000730704 [0,1,0,0,0,1|2,0,0]=4 3126 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000730704_100000211941 [0,1,0,0,0,1|2,0,0]=4 3127 B9R0.56 C=C(C)CNCC(C)(C)C 2230a_100000743828_100000748629 [0,1,0,0,0,1|2,0,0]=4 3128 B9R0.56 C=C(C)CNCC(C)(C)F 2230a_100020643315_100000748629 [0,1,0,0,0,1|2,0,0]=4 3129 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [0,1,0,0,0,1|2,0,0]=4 3130 B9R0.56 C=C(C)COCC(C)(C)C 34a_100000210245_100011219605 [0,1,0,0,0,1|2,0,0]=4 3131 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000210245_100011997219 [0,1,0,0,0,1|2,0,0]=4 3132 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000716592_100000748629 [0,1,0,0,0,1|2,0,0]=4 3133 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [0,1,0,0,0,1|2,0,0]=4 3134 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100000748629_100011219605 [0,1,0,0,0,1|2,0,0]=4 3135 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100011219605_100000211660 [0,1,0,0,0,1|2,0,0]=4 3136 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100000748629_100011997219 [0,1,0,0,0,1|2,0,0]=4 3137 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100011997219_100000211660 [0,1,0,0,0,1|2,0,0]=4 3138 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [0,1,0,0,0,1|2,0,0]=4 3139 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [0,1,0,0,0,1|2,0,0]=4 3140 B9R0.56 C=C(F)CNCC(C)(C)C 2230a_100000743828_100009893438 [0,1,0,0,0,1|2,0,0]=4 3141 B9R0.56 C=C(F)CNCC(C)(C)F 2230a_100020643315_100009893438 [0,1,0,0,0,1|2,0,0]=4 3142 B9R0.56 C=C(F)CNCC(C)(C)O 2230a_100000751335_100009893438 [0,1,0,0,0,1|2,0,0]=4 3143 B9R0.56 C=C(F)COCC(C)(C)C 34a_200010262243_100011219605 [0,1,0,0,0,1|2,0,0]=4 3144 B9R0.56 C=C(F)COCC(C)(C)F 34a_100000716592_100009893438 [0,1,0,0,0,1|2,0,0]=4 3145 B9R0.56 C=C(F)COCC(C)(C)F 34a_200010262243_100011997219 [0,1,0,0,0,1|2,0,0]=4 3146 B9R0.56 C=C(F)COCC(C)(C)O 34a_200010262243_100000764493 [0,1,0,0,0,1|2,0,0]=4 3147 B9R0.56 C=C(F)CSCC(C)(C)C 62a_100000042424_100011219605 [0,1,0,0,0,1|2,0,0]=4 3148 B9R0.56 C=C(F)CSCC(C)(C)C 62a_100011219605_100000042424 [0,1,0,0,0,1|2,0,0]=4 3149 B9R0.56 C=C(F)CSCC(C)(C)F 62a_100000042424_100011997219 [0,1,0,0,0,1|2,0,0]=4 3150 B9R0.56 C=C(F)CSCC(C)(C)F 62a_100011997219_100000042424 [0,1,0,0,0,1|2,0,0]=4 3151 B9R0.56 C=C(F)CSCC(C)(C)O 62a_100000042424_100000764493 [0,1,0,0,0,1|2,0,0]=4 3152 B9R0.56 C=C(F)CSCC(C)(C)O 62a_100000764493_100000042424 [0,1,0,0,0,1|2,0,0]=4 3153 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,1,0,0,0,1|2,0,0]=4 3154 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,1,0,0,0,1|2,0,0]=4 3155 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,1,0,0,0,1|1,1,0]=4 3156 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,1,0,0,0,1|1,0,0]=3 3157 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,1,0,0,0,1|1,0,0]=3 3158 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,1,0,0,0,1|1,1,0]=4 3159 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,1,0,0,0,1|1,0,0]=3 3160 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,1,0,0,0,1|1,0,0]=3 3161 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,1,0,0,0,1|1,0,0]=3 3162 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [0,1,0,0,0,1|1,0,0]=3 3163 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,1,0,0,0,1|1,0,0]=3 3164 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,1,0,0,0,1|1,0,0]=3 3165 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,1,0,0,0,1|1,0,0]=3 3166 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,1,0,0,0,1|1,0,0]=3 3167 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,1,0,0,0,1|1,0,0]=3 3168 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,1,0,0,0,1|1,0,0]=3 3169 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,1,0,0,0,1|1,0,0]=3 3170 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,1,0,0,0,1|1,0,0]=3 3171 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,1,0,0,0,1|1,0,0]=3 3172 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,1,0,0,0,1|1,0,0]=3 3173 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,1,0,0,0,1|1,0,0]=3 3174 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,1,0,0,0,1|2,0,0]=4 3175 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,1,0,0,0,1|2,0,0]=4 3176 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,1,0,0,0,1|2,0,0]=4 3177 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,1,0,0,0,1|2,0,0]=4 3178 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,1,0,0,0,1|2,0,0]=4 3179 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,1,0,0,0,1|2,0,0]=4 3180 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,1,0,0,0,1|1,0,0]=3 3181 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,1|0,0,0]=2 3182 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,1,0,0,0,1|1,0,0]=3 3183 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,1,0,0,0,1|1,0,0]=3 3184 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,1,0,0,0,1|0,0,1]=3 3185 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,1,0,0,0,1|0,0,1]=3 3186 B9R0.56 CC(C)(C)CSC[N+](=O)[O-] 62a_100011219605_100000761209 [0,1,0,0,0,1|1,0,1]=4 3187 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,1,0,0,0,1|1,0,0]=3 3188 B9R0.56 CC(C)(C)NOCC(=O)O 269956a_100000106656_100000211941 [0,1,0,0,0,1|1,0,0]=3 3189 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,1,0,0,0,1|1,0,0]=3 3190 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,1,0,0,0,1|1,0,0]=3 3191 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,1,0,0,0,1|1,0,0]=3 3192 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,1,0,0,0,1|1,0,0]=3 3193 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,1,0,0,0,1|1,0,0]=3 3194 B9R0.56 CC(C)(F)CNCC(=O)N 2230a_100020643315_100000747473 [0,1,0,0,0,1|1,0,0]=3 3195 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,1|0,0,0]=2 3196 B9R0.56 CC(C)(F)COCC(=O)N 34a_100000716592_100000187820 [0,1,0,0,0,1|1,0,0]=3 3197 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [0,1,0,0,0,1|0,0,1]=3 3198 B9R0.56 CC(C)(F)COC[N+](=O)[O-] 34a_100000716592_100000761209 [0,1,0,0,0,1|1,0,1]=4 3199 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100000747473_100011997219 [0,1,0,0,0,1|1,0,0]=3 3200 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100011997219_100000747473 [0,1,0,0,0,1|1,0,0]=3 3201 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [0,1,0,0,0,1|0,0,1]=3 3202 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [0,1,0,0,0,1|0,0,1]=3 3203 B9R0.56 CC(C)(F)CSC[N+](=O)[O-] 62a_100011997219_100000761209 [0,1,0,0,0,1|1,0,1]=4 3204 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,1,0,0,0,1|1,0,0]=3 3205 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,1|0,0,0]=2 3206 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,1,0,0,0,1|1,0,0]=3 3207 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,1,0,0,0,1|1,0,0]=3 3208 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,1,0,0,0,1|0,0,1]=3 3209 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,1,0,0,0,1|0,0,1]=3 3210 B9R0.56 CC(C)(O)CSC[N+](=O)[O-] 62a_100000764493_100000761209 [0,1,0,0,0,1|1,0,1]=4 3211 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [0,1,0,0,0,1|1,0,1]=4 3212 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [0,1,0,0,0,1|1,0,1]=4 3213 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [0,1,0,0,0,1|1,0,1]=4 3214 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [0,1,0,0,0,1|1,0,1]=4 3215 B9R0.56 CC(C)CNCS(=O)(=O)[O-] 34a_100000210953_100009817235 [0,1,0,0,0,1|1,0,1]=4 3216 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [0,1,0,0,0,1|1,0,1]=4 3217 B9R0.56 CC(C)COCS(=O)(=O)[O-] 34a_100000210257_100009817235 [0,1,0,0,0,1|1,0,1]=4 3218 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [0,1,0,0,0,1|1,0,1]=4 3219 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [0,1,0,0,0,1|1,0,1]=4 3220 B9R0.56 CC(C)CSCS(=O)(=O)N 62a_100000210624_100000741382 [0,1,0,0,0,1|1,0,1]=4 3221 B9R0.56 CC(C)CSCS(=O)(=O)N 62a_100000741382_100000210760 [0,1,0,0,0,1|1,0,1]=4 3222 B9R0.56 CC(C)CSCS(=O)(=O)[O-] 62a_100000210624_100009817235 [0,1,0,0,0,1|1,0,1]=4 3223 B9R0.56 CC(C)CSCS(=O)(=O)[O-] 62a_100009817235_100000210760 [0,1,0,0,0,1|1,0,1]=4 3224 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [0,1,0,0,0,1|1,0,1]=4 3225 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [0,1,0,0,0,1|1,0,1]=4 3226 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100000740961_100000210206 [0,1,0,0,0,1|1,0,1]=4 3227 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100138425928_100000731031 [0,1,0,0,0,1|1,0,1]=4 3228 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100000740961_100000210206 [0,1,0,0,0,1|1,0,1]=4 3229 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100138425928_100000731031 [0,1,0,0,0,1|1,0,1]=4 3230 B9R0.56 CC(C)NCCS(=O)(=O)N 2230a_100000738205_100000210206 [0,1,0,0,0,1|1,0,1]=4 3231 B9R0.56 CC(C)NCCS(=O)(=O)N 34a_100000738205_100000210206 [0,1,0,0,0,1|1,0,1]=4 3232 B9R0.56 CC(C)NCCS(=O)(=O)[O-] 2230a_100138425928_100000737633 [0,1,0,0,0,1|1,0,1]=4 3233 B9R0.56 CC(C)NCCS(=O)(=O)[O-] 34a_100138425928_100000762736 [0,1,0,0,0,1|1,0,1]=4 3234 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,1,0,0,0,1|1,0,1]=4 3235 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000211924_100000210206 [0,1,0,0,0,1|1,0,1]=4 3236 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000212225_100000731031 [0,1,0,0,0,1|1,0,1]=4 3237 B9R0.56 CC(C)OCCS(=O)(=O)C 7a_100000211924_100000210206 [0,1,0,0,0,1|1,0,1]=4 3238 B9R0.56 CC(C)OCCS(=O)(=O)N 34a_100012334274_100000210206 [0,1,0,0,0,1|1,0,1]=4 3239 B9R0.56 CC(C)OCCS(=O)(=O)[O-] 34a_100000212225_100000762736 [0,1,0,0,0,1|1,0,1]=4 3240 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [0,1,0,0,0,1|1,0,1]=4 3241 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [0,1,0,0,0,1|1,0,1]=4 3242 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000210206_100000230027 [0,1,0,0,0,1|1,0,1]=4 3243 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000731031_100000210206 [0,1,0,0,0,1|1,0,1]=4 3244 B9R0.56 CC(C)SCCS(=O)(=O)[O-] 62a_100000210206_100000762736 [0,1,0,0,0,1|1,0,1]=4 3245 B9R0.56 CC(C)SCCS(=O)(=O)[O-] 62a_100000762736_100000210206 [0,1,0,0,0,1|1,0,1]=4 3246 B9R0.56 CC(F)(F)COCC(=O)N 34a_100000068830_100000187820 [0,1,0,0,0,1|2,0,0]=4 3247 B9R0.56 CC(F)(F)COCC(=O)[O-] 34a_100000068830_100020667443 [0,1,0,0,0,1|1,0,1]=4 3248 B9R0.56 CC(O)CCNC(C)(C)C 2230a_100000715429_100012276601 [0,1,0,0,0,1|1,0,1]=4 3249 B9R0.56 CC(O)CCOC(C)(C)C 34a_100015890283_100012276601 [0,1,0,0,0,1|1,0,1]=4 3250 B9R0.56 CC(O)CCOC(C)(C)C 7a_100015890283_100012276601 [0,1,0,0,0,1|1,0,1]=4 3251 B9R0.56 CC(O)CCSC(C)(C)C 62a_100000211941_100012276601 [0,1,0,0,0,1|1,0,1]=4 3252 B9R0.56 CC(O)CCSC(C)(C)C 62a_100012276601_100000211941 [0,1,0,0,0,1|1,0,1]=4 3253 B9R0.56 CC(O)CNCC(C)(C)C 2230a_100000743828_100011218427 [0,1,0,0,0,1|1,0,1]=4 3254 B9R0.56 CC(O)CNCC(C)(C)C 270004a_100000210904_100011204126 [0,1,0,0,0,1|1,0,1]=4 3255 B9R0.56 CC(O)CNCC(C)(C)C 34a_100000210904_100011219605 [0,1,0,0,0,1|1,0,1]=4 3256 B9R0.56 CC(O)CNCC(C)(C)F 2230a_100020643315_100011218427 [0,1,0,0,0,1|1,0,1]=4 3257 B9R0.56 CC(O)CNCC(C)(C)F 34a_100000210904_100011997219 [0,1,0,0,0,1|1,0,1]=4 3258 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [0,1,0,0,0,1|1,0,1]=4 3259 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [0,1,0,0,0,1|1,0,1]=4 3260 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [0,1,0,0,0,1|1,0,1]=4 3261 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [0,1,0,0,0,1|1,0,1]=4 3262 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [0,1,0,0,0,1|1,0,1]=4 3263 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [0,1,0,0,0,1|1,0,1]=4 3264 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [0,1,0,0,0,1|1,0,1]=4 3265 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [0,1,0,0,0,1|1,0,1]=4 3266 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [0,1,0,0,0,1|1,0,1]=4 3267 B9R0.56 C[C@@H](O)CNCC(C)(C)C 2230a_100000743828_100009817552 [0,1,0,0,0,1|1,0,1]=4 3268 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2230a_100020643315_100009817552 [0,1,0,0,0,1|1,0,1]=4 3269 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [0,1,0,0,0,1|1,0,1]=4 3270 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [0,1,0,0,0,1|1,0,1]=4 3271 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [0,1,0,0,0,1|1,0,1]=4 3272 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [0,1,0,0,0,1|1,0,1]=4 3273 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [0,1,0,0,0,1|1,0,1]=4 3274 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [0,1,0,0,0,1|1,0,1]=4 3275 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [0,1,0,0,0,1|1,0,1]=4 3276 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [0,1,0,0,0,1|1,0,1]=4 3277 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,1,0,0,0,1|2,0,0]=4 3278 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [0,1,0,0,0,1|1,0,0]=3 3279 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_100000747473_200000036245 [0,1,0,0,0,1|2,0,0]=4 3280 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_200000036245_100000747473 [0,1,0,0,0,1|2,0,0]=4 3281 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_100020667443_200000036245 [0,1,0,0,0,1|1,0,1]=4 3282 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_200000036245_100020667443 [0,1,0,0,0,1|1,0,1]=4 3283 B9R0.56 C[Si](C)(C)CNCC(=O)N 2230a_100000711301_100000037933 [0,1,0,0,0,1|1,1,0]=4 3284 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [0,1,0,0,0,1|0,1,0]=3 3285 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000037933_100000747473 [0,1,0,0,0,1|1,1,0]=4 3286 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000747473_100000037933 [0,1,0,0,0,1|1,1,0]=4 3287 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100000037933_100020667443 [0,1,0,0,0,1|0,1,1]=4 3288 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100020667443_100000037933 [0,1,0,0,0,1|0,1,1]=4 3289 B9R0.56 O=C(O)CNCC(F)(F)F 269956a_100016091260_100000763148 [0,1,0,0,0,1|2,0,0]=4 3290 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [0,2,0,0,0,0|1,0,0]=3 3291 B9R0.21 C#CC(=O)CC[N+](C)(C)C 1458a_100000211873_100000085578 [0,2,0,0,0,0|2,0,0]=4 3292 B9R0.21 C#CC(=O)CC[Si](C)(C)C 1458a_100000211873_200000733723 [0,2,0,0,0,0|1,1,0]=4 3293 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,2,0,0,0,0|1,0,0]=3 3294 B9R0.21 C=CC(=O)CC[N+](C)(C)C 1458a_100000185746_100000085578 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.21 C=CC(=O)CC[Si](C)(C)C 1458a_100000185746_200000733723 [0,2,0,0,0,0|1,1,0]=4 3296 B9R0.21 C=CC(=O)NCC(C)(C)C 1626a_100000743828_100000185746 [0,2,0,0,0,0|2,0,0]=4 3297 B9R0.21 C=CC(=O)NCC(C)(C)C 240690a_100000743828_200121576911 [0,2,0,0,0,0|2,0,0]=4 3298 B9R0.21 C=CC(=O)NCC(C)(C)F 1626a_100020643315_100000185746 [0,2,0,0,0,0|2,0,0]=4 3299 B9R0.21 C=CC(=O)NCC(C)(C)F 240690a_100020643315_200121576911 [0,2,0,0,0,0|2,0,0]=4 3300 B9R0.21 C=CC(=O)NCC(C)(C)O 1626a_100000751335_100000185746 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.21 C=CC(=O)NCC(C)(C)O 240690a_100000751335_200121576911 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [0,2,0,0,0,0|1,0,0]=3 3303 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|0,0,0]=2 3304 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [0,2,0,0,0,0|1,0,0]=3 3305 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [0,2,0,0,0,0|1,0,0]=3 3306 B9R0.21 CC(C)(C)NNC(=O)CO 22a_100000725372_100000210174 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.21 CC(C)(C)OCC(=O)CF 1458a_100000686494_100015361967 [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [0,2,0,0,0,0|1,0,0]=3 3309 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,2,0,0,0,0|1,0,0]=3 3311 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,2,0,0,0,0|1,0,0]=3 3312 B9R0.21 CC(F)(F)CCC(=O)CF 1458a_100000030992_100015361967 [0,2,0,0,0,0|2,0,0]=4 3313 B9R0.21 CC(F)(F)CNC(=O)CO 240690a_100000731000_100000210174 [0,2,0,0,0,0|2,0,0]=4 3314 B9R0.21 CC(F)(F)CNC(=O)CO 527a_100000731000_100000210174 [0,2,0,0,0,0|2,0,0]=4 3315 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,2,0,0,0,0|1,0,0]=3 3316 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,2,0,0,0,0|1,0,0]=3 3317 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,2,0,0,0,0|2,0,0]=4 3319 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,2,0,0,0,0|1,1,0]=4 3320 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,2,0,0,0,0|1,1,0]=4 3321 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [0,2,0,0,0,0|2,0,0]=4 3322 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [0,2,0,0,0,0|2,0,0]=4 3323 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 3330 B9R0.21 CCC(=O)NCC(C)(C)F 11a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 3331 B9R0.21 CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 3332 B9R0.21 CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 3333 B9R0.21 CCC(=O)NCC(C)(C)F 527a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 3334 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 3335 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 3337 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,2,0,0,0,0|1,0,0]=3 3338 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 3339 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 3340 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 3341 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 3346 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 3347 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 3348 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [0,2,0,0,0,0|2,0,0]=4 3349 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [0,2,0,0,0,0|2,0,0]=4 3350 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 3351 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [0,2,0,0,0,0|2,0,0]=4 3361 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [0,2,0,0,0,0|2,0,0]=4 3362 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [0,2,0,0,0,0|2,0,0]=4 3363 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [0,2,0,0,0,0|2,0,0]=4 3364 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100020643315_106832991635 [0,2,0,0,0,0|2,0,0]=4 3365 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100102657272_100020643315 [0,2,0,0,0,0|2,0,0]=4 3366 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100020643315_100102657272 [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100102657272_100020643315 [0,2,0,0,0,0|2,0,0]=4 3368 B9R0.21 CNC(=O)NCC(C)(C)F 512a_100020643315_100102657272 [0,2,0,0,0,0|2,0,0]=4 3369 B9R0.21 CNC(=O)NCC(C)(C)F 512a_106832991638_100020643315 [0,2,0,0,0,0|2,0,0]=4 3370 B9R0.21 CNC(=O)NCC(C)(C)O 2708a_100102657272_100000751335 [0,2,0,0,0,0|2,0,0]=4 3371 B9R0.21 CNC(=O)NCC(C)(C)O 273464a_100102657272_100000751335 [0,2,0,0,0,0|2,0,0]=4 3372 B9R0.21 CNC(=O)NCC(C)(C)O 512a_100000751335_100102657272 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.21 CNC(=O)NCC(C)(C)O 512a_106832991638_100000751335 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,2,0,0,0,0|1,0,0]=3 3375 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,2,0,0,0,0|1,0,0]=3 3376 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,2,0,0,0,0|1,0,0]=3 3377 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,2,0,0,0,0|1,0,0]=3 3378 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,2,0,0,0,0|1,0,0]=3 3379 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,2,0,0,0,0|1,0,0]=3 3381 B9R0.21 C[Si](C)(C)CCC(=O)CF 1458a_100011215282_100015361967 [0,2,0,0,0,0|1,1,0]=4 3382 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,2,0,0,0,0|0,1,0]=3 3383 B9R0.21 C[Si](C)(C)CNC(=O)CO 240690a_102516607284_100000210174 [0,2,0,0,0,0|1,1,0]=4 3384 B9R0.21 C[Si](C)(C)CNC(=O)CO 527a_102516607284_100000210174 [0,2,0,0,0,0|1,1,0]=4 3385 B9R0.21 O=C(CO)CCC(F)(F)F 1458a_100000210174_100011219754 [0,2,0,0,0,0|2,0,0]=4 3386 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,2,0,0,0,0|1,0,0]=3 3387 B9R0.23 C#CC(C)N(C)CC(=O)O 269956a_100000746989_200000035995 [0,2,0,0,0,0|1,0,1]=4 3388 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,2,0,0,0,0|1,0,0]=3 3389 B9R0.23 C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000185746 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.23 C=CC(=O)N(C)CC(C)C 240690a_100000747067_200121576911 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.23 C=CC(C)N(C)CC(=O)O 269956a_100000746989_100011215867 [0,2,0,0,0,0|1,0,1]=4 3392 B9R0.23 CC(C#N)N(C)CC(=O)O 269956a_100000746989_100000184139 [0,2,0,0,0,0|1,0,1]=4 3393 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|0,0,0]=2 3394 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,2,0,0,0,0|1,0,0]=3 3395 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,2,0,0,0,0|1,0,0]=3 3396 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,2,0,0,0,0|1,0,0]=3 3397 B9R0.23 CC(C)OC(C)C(=O)NN 34a_100000725659_100000210206 [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.23 CC(CN(C)C)C(=O)CF 1458a_200015186601_100015361967 [0,2,0,0,0,0|2,0,0]=4 3399 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000693034_100000747473 [0,2,0,0,0,0|2,0,0]=4 3400 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000739694_100012180447 [0,2,0,0,0,0|2,0,0]=4 3401 B9R0.23 CC(CO)N(C)CC(=O)N 269982a_100000693034_100000187820 [0,2,0,0,0,0|2,0,0]=4 3402 B9R0.23 CC(CO)N(C)CC(=O)[O-] 269982a_100000693034_100020667443 [0,2,0,0,0,0|1,0,1]=4 3403 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 3404 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 3405 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,2,0,0,0,0|1,0,0]=3 3406 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,2,0,0,0,0|2,0,0]=4 3407 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,2,0,0,0,0|1,0,0]=3 3415 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,2,0,0,0,0|1,0,1]=4 3416 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,2,0,0,0,0|1,0,1]=4 3417 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,2,0,0,0,0|0,0,2]=4 3418 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,2,0,0,0,0|1,0,0]=3 3422 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,2,0,0,0,0|1,0,1]=4 3423 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|1,0,1]=4 3426 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 3428 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [0,2,0,0,0,0|2,0,0]=4 3436 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [0,2,0,0,0,0|2,0,0]=4 3437 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,2,0,0,0,0|2,0,0]=4 3440 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 3443 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 3444 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 3445 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 3446 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 3447 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 3448 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,2,0,0,0,0|1,0,0]=3 3449 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,2,0,0,0,0|1,0,0]=3 3450 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,2,0,0,0,0|1,0,0]=3 3451 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|1,0,0]=3 3452 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|1,0,0]=3 3453 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,2,0,0,0,0|1,0,0]=3 3454 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,2,0,0,0,0|1,0,0]=3 3455 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,2,0,0,0,0|1,0,1]=4 3456 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,2,0,0,0,0|0,0,2]=4 3457 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,2,0,0,0,0|1,0,0]=3 3458 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,2,0,0,0,0|1,0,1]=4 3459 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,2,0,0,0,0|0,0,2]=4 3460 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,2,0,0,0,0|1,0,0]=3 3461 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,2,0,0,0,0|1,0,1]=4 3462 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,2,0,0,0,0|1,0,1]=4 3463 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,2,0,0,0,0|1,0,1]=4 3464 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,2,0,0,0,0|1,0,1]=4 3465 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.24 C=CC(=O)NCC(C)CO 240690a_100000744482_200121576911 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.24 C=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000185746 [0,2,0,0,0,0|2,0,0]=4 3470 B9R0.24 C=CC(=O)NC[C@@H](C)OC 240690a_100020591295_200121576911 [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,2,0,0,0,0|1,0,1]=4 3472 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,2,0,0,0,0|1,0,1]=4 3473 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|1,0,0]=3 3474 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|1,0,0]=3 3475 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|1,0,1]=4 3476 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|1,0,0]=3 3477 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,2,0,0,0,0|2,0,0]=4 3478 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,2,0,0,0,0|2,0,0]=4 3479 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 3493 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 3494 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 3496 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 3499 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,2,0,0,0,0|1,0,0]=3 3500 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,2,0,0,0,0|1,0,0]=3 3501 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 3502 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 3503 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 3504 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,2,0,0,0,0|1,0,1]=4 3505 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,2,0,0,0,0|1,0,1]=4 3506 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 3507 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 3508 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,2,0,0,0,0|2,0,0]=4 3511 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,2,0,0,0,0|2,0,0]=4 3512 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,2,0,0,0,0|2,0,0]=4 3515 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,2,0,0,0,0|2,0,0]=4 3516 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|1,0,0]=3 3517 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,2,0,0,0,0|2,0,0]=4 3518 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|1,0,0]=3 3521 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|1,0,0]=3 3524 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|1,0,0]=3 3525 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 3526 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 3527 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 3529 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,2,0,0,0,0|2,0,0]=4 3531 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,2,0,0,0,0|2,0,0]=4 3532 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,2,0,0,0,0|2,0,0]=4 3533 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 3536 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 3537 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 3538 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 3539 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|1,0,0]=3 3540 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 3541 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 3542 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|1,0,1]=4 3543 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 3544 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 3545 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 3546 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,2,0,0,0,0|2,0,0]=4 3547 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,2,0,0,0,0|2,0,0]=4 3549 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 3566 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|1,0,1]=4 3570 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|1,0,0]=3 3571 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,2,0,0,0,0|1,0,1]=4 3572 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|1,0,0]=3 3573 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,2,0,0,0,0|1,0,1]=4 3574 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|1,0,0]=3 3576 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 3577 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,2,0,0,0,0|1,0,1]=4 3578 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,2,0,0,0,0|1,0,1]=4 3579 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|1,0,0]=3 3580 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|1,0,0]=3 3581 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|1,0,0]=3 3582 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|1,0,0]=3 3583 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|1,0,0]=3 3584 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,2,0,0,0,0|1,0,0]=3 3585 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,2,0,0,0,0|1,0,0]=3 3586 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3588 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 3589 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.42 C#CC(=O)CC(=O)C(C)C 1458a_100000211873_100000753385 [0,2,0,0,0,0|1,0,1]=4 3591 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,2,0,0,0,0|1,0,1]=4 3592 B9R0.42 C=CC(=O)CC(=O)C(C)C 1458a_100000185746_100000753385 [0,2,0,0,0,0|1,0,1]=4 3593 B9R0.42 C=CC(=O)NC(C)C(C)C 1626a_100000211541_100000185746 [0,2,0,0,0,0|2,0,0]=4 3594 B9R0.42 C=CC(=O)NC(C)C(C)C 240690a_100000211541_200121576911 [0,2,0,0,0,0|2,0,0]=4 3595 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,2,0,0,0,0|1,0,1]=4 3596 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,2,0,0,0,0|2,0,0]=4 3598 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,2,0,0,0,0|2,0,0]=4 3599 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,2,0,0,0,0|2,0,0]=4 3600 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,2,0,0,0,0|1,0,1]=4 3603 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,2,0,0,0,0|0,0,1]=3 3604 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,2,0,0,0,0|1,0,0]=3 3605 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,2,0,0,0,0|1,0,0]=3 3606 B9R0.42 CC(C)N(C)CC(=O)CF 1458a_100000743827_100015361967 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.42 CC(CC(=O)CF)N(C)C 1458a_100011311895_100015361967 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.42 CC(CF)OC(F)C(=O)N 34a_100016041109_100009813875 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.42 CC(CF)OC(F)C(=O)N 7a_100016041109_100009813875 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.42 CC(CF)OC(F)C(=O)[O-] 34a_100016041109_100020610796 [0,2,0,0,0,0|1,0,1]=4 3613 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.42 CC(CN)OC(F)C(=O)N 34a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.42 CC(CN)OC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,2,0,0,0,0|1,0,1]=4 3616 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,2,0,0,0,0|1,0,1]=4 3619 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,2,0,0,0,0|2,0,0]=4 3620 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,2,0,0,0,0|2,0,0]=4 3621 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,2,0,0,0,0|1,0,1]=4 3624 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,2,0,0,0,0|2,0,0]=4 3626 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|1,0,1]=4 3628 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|1,0,1]=4 3629 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 3634 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 3636 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,2,0,0,0,0|2,0,0]=4 3642 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,2,0,0,0,0|2,0,0]=4 3643 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|1,0,0]=3 3644 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,2,0,0,0,0|1,0,1]=4 3651 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,2,0,0,0,0|2,0,0]=4 3652 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,2,0,0,0,0|2,0,0]=4 3653 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,2,0,0,0,0|2,0,0]=4 3659 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,2,0,0,0,0|1,0,1]=4 3660 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,2,0,0,0,0|1,0,1]=4 3661 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.42 CN(C)C(=O)CC(=O)CO 1458a_100000210174_100000185267 [0,2,0,0,0,0|1,0,1]=4 3664 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,2,0,0,0,0|1,0,1]=4 3665 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 3666 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 3668 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3669 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3670 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3671 B9R0.42 CNC(=O)CN(C)C(C)C 11a_106832991635_100000743827 [0,2,0,0,0,0|2,0,0]=4 3672 B9R0.42 CNC(=O)CN(C)C(C)C 1626a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 3673 B9R0.42 CNC(=O)CN(C)C(C)C 2230a_100000189611_100000210206 [0,2,0,0,0,0|2,0,0]=4 3674 B9R0.42 CNC(=O)CN(C)C(C)C 240690a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 3675 B9R0.42 CNC(=O)CN(C)C(C)C 269982a_200000211004_100000183359 [0,2,0,0,0,0|2,0,0]=4 3676 B9R0.42 CNC(=O)CN(C)C(C)C 527a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 3677 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [0,2,0,0,0,0|2,0,0]=4 3679 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [0,2,0,0,0,0|2,0,0]=4 3680 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [0,2,0,0,0,0|2,0,0]=4 3681 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [0,2,0,0,0,0|2,0,0]=4 3682 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [0,2,0,0,0,0|2,0,0]=4 3683 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,2,0,0,0,0|0,0,1]=3 3684 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,2,0,0,0,0|0,0,1]=3 3685 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,2,0,0,0,0|1,0,1]=4 3686 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,2,0,0,0,0|1,0,1]=4 3687 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,2,0,0,0,0|1,0,1]=4 3688 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,2,0,0,0,0|1,0,1]=4 3689 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|1,0,1]=4 3690 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|1,0,1]=4 3691 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,2,0,0,0,0|1,0,0]=3 3692 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,2,0,0,0,0|1,0,0]=3 3693 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,2,0,0,0,0|1,0,0]=3 3694 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,2,0,0,0,0|1,0,0]=3 3695 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,2,0,0,0,0|1,0,0]=3 3696 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,2,0,0,0,0|2,0,0]=4 3697 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,2,0,0,0,0|2,0,0]=4 3698 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009813875_100009879195 [0,2,0,0,0,0|2,0,0]=4 3701 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009879195_100009813875 [0,2,0,0,0,0|2,0,0]=4 3702 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100009879195_100020610796 [0,2,0,0,0,0|1,0,1]=4 3703 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100020610796_100009879195 [0,2,0,0,0,0|1,0,1]=4 3704 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,2,0,0,0,0|2,0,0]=4 3705 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,2,0,0,0,0|1,0,0]=3 3706 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,2,0,0,0,0|2,0,0]=4 3707 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,2,0,0,0,0|2,0,0]=4 3708 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,2,0,0,0,0|1,0,1]=4 3709 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,2,0,0,0,0|1,0,1]=4 3710 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,2,0,0,0,0|2,0,0]=4 3711 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,2,0,0,0,0|2,0,0]=4 3712 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,2,0,0,0,0|2,0,0]=4 3713 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,2,0,0,0,0|2,0,0]=4 3714 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,2,0,0,0,0|2,0,0]=4 3715 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [0,2,0,0,0,0|2,0,0]=4 3716 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,2,0,0,0,0|1,0,0]=3 3717 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,2,0,0,0,0|2,0,0]=4 3718 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [0,2,0,0,0,0|2,0,0]=4 3719 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,2,0,0,0,0|2,0,0]=4 3720 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [0,2,0,0,0,0|1,0,1]=4 3723 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [0,2,0,0,0,0|1,0,1]=4 3724 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,2,0,0,0,0|1,0,1]=4 3725 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,2,0,0,0,0|1,0,1]=4 3726 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,2,0,0,0,0|1,0,1]=4 3727 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,2,0,0,0,0|1,0,1]=4 3728 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,2,0,0,0,0|2,0,0]=4 3729 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,2,0,0,0,0|2,0,0]=4 3731 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,2,0,0,0,0|2,0,0]=4 3732 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,2,0,0,0,0|2,0,0]=4 3733 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,2,0,0,0,0|2,0,0]=4 3734 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,2,0,0,0,0|2,0,0]=4 3735 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,2,0,0,0,0|2,0,0]=4 3736 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [0,2,0,0,0,0|2,0,0]=4 3737 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [0,2,0,0,0,0|2,0,0]=4 3738 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [0,2,0,0,0,0|2,0,0]=4 3739 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.43 CC[C@@H](CO)NCC(=O)N 2230a_100000709445_100000747473 [0,2,0,0,0,0|2,0,0]=4 3742 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,2,0,0,0,0|1,0,0]=3 3743 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,2,0,0,0,0|1,0,0]=3 3744 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,2,0,0,0,0|1,0,0]=3 3745 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,2,0,0,0,0|2,0,0]=4 3746 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [0,2,0,0,0,0|2,0,0]=4 3747 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [0,2,0,0,0,0|2,0,0]=4 3748 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [0,2,0,0,0,0|2,0,0]=4 3749 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [0,2,0,0,0,0|2,0,0]=4 3750 B9R0.43 NC(=O)CNC(CO)CO 2230a_100000759517_100000747473 [0,2,0,0,0,0|2,0,0]=4 3751 B9R0.43 NC(=O)COC(CCl)CCl 7a_100000737055_100000187820 [0,2,0,0,0,0|2,0,0]=4 3752 B9R0.43 NC(=O)COC(CF)CF 34a_100000032261_100000187820 [0,2,0,0,0,0|2,0,0]=4 3753 B9R0.43 NC(=O)COC(CF)CF 7a_100000032261_100000187820 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.43 NC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000187820 [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.43 NC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000187820 [0,2,0,0,0,0|2,0,0]=4 3756 B9R0.43 NCC(CN)OCC(=O)N 34a_100000031598_100000187820 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.43 NCC(CN)OCC(=O)[O-] 34a_100000031598_100020667443 [0,2,0,0,0,0|1,0,1]=4 3758 B9R0.43 O=C([O-])COC(CF)CF 34a_100000032261_100020667443 [0,2,0,0,0,0|1,0,1]=4 3759 B9R0.43 O=C([O-])CO[C@@H](CF)CCl 34a_100015614560_100020667443 [0,2,0,0,0,0|1,0,1]=4 3760 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,2,0,0,0,0|1,0,0]=3 3761 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,2,0,0,0,0|1,0,0]=3 3762 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.48 C#CCC(=O)CC[S+](C)C 1458a_100009452791_100000184674 [0,2,0,0,0,0|2,0,0]=4 3764 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,2,0,0,0,0|2,0,0]=4 3765 B9R0.48 C#CCC(=O)CSC(C)C 1458a_100000241585_100000184674 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.48 C#CCC(C)OCC(=O)N 34a_100000685586_100000187820 [0,2,0,0,0,0|2,0,0]=4 3769 B9R0.48 C#CCC(C)OCC(=O)N 7a_100000685586_100000187820 [0,2,0,0,0,0|2,0,0]=4 3770 B9R0.48 C#CCC(C)OCC(=O)[O-] 34a_100000685586_100020667443 [0,2,0,0,0,0|1,0,1]=4 3771 B9R0.48 C#CCN(C)CCC(=O)N 2230a_100000225692_100000744528 [0,2,0,0,0,0|2,0,0]=4 3772 B9R0.48 C#CCN(C)CCC(=O)N 2230a_100000730477_100000038162 [0,2,0,0,0,0|2,0,0]=4 3773 B9R0.48 C#CCN(C)CCC(=O)N 34a_100000225692_100000731001 [0,2,0,0,0,0|2,0,0]=4 3774 B9R0.48 C/C=C/C(C)OCC(=O)N 34a_200102604097_100000187820 [0,2,0,0,0,0|2,0,0]=4 3775 B9R0.48 C/C=C/C(C)OCC(=O)[O-] 34a_200102604097_100020667443 [0,2,0,0,0,0|1,0,1]=4 3776 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|0,0,2]=4 3777 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|0,0,2]=4 3778 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|0,0,2]=4 3779 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,2,0,0,0,0|2,0,0]=4 3780 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,2,0,0,0,0|1,0,0]=3 3781 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,2,0,0,0,0|1,0,0]=3 3782 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,2,0,0,0,0|2,0,0]=4 3783 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [0,2,0,0,0,0|2,0,0]=4 3784 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,2,0,0,0,0|2,0,0]=4 3785 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,2,0,0,0,0|2,0,0]=4 3786 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 3787 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 3788 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 3789 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000225617_100000744528 [0,2,0,0,0,0|2,0,0]=4 3792 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000730477_100000210623 [0,2,0,0,0,0|2,0,0]=4 3793 B9R0.48 C=CCN(C)CCC(=O)N 269982a_100000225617_100000744528 [0,2,0,0,0,0|2,0,0]=4 3794 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [0,2,0,0,0,0|2,0,0]=4 3795 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [0,2,0,0,0,0|2,0,0]=4 3796 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [0,2,0,0,0,0|1,0,1]=4 3797 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,2,0,0,0,0|1,0,0]=3 3798 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,2,0,0,0,0|1,0,0]=3 3799 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,2,0,0,0,0|1,0,0]=3 3800 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,2,0,0,0,0|1,0,0]=3 3801 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,2,0,0,0,0|1,0,0]=3 3802 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,2,0,0,0,0|1,0,0]=3 3803 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|2,0,0]=4 3804 B9R0.48 CC#CC(C)OCC(=O)N 34a_100011216543_100000187820 [0,2,0,0,0,0|2,0,0]=4 3805 B9R0.48 CC#CC(C)OCC(=O)[O-] 34a_100011216543_100020667443 [0,2,0,0,0,0|1,0,1]=4 3806 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,2,0,0,0,0|0,0,2]=4 3807 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,2,0,0,0,0|0,0,2]=4 3808 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,2,0,0,0,0|2,0,0]=4 3809 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,2,0,0,0,0|2,0,0]=4 3810 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,2,0,0,0,0|2,0,0]=4 3811 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,2,0,0,0,0|2,0,0]=4 3812 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|0,0,2]=4 3813 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,2,0,0,0,0|1,0,0]=3 3814 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,2,0,0,0,0|1,0,0]=3 3815 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,2,0,0,0,0|1,0,0]=3 3816 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,2,0,0,0,0|1,0,0]=3 3817 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,2,0,0,0,0|1,0,0]=3 3818 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,2,0,0,0,0|1,0,0]=3 3819 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|0,0,0]=2 3820 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|0,0,0]=2 3821 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,2,0,0,0,0|1,0,1]=4 3822 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,2,0,0,0,0|1,0,1]=4 3823 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,2,0,0,0,0|2,0,0]=4 3828 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.48 CC(C)CNC(=O)C=CBr 1626a_100000210953_100016273825 [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.48 CC(C)CNC(=O)C=CBr 240690a_100000210953_100016273825 [0,2,0,0,0,0|2,0,0]=4 3831 B9R0.48 CC(C)CNC(=O)C=CCl 11a_100000210953_200016279998 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.48 CC(C)CNC(=O)C=CCl 1626a_100000210953_200016279998 [0,2,0,0,0,0|2,0,0]=4 3833 B9R0.48 CC(C)CNC(=O)C=CCl 240690a_100000210953_200016279998 [0,2,0,0,0,0|2,0,0]=4 3834 B9R0.48 CC(C)CNC(=O)C=CI 1626a_100000210953_100016256311 [0,2,0,0,0,0|2,0,0]=4 3835 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [0,2,0,0,0,0|2,0,0]=4 3836 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [0,2,0,0,0,0|2,0,0]=4 3837 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,2,0,0,0,0|1,0,0]=3 3838 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,2,0,0,0,0|1,1,0]=4 3839 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,2,0,0,0,0|1,1,0]=4 3840 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,2,0,0,0,0|1,0,0]=3 3841 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,2,0,0,0,0|1,0,0]=3 3842 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,2,0,0,0,0|2,0,0]=4 3843 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,2,0,0,0,0|2,0,0]=4 3844 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,2,0,0,0,0|2,0,0]=4 3845 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|1,0,0]=3 3846 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|1,0,0]=3 3847 B9R0.48 CC(C)SCC(=O)CC#N 1458a_100000241585_100011214920 [0,2,0,0,0,0|2,0,0]=4 3848 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,2,0,0,0,0|2,0,0]=4 3849 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|1,0,0]=3 3850 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|1,0,0]=3 3851 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|1,0,0]=3 3852 B9R0.48 CC(CC#N)NCC(=O)N 2230a_100000711301_100009813641 [0,2,0,0,0,0|2,0,0]=4 3853 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,2,0,0,0,0|1,0,0]=3 3854 B9R0.48 CC(CC#N)SCC(=O)N 62a_100000747473_100009813641 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.48 CC(CC#N)SCC(=O)N 62a_100009813641_100000747473 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.48 CC(CC#N)SCC(=O)[O-] 62a_100009813641_100020667443 [0,2,0,0,0,0|1,0,1]=4 3857 B9R0.48 CC(CC#N)SCC(=O)[O-] 62a_100020667443_100009813641 [0,2,0,0,0,0|1,0,1]=4 3858 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,2,0,0,0,0|2,0,0]=4 3859 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,2,0,0,0,0|1,0,1]=4 3860 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,2,0,0,0,0|2,0,0]=4 3861 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,2,0,0,0,0|1,0,0]=3 3862 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,2,0,0,0,0|2,0,0]=4 3864 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,2,0,0,0,0|1,0,1]=4 3865 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,2,0,0,0,0|1,0,1]=4 3866 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,2,0,0,0,0|2,0,0]=4 3868 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,2,0,0,0,0|2,0,0]=4 3869 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,2,0,0,0,0|2,0,0]=4 3870 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|1,0,0]=3 3871 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|2,0,0]=4 3872 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|1,0,0]=3 3873 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|2,0,0]=4 3874 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,2,0,0,0,0|2,0,0]=4 3876 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|1,0,0]=3 3878 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|1,0,0]=3 3879 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|2,0,0]=4 3880 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|2,0,0]=4 3881 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|2,0,0]=4 3883 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,2,0,0,0,0|2,0,0]=4 3884 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,2,0,0,0,0|2,0,0]=4 3885 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3890 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,2,0,0,0,0|2,0,0]=4 3891 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,2,0,0,0,0|2,0,0]=4 3892 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,2,0,0,0,0|1,0,0]=3 3893 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,2,0,0,0,0|2,0,0]=4 3894 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,2,0,0,0,0|2,0,0]=4 3895 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,2,0,0,0,0|2,0,0]=4 3896 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,2,0,0,0,0|1,0,1]=4 3897 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,2,0,0,0,0|2,0,0]=4 3898 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,2,0,0,0,0|2,0,0]=4 3899 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,2,0,0,0,0|1,0,1]=4 3900 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,2,0,0,0,0|1,0,1]=4 3901 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,2,0,0,0,0|2,0,0]=4 3902 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,2,0,0,0,0|2,0,0]=4 3903 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,2,0,0,0,0|2,0,0]=4 3904 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,2,0,0,0,0|2,0,0]=4 3905 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 3906 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 3907 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 3908 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3909 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 3912 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3913 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|2,0,0]=4 3915 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,2,0,0,0,0|2,0,0]=4 3916 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 3918 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3919 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|2,0,0]=4 3921 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3922 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3923 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3924 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3925 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3929 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3930 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3931 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3932 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3933 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,2,0,0,0,0|2,0,0]=4 3934 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|1,0,1]=4 3935 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|1,0,1]=4 3936 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 3937 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 3938 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 3939 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 3940 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 3941 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 3942 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 3943 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 3944 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,0]=3 3945 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|1,0,0]=3 3946 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|1,0,0]=3 3947 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 3948 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|1,0,1]=4 3949 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 3950 B9R0.48 CN(CC#N)CCC(=O)N 2230a_100000730477_100011215382 [0,2,0,0,0,0|2,0,0]=4 3951 B9R0.48 CN(CC#N)CCC(=O)N 2230a_100000748184_100000744528 [0,2,0,0,0,0|2,0,0]=4 3952 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [0,2,0,0,0,0|2,0,0]=4 3953 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,2,0,0,0,0|2,0,0]=4 3954 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,2,0,0,0,0|2,0,0]=4 3955 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,2,0,0,0,0|2,0,0]=4 3956 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,2,0,0,0,0|2,0,0]=4 3957 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 3958 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,2,0,0,0,0|2,0,0]=4 3959 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 3960 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,2,0,0,0,0|2,0,0]=4 3961 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,2,0,0,0,0|2,0,0]=4 3962 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,2,0,0,0,0|2,0,0]=4 3963 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,2,0,0,0,0|1,0,0]=3 3964 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,2,0,0,0,0|2,0,0]=4 3965 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,2,0,0,0,0|2,0,0]=4 3966 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,2,0,0,0,0|2,0,0]=4 3967 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,2,0,0,0,0|2,0,0]=4 3968 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 3969 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 3970 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|0,0,2]=4 3972 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|0,0,0]=2 3973 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|1,0,0]=3 3974 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3975 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3976 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3977 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3979 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 3980 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,2,0,0,0,0|2,0,0]=4 3983 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,2,0,0,0,0|2,0,0]=4 3984 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,2,0,0,0,0|2,0,0]=4 3985 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,2,0,0,0,0|1,0,0]=3 3986 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,2,0,0,0,0|2,0,0]=4 3987 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,2,0,0,0,0|2,0,0]=4 3988 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,2,0,0,0,0|2,0,0]=4 3989 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,2,0,0,0,0|1,0,1]=4 3990 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,2,0,0,0,0|1,0,1]=4 3991 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,2,0,0,0,0|2,0,0]=4 3992 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 3993 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 3994 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,2,0,0,0,0|2,0,0]=4 3995 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,2,0,0,0,0|1,0,1]=4 3997 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,2,0,0,0,0|0,1,0]=3 3998 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|1,1,0]=4 3999 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 4000 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 4001 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 4002 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 4003 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,2,0,0,0,0|1,1,0]=4 4004 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,2,0,0,0,0|1,1,0]=4 4005 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,2,0,0,0,0|2,0,0]=4 4007 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.48 C[C@@H](CC#N)NCC(=O)N 2230a_100016994482_100000747473 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,2,0,0,0,0|1,0,1]=4 4012 B9R0.48 C[S+](C)CCC(=O)CC#N 1458a_100009452791_100011214920 [0,2,0,0,0,0|2,0,0]=4 4013 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,2,0,0,0,0|2,0,0]=4 4014 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|1,0,0]=3 4015 B9R0.64 C#CC(C)(C)NCC(=O)N 34a_100000054563_100000187820 [0,2,0,0,0,0|2,0,0]=4 4016 B9R0.64 C#CC(C)(C)NCC(=O)O 269956a_100016091260_100000038118 [0,2,0,0,0,0|1,0,0]=3 4017 B9R0.64 C#CC(C)(C)NCC(=O)[O-] 34a_100000054563_100020667443 [0,2,0,0,0,0|1,0,1]=4 4018 B9R0.64 C#CC(C)(C)OCC(=O)C 34a_100000211253_100000038118 [0,2,0,0,0,0|2,0,0]=4 4019 B9R0.64 C#CC(C)(C)OCC(=O)N 34a_100000189450_100000187820 [0,2,0,0,0,0|2,0,0]=4 4020 B9R0.64 C#CC(C)(C)OCC(=O)N 7a_100000189450_100000187820 [0,2,0,0,0,0|2,0,0]=4 4021 B9R0.64 C#CC(C)(C)OCC(=O)[O-] 34a_100000189450_100020667443 [0,2,0,0,0,0|1,0,1]=4 4022 B9R0.64 C#CC(C)(C)SCC(=O)N 62a_100000038118_100000747473 [0,2,0,0,0,0|2,0,0]=4 4023 B9R0.64 C#CC(C)(C)SCC(=O)N 62a_100000747473_100000038118 [0,2,0,0,0,0|2,0,0]=4 4024 B9R0.64 C#CC(C)(C)SCC(=O)[O-] 62a_100000038118_100020667443 [0,2,0,0,0,0|1,0,1]=4 4025 B9R0.64 C#CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000038118 [0,2,0,0,0,0|1,0,1]=4 4026 B9R0.64 C=CC(C)(C)OCC(=O)N 34a_100011215311_100000187820 [0,2,0,0,0,0|2,0,0]=4 4027 B9R0.64 C=CC(C)(C)OCC(=O)N 7a_100011215311_100000187820 [0,2,0,0,0,0|2,0,0]=4 4028 B9R0.64 C=CC(C)(C)OCC(=O)[O-] 34a_100011215311_100020667443 [0,2,0,0,0,0|1,0,1]=4 4029 B9R0.64 CC(=O)COC(C)(C)C#N 34a_100000211253_100011162410 [0,2,0,0,0,0|2,0,0]=4 4030 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,2,0,0,0,0|2,0,0]=4 4031 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,2,0,0,0,0|2,0,0]=4 4032 B9R0.64 CC(C)(C#N)OCC(=O)N 34a_200015195151_100000187820 [0,2,0,0,0,0|2,0,0]=4 4033 B9R0.64 CC(C)(C#N)OCC(=O)[O-] 34a_200015195151_100020667443 [0,2,0,0,0,0|1,0,1]=4 4034 B9R0.64 CC(C)(C#N)SCC(=O)N 62a_100000747473_100011162410 [0,2,0,0,0,0|2,0,0]=4 4035 B9R0.64 CC(C)(C#N)SCC(=O)N 62a_100011162410_100000747473 [0,2,0,0,0,0|2,0,0]=4 4036 B9R0.64 CC(C)(C#N)SCC(=O)[O-] 62a_100011162410_100020667443 [0,2,0,0,0,0|1,0,1]=4 4037 B9R0.64 CC(C)(C#N)SCC(=O)[O-] 62a_100020667443_100011162410 [0,2,0,0,0,0|1,0,1]=4 4038 B9R0.64 CC(C)(CCl)OCC(=O)N 7a_100000764493_100000187820 [0,2,0,0,0,0|2,0,0]=4 4039 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [0,2,0,0,0,0|2,0,0]=4 4040 B9R0.64 CC(C)CCC(C)(C)O[13CH3] 7a_200011218267_200025704644 [0,2,0,0,0,0|1,0,1]=4 4041 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,2,0,0,0,0|2,0,0]=4 4042 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,2,0,0,0,0|1,0,0]=3 4043 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,2,0,0,0,0|2,0,0]=4 4044 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,2,0,0,0,0|2,0,0]=4 4045 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,2,0,0,0,0|2,0,0]=4 4046 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,2,0,0,0,0|1,0,1]=4 4047 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,2,0,0,0,0|1,0,1]=4 4048 B9R0.64 CNS(=O)(=O)CCC(C)C 270084a_100102657272_100000750698 [0,2,0,0,0,0|1,0,1]=4 4049 B9R0.64 CNS(=O)(=O)CCC(C)C 274078a_100102657272_100000750698 [0,2,0,0,0,0|1,0,1]=4 4050 B9R0.64 COC(C)(C)CCC(C)C 34a_100138415774_200000037585 [0,2,0,0,0,0|1,0,1]=4 4051 B9R0.64 COC(C)(C)CCC(C)C 7a_200011218267_200000210301 [0,2,0,0,0,0|1,0,1]=4 4052 B9R0.64 COC(C)(C)CNC(=O)C 11a_100000763424_100015343762 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.64 COC(C)(C)CNC(=O)C 1626a_100000763424_100015343762 [0,2,0,0,0,0|2,0,0]=4 4054 B9R0.64 COC(C)(C)CNC(=O)C 240690a_100000763424_100015343762 [0,2,0,0,0,0|2,0,0]=4 4055 B9R0.64 COC(C)(C)CNC(=O)C 527a_100000763424_100103153847 [0,2,0,0,0,0|2,0,0]=4 4056 B9R0.64 O=C(O)CNC(F)(F)CO 269956a_100016091260_100011217949 [0,2,0,0,0,0|2,0,0]=4 4057 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,2,0,0,0,0|1,0,1]=4 4058 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 4059 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 4060 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 4061 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,2,0,0,0,0|2,0,0]=4 4062 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,2,0,0,0,0|2,0,0]=4 4063 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,2,0,0,0,0|2,0,0]=4 4064 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,2,0,0,0,0|2,0,0]=4 4066 B9R0.10 CC(C)(C)C(=O)CC(=O)N 1458a_106744555173_100000187820 [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [0,2,0,0,0,0|0,0,2]=4 4068 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,2,0,0,0,0|1,0,0]=3 4069 B9R0.10 CC(C)(F)C(=O)CC(=O)N 1458a_100000765255_100000187820 [0,2,0,0,0,0|1,0,1]=4 4070 B9R0.10 CC(C)(F)C(=O)CC(=O)[O-] 1458a_100000765255_100020667443 [0,2,0,0,0,0|0,0,2]=4 4071 B9R0.10 CC(C)(O)C(=O)CC(=O)N 1458a_100000242741_100000187820 [0,2,0,0,0,0|1,0,1]=4 4072 B9R0.10 CC(C)(O)C(=O)CC(=O)[O-] 1458a_100000242741_100020667443 [0,2,0,0,0,0|0,0,2]=4 4073 B9R0.10 CN(CC(=O)N)C(C)(C)C 269982a_100011215553_100000187820 [0,2,0,0,0,0|2,0,0]=4 4074 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,2,0,0,0,0|1,0,0]=3 4075 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,2,0,0,0,0|1,0,0]=3 4076 B9R0.10 CN(CC(=O)[O-])C(C)(C)C 269982a_100011215553_100020667443 [0,2,0,0,0,0|1,0,1]=4 4077 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,2,0,0,0,0|1,0,0]=3 4082 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,2,0,0,0,0|1,0,0]=3 4087 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [0,2,0,0,0,0|2,0,0]=4 4088 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [0,2,0,0,0,0|2,0,0]=4 4089 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [0,2,0,0,0,0|2,0,0]=4 4090 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [0,2,0,0,0,0|2,0,0]=4 4091 B9R0.11 CC(C)NC(F)(F)C(=O)[O-] 34a_100138425928_100020612412 [0,2,0,0,0,0|1,0,1]=4 4092 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100000212225_100000702505 [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100011626353_100000210206 [0,2,0,0,0,0|2,0,0]=4 4094 B9R0.11 CC(C)OC(C)(C)C(=O)N 7a_100011626353_100000210206 [0,2,0,0,0,0|2,0,0]=4 4095 B9R0.11 CC(C)OC(F)(F)C(=O)[O-] 34a_100000212225_100020612412 [0,2,0,0,0,0|1,0,1]=4 4096 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000210206_100000702505 [0,2,0,0,0,0|2,0,0]=4 4097 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000702505_100000210206 [0,2,0,0,0,0|2,0,0]=4 4098 B9R0.11 CC(C)SC(F)(F)C(=O)N 62a_100000210206_100009811971 [0,2,0,0,0,0|2,0,0]=4 4099 B9R0.11 CC(C)SC(F)(F)C(=O)N 62a_100009811971_100000210206 [0,2,0,0,0,0|2,0,0]=4 4100 B9R0.11 CC(C)SC(F)(F)C(=O)[O-] 62a_100000210206_100000745680 [0,2,0,0,0,0|1,0,1]=4 4101 B9R0.11 CC(C)SC(F)(F)C(=O)[O-] 62a_100000745680_100000210206 [0,2,0,0,0,0|1,0,1]=4 4102 B9R0.11 CN(C)CC(C)(C)C(=O)N 269982a_100102631434_200009895572 [0,2,0,0,0,0|2,0,0]=4 4103 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,2,0,0,0,0|1,0,0]=3 4104 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,2,0,0,0,0|2,0,0]=4 4105 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,2,0,0,0,0|2,0,0]=4 4106 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,2,0,0,0,0|0,0,0]=2 4107 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,2,0,0,0,0|1,0,0]=3 4108 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,2,0,0,0,0|1,0,0]=3 4109 B9R0.39 CC(C)N(CO)CC(=O)[O-] 269956a_100016989150_100000210206 [0,2,0,0,0,0|1,0,1]=4 4110 B9R0.39 CC(C)NC(C#N)C(=O)N 2230a_100000039599_100000210206 [0,2,0,0,0,0|2,0,0]=4 4111 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,2,0,0,0,0|1,0,0]=3 4112 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 4113 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 4114 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,2,0,0,0,0|2,0,0]=4 4115 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,2,0,0,0,0|2,0,0]=4 4116 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,2,0,0,0,0|2,0,0]=4 4118 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,2,0,0,0,0|2,0,0]=4 4120 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,2,0,0,0,0|2,0,0]=4 4121 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,2,0,0,0,0|2,0,0]=4 4122 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,2,0,0,0,0|2,0,0]=4 4123 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,2,0,0,0,0|2,0,0]=4 4124 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,2,0,0,0,0|2,0,0]=4 4125 B9R0.39 CCN(CC(=O)N)C(C)C 2230a_100000223864_100000747473 [0,2,0,0,0,0|2,0,0]=4 4126 B9R0.39 CCN(CC(=O)N)C(C)C 269982a_100000223864_100000187820 [0,2,0,0,0,0|2,0,0]=4 4127 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,2,0,0,0,0|1,0,0]=3 4128 B9R0.39 CCN(CC(=O)[O-])C(C)C 269982a_100000223864_100020667443 [0,2,0,0,0,0|1,0,1]=4 4129 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 4130 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,2,0,0,0,0|1,0,0]=3 4134 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,2,0,0,0,0|0,0,0]=2 4135 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,2,0,0,0,0|1,0,0]=3 4136 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,2,0,0,0,0|1,0,0]=3 4137 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,2,0,0,0,0|2,0,0]=4 4138 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,2,0,0,0,0|2,0,0]=4 4140 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,2,0,0,0,0|2,0,0]=4 4148 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,2,0,0,0,0|2,0,0]=4 4149 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,2,0,0,0,0|2,0,0]=4 4150 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,2,0,0,0,0|2,0,0]=4 4151 B9R0.57 CC(C)(C)NC(F)C(=O)N 2230a_100000715429_100009813875 [0,2,0,0,0,0|2,0,0]=4 4152 B9R0.57 CC(C)(C)OC(F)C(=O)N 34a_100015890283_100009813875 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.57 CC(C)(C)OC(F)C(=O)N 7a_100015890283_100009813875 [0,2,0,0,0,0|2,0,0]=4 4154 B9R0.57 CC(C)(C)OC(F)C(=O)[O-] 34a_100015890283_100020610796 [0,2,0,0,0,0|1,0,1]=4 4155 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100000211941_100009813875 [0,2,0,0,0,0|2,0,0]=4 4156 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100009813875_100000211941 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100000211941_100020610796 [0,2,0,0,0,0|1,0,1]=4 4158 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000211941 [0,2,0,0,0,0|1,0,1]=4 4159 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,2,0,0,0,0|2,0,0]=4 4162 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,2,0,0,0,0|2,0,0]=4 4164 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,2,0,0,0,0|2,0,0]=4 4165 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,2,0,0,0,0|2,0,0]=4 4166 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,2,0,0,0,0|1,0,0]=3 4167 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,2,0,0,0,0|1,0,1]=4 4168 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,2,0,0,0,0|1,0,1]=4 4169 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,2,0,0,0,0|2,0,0]=4 4170 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 4171 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 4172 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 4173 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,2,0,0,0,0|2,0,0]=4 4174 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,2,0,0,0,0|1,0,1]=4 4175 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,2,0,0,0,0|1,0,1]=4 4176 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,2,0,0,0,0|0,0,2]=4 4177 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,2,0,0,0,0|2,0,0]=4 4178 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.79 CC(C)N(C)C(F)C(=O)N 269982a_200000211004_100009813875 [0,2,0,0,0,0|2,0,0]=4 4180 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,1,0,0|1,0,1]=4 4181 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,1,0,0|1,0,1]=4 4182 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 4183 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4184 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4185 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4186 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4187 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4188 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4189 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,1,0,0|1,0,1]=4 4190 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,1,0,0|1,0,1]=4 4191 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 4192 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 4193 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 4194 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 4195 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 4196 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 4197 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 4198 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 4199 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 4200 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 4201 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 4202 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 4203 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 4204 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 4205 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 4206 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 4207 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 4208 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [1,0,0,1,0,0|2,0,0]=4 4209 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [1,0,0,1,0,0|2,0,0]=4 4210 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [1,0,0,1,0,0|2,0,0]=4 4211 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|2,0,0]=4 4212 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|2,0,0]=4 4213 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|2,0,0]=4 4214 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|2,0,0]=4 4215 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 4216 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|2,0,0]=4 4217 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 4218 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|2,0,0]=4 4219 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|2,0,0]=4 4220 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|1,0,0]=3 4221 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|1,0,0]=3 4222 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [1,0,0,1,0,0|1,0,1]=4 4223 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [1,0,0,1,0,0|1,0,1]=4 4224 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [1,0,0,1,0,0|1,0,1]=4 4225 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|2,0,0]=4 4226 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 4227 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 4228 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|2,0,0]=4 4229 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|2,0,0]=4 4230 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [1,0,0,1,0,0|1,0,1]=4 4231 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [1,0,0,1,0,0|1,0,1]=4 4232 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,1,0,0|2,0,0]=4 4233 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [1,0,0,1,0,0|1,0,1]=4 4234 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [1,0,0,1,0,0|1,0,1]=4 4235 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,1,0,0|2,0,0]=4 4236 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 4237 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 4238 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 4239 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 4240 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,0]=3 4241 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,0]=3 4242 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 4243 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 4244 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 4245 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 4246 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 4247 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 4248 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,0]=3 4249 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 4250 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 4251 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 4252 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 4253 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|2,0,0]=4 4254 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|2,0,0]=4 4255 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|2,0,0]=4 4256 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 4257 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 4258 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 4259 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [1,0,0,1,0,0|1,0,1]=4 4260 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [1,0,0,1,0,0|1,0,1]=4 4261 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [1,0,0,1,0,0|1,0,1]=4 4262 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 4263 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,1|2,0,0]=4 4264 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,1|2,0,0]=4 4265 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,1|2,0,0]=4 4266 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,1|2,0,0]=4 4267 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 4268 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 4269 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 4270 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,1|2,0,0]=4 4271 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,1|1,0,0]=3 4272 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,1|1,0,0]=3 4273 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,1|1,0,0]=3 4274 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,1|1,0,1]=4 4275 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [0,0,0,1,0,1|1,0,1]=4 4276 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [0,0,0,1,0,1|1,0,1]=4 4277 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,0,0,1,0,1|2,0,0]=4 4278 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,1|2,0,0]=4 4279 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,1|2,0,0]=4 4280 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,1|2,0,0]=4 4281 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,1|2,0,0]=4 4282 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,1|2,0,0]=4 4283 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,1|1,0,1]=4 4284 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,1|2,0,0]=4 4285 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,1|2,0,0]=4 4286 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,1|2,0,0]=4 4287 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,0,0,1,0,1|2,0,0]=4 4288 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,0,0,1,0,1|2,0,0]=4 4289 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,0,0,1,0,1|2,0,0]=4 4290 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,0,0,1,0,1|1,0,1]=4 4291 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,1|2,0,0]=4 4292 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,1|2,0,0]=4 4293 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,1|2,0,0]=4 4294 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,1|2,0,0]=4 4295 B9R1.53 C=C(C)CN1CC(C1)C 2230a_100000702820_100000748629 [0,0,0,1,0,1|2,0,0]=4 4296 B9R1.53 C=C(C)CN1CC(C1)C 269982a_100000702820_100000748629 [0,0,0,1,0,1|2,0,0]=4 4297 B9R1.53 C=C(C)CN1CC(C1)C 34a_100000702820_100000748629 [0,0,0,1,0,1|2,0,0]=4 4298 B9R1.53 C=C(F)CN1CC(C1)C 2230a_100000702820_100009893438 [0,0,0,1,0,1|2,0,0]=4 4299 B9R1.53 C=C(F)CN1CC(C1)C 269982a_100000702820_100009893438 [0,0,0,1,0,1|2,0,0]=4 4300 B9R1.53 C=C(F)CN1CC(C1)C 34a_100000702820_100009893438 [0,0,0,1,0,1|2,0,0]=4 4301 B9R1.53 C=C1CC(C1)NC(C)C 2230a_100132301982_100000210206 [0,0,0,1,0,1|2,0,0]=4 4302 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 4303 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 4304 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 4305 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,0,0,1,0,1|2,0,0]=4 4306 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,0,0,1,0,1|2,0,0]=4 4307 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 4308 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 4309 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 4310 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,0,0,1,0,1|2,0,0]=4 4311 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,0,0,1,0,1|2,0,0]=4 4312 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,0,0,1,0,1|2,0,0]=4 4313 B9R1.53 CC(C)CN1CC(C1)O 269982a_100000749847_100000210624 [0,0,0,1,0,1|1,0,1]=4 4314 B9R1.53 CC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210206 [0,0,0,1,0,1|1,0,1]=4 4315 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,0,0,1,0,1|1,0,0]=3 4316 B9R1.53 CC(O)CN1CC(C1)C 2230a_100000702820_100011218427 [0,0,0,1,0,1|1,0,1]=4 4317 B9R1.53 CC(O)CN1CC(C1)C 269982a_100000702820_100011218427 [0,0,0,1,0,1|1,0,1]=4 4318 B9R1.53 CC(O)CN1CC(C1)C 34a_100000702820_100011218427 [0,0,0,1,0,1|1,0,1]=4 4319 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,0,0,1,0,1|1,0,0]=3 4320 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,0,0,1,0,1|1,0,0]=3 4321 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,0,0,1,0,1|1,0,0]=3 4322 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,0,0,1,0,1|0,0,1]=3 4323 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,0,0,1,0,1|0,0,1]=3 4324 B9R1.53 CC1CN(C1)C[C@@H](C)O 2230a_100000702820_100009817552 [0,0,0,1,0,1|1,0,1]=4 4325 B9R1.53 CC1CN(C1)C[C@@H](C)O 269982a_100000702820_100009817552 [0,0,0,1,0,1|1,0,1]=4 4326 B9R1.53 CC1CN(C1)C[C@@H](C)O 34a_100000702820_100009817552 [0,0,0,1,0,1|1,0,1]=4 4327 B9R1.53 CC1CN(C1)C[N+](=O)[O-] 269982a_100000702820_100000761209 [0,0,0,1,0,1|1,0,1]=4 4328 B9R1.53 CC1CN(C1)C[N+](=O)[O-] 34a_100000702820_100000761209 [0,0,0,1,0,1|1,0,1]=4 4329 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,0,0,1,0,1|2,0,0]=4 4330 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,0,0,1,0,1|2,0,0]=4 4331 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,0,0,1,0,1|1,0,0]=3 4332 B9R1.53 NC(=O)CN1CC(C1)F 2230a_100000690557_100000747473 [0,0,0,1,0,1|2,0,0]=4 4333 B9R1.53 NC(=O)CN1CC(C1)F 269982a_100000690557_100000187820 [0,0,0,1,0,1|2,0,0]=4 4334 B9R1.53 NC(=O)CN1CC(C1)F 34a_100000690557_100000187820 [0,0,0,1,0,1|2,0,0]=4 4335 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [0,0,0,1,0,1|2,0,0]=4 4336 B9R1.53 O=C([O-])CN1CC(C1)F 269982a_100000690557_100020667443 [0,0,0,1,0,1|1,0,1]=4 4337 B9R1.53 O=C([O-])CN1CC(C1)F 34a_100000690557_100020667443 [0,0,0,1,0,1|1,0,1]=4 4338 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [0,0,0,1,0,1|1,0,1]=4 4339 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,0,0,1,0,1|1,0,0]=3 4340 B9R1.85 C=C(Br)CCOC1CC1 34a_100009813270_100000211595 [0,0,0,1,0,1|2,0,0]=4 4341 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,0,1,0,1|2,0,0]=4 4342 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,0,0,1,0,1|2,0,0]=4 4343 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,0,0,1,0,1|2,0,0]=4 4344 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,1|2,0,0]=4 4345 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,1|2,0,0]=4 4346 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,1|2,0,0]=4 4347 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,1|2,0,0]=4 4348 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,1|2,0,0]=4 4349 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,1|2,0,0]=4 4350 B9R1.85 C=C(F)CNCC1CC1 2230a_100000735609_100009893438 [0,0,0,1,0,1|2,0,0]=4 4351 B9R1.85 C=C(F)CNCC1CC1 34a_100000735609_100009893438 [0,0,0,1,0,1|2,0,0]=4 4352 B9R1.85 C=C(F)COCC1CC1 34a_100000211283_100009893438 [0,0,0,1,0,1|2,0,0]=4 4353 B9R1.85 C=C(F)COCC1CC1 34a_200010262243_100000742324 [0,0,0,1,0,1|2,0,0]=4 4354 B9R1.85 C=C(F)CSCC1CC1 62a_100000042424_100000742324 [0,0,0,1,0,1|2,0,0]=4 4355 B9R1.85 C=C(F)CSCC1CC1 62a_100000756562_100000042424 [0,0,0,1,0,1|2,0,0]=4 4356 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,0,0,1,0,1|1,0,1]=4 4357 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,1|2,0,0]=4 4358 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,1|1,0,0]=3 4359 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,1|1,0,0]=3 4360 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,1|1,0,0]=3 4361 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,1|2,0,0]=4 4362 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,1|1,0,0]=3 4363 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,1|1,0,0]=3 4364 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,1|1,0,0]=3 4365 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,1|1,0,0]=3 4366 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,1|2,0,0]=4 4367 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,1|2,0,0]=4 4368 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,1|2,0,0]=4 4369 B9R1.85 CC(C)CNCC1CO1 2230a_100000210953_100011216344 [0,0,0,1,0,1|1,0,1]=4 4370 B9R1.85 CC(C)CNCC1CO1 34a_100000210953_102125554688 [0,0,0,1,0,1|1,0,1]=4 4371 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [0,0,0,1,0,1|1,0,1]=4 4372 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [0,0,0,1,0,1|1,0,1]=4 4373 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,0,0,1,0,1|1,0,1]=4 4374 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,0,0,1,0,1|1,0,1]=4 4375 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,0,0,1,0,1|1,0,1]=4 4376 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,0,0,1,0,1|1,0,1]=4 4377 B9R1.85 CC(C)NCCC1CO1 2230a_100138425928_100000732470 [0,0,0,1,0,1|1,0,1]=4 4378 B9R1.85 CC(C)NCCC1CO1 34a_100138425928_100000732470 [0,0,0,1,0,1|1,0,1]=4 4379 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [0,0,0,1,0,1|1,0,1]=4 4380 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [0,0,0,1,0,1|1,0,1]=4 4381 B9R1.85 CC(C)SCCC1CO1 62a_100000210206_100000732470 [0,0,0,1,0,1|1,0,1]=4 4382 B9R1.85 CC(C)SCCC1CO1 62a_100000732470_100000210206 [0,0,0,1,0,1|1,0,1]=4 4383 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,0,0,1,0,1|1,0,1]=4 4384 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,0,0,1,0,1|1,0,1]=4 4385 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,0,0,1,0,1|1,0,1]=4 4386 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,0,0,1,0,1|1,0,1]=4 4387 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,0,0,1,0,1|1,0,1]=4 4388 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,0,0,1,0,1|1,0,1]=4 4389 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,0,0,1,0,1|1,0,1]=4 4390 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,0,0,1,0,1|1,0,1]=4 4391 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,0,0,1,0,1|1,0,1]=4 4392 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,0,0,1,0,1|1,0,1]=4 4393 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,0,0,1,0,1|1,0,1]=4 4394 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,0,0,1,0,1|1,0,1]=4 4395 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,0,0,1,0,1|1,0,1]=4 4396 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,0,0,1,0,1|1,0,1]=4 4397 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,0,0,1,0,1|1,0,1]=4 4398 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,0,1,0,1|1,0,0]=3 4399 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,0,1,0,1|1,0,0]=3 4400 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,0,1,0,1|1,0,0]=3 4401 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,1|1,0,0]=3 4402 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,1|1,0,0]=3 4403 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,1|1,0,0]=3 4404 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,0,0,1,0,1|2,0,0]=4 4405 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,1|1,0,0]=3 4406 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,0,0,1,0,1|2,0,0]=4 4407 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,1|1,0,0]=3 4408 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,1|1,0,0]=3 4409 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [0,0,0,1,0,1|2,0,0]=4 4410 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [0,0,0,1,0,1|2,0,0]=4 4411 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,0,0,1,0,1|2,0,0]=4 4412 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,0,0,1,0,1|2,0,0]=4 4413 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [0,0,0,1,0,1|2,0,0]=4 4414 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [0,0,0,1,0,1|2,0,0]=4 4415 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,1|0,0,0]=2 4416 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,0,1,0,1|1,0,0]=3 4417 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,1|1,0,0]=3 4418 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,0,1,0,1|1,0,0]=3 4419 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,1|1,0,0]=3 4420 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,1|0,0,1]=3 4421 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,1|0,0,1]=3 4422 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,0,0,1,0,1|1,0,1]=4 4423 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,1|0,0,1]=3 4424 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,1|0,0,1]=3 4425 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [0,0,0,1,0,1|1,0,1]=4 4426 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [0,0,0,1,0,1|1,0,1]=4 4427 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,0,0,1,0,1|1,0,1]=4 4428 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,0,0,1,0,1|1,0,1]=4 4429 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [0,0,0,1,0,1|1,0,1]=4 4430 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [0,0,0,1,0,1|1,0,1]=4 4431 B9R1.85 O=[N+]([O-])CNCC1CC1 34a_100000735609_100000761209 [0,0,0,1,0,1|1,0,1]=4 4432 B9R1.85 O=[N+]([O-])COCC1CC1 34a_100000211283_100000761209 [0,0,0,1,0,1|1,0,1]=4 4433 B9R1.85 O=[N+]([O-])CSCC1CC1 62a_100000756562_100000761209 [0,0,0,1,0,1|1,0,1]=4 4434 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,1|1,0,0]=3 4435 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,1,0,1,0,0|2,0,0]=4 4436 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,1,0,1,0,0|1,0,1]=4 4437 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,1,0,1,0,0|1,0,1]=4 4438 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 4439 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 4440 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,1,0,1,0,0|1,0,1]=4 4441 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 4442 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 4443 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,1,0,0|1,0,0]=3 4444 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,1,0,1,0,0|1,0,1]=4 4445 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,1,0,1,0,0|1,0,1]=4 4446 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,1,0,1,0,0|1,0,1]=4 4447 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,1,0,0|2,0,0]=4 4448 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 4449 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 4450 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 4451 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 4452 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,1,0,0|1,0,0]=3 4453 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,1,0,0|2,0,0]=4 4454 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,1,0,0|2,0,0]=4 4455 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|2,0,0]=4 4456 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,1,0,0|2,0,0]=4 4457 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,1,0,0|2,0,0]=4 4458 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,1,0,1,0,0|2,0,0]=4 4459 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,1,0,1,0,0|2,0,0]=4 4460 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,1,0,1,0,0|1,0,1]=4 4461 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,1,0,1,0,0|1,0,1]=4 4462 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 4463 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 4464 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 4465 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 527a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 4466 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,1,0,1,0,0|1,0,0]=3 4467 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,1,0,1,0,0|2,0,0]=4 4468 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,1,0,1,0,0|1,0,0]=3 4469 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,1,0,1,0,0|2,0,0]=4 4470 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,1,0,1,0,0|2,0,0]=4 4471 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,1,0,1,0,0|2,0,0]=4 4472 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|1,0,0]=3 4473 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|1,0,0]=3 4474 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|2,0,0]=4 4475 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,1,0,1,0,0|2,0,0]=4 4476 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|2,0,0]=4 4477 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 4478 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 4479 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 4480 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 4481 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,1,0,1,0,0|1,0,0]=3 4482 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 4483 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 4484 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 4485 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,1,0,1,0,0|2,0,0]=4 4486 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,1,0,1,0,0|2,0,0]=4 4487 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,1,0,1,0,0|2,0,0]=4 4488 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,1,0,1,0,0|2,0,0]=4 4489 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,1,0,1,0,0|2,0,0]=4 4490 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,1,0,1,0,0|2,0,0]=4 4491 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,1,0,1,0,0|2,0,0]=4 4492 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,1,0,1,0,0|2,0,0]=4 4493 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,1,0,1,0,0|2,0,0]=4 4494 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|1,0,0]=3 4495 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|1,0,0]=3 4496 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,1,0,1,0,0|1,0,0]=3 4497 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|0,0,0]=2 4498 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|1,0,0]=3 4499 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 4500 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 4501 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [0,1,0,1,0,0|2,0,0]=4 4502 B9R1.82 C=CC(=O)N1CC(C1)C 240690a_100000702820_200121576911 [0,1,0,1,0,0|2,0,0]=4 4503 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,1,0,0|1,0,0]=3 4504 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,1,0,0|1,0,0]=3 4505 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,1,0,0|1,0,0]=3 4506 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|1,0,0]=3 4507 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,1,0,0|2,0,0]=4 4508 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,1,0,0|2,0,0]=4 4509 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4510 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4511 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4512 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|2,0,0]=4 4513 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [0,1,0,1,0,0|2,0,0]=4 4514 B9R1.82 CN1CC(C1)C(=O)CF 1458a_100012002723_100015361967 [0,1,0,1,0,0|2,0,0]=4 4515 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|1,0,0]=3 4516 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4517 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4518 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4519 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,1,0,1,0,0|2,0,0]=4 4520 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4521 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4522 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4523 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,1,0,1,0,0|2,0,0]=4 4524 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,1,0,1,0,0|2,0,0]=4 4525 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,1,0,1,0,0|2,0,0]=4 4526 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 4527 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 4528 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 4529 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 4530 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|1,0,0]=3 4531 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|1,0,0]=3 4532 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [0,1,0,1,0,0|2,0,0]=4 4533 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,1,0,0|2,0,0]=4 4534 B9R1.82 O=C(CO)N1CC(C1)F 240690a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 4535 B9R1.82 O=C(CO)N1CC(C1)F 527a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 4536 B9R1.82 O=C(CO)N1CC(C1)O 240690a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 4537 B9R1.82 O=C(CO)N1CC(C1)O 527a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 4538 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,1,0,1,0,0|2,0,0]=4 4539 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,1,0,1,0,0|2,0,0]=4 4540 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,1,0,1,0,0|2,0,0]=4 4541 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,1,0,1,0,0|2,0,0]=4 4542 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,1,0,1,0,0|2,0,0]=4 4543 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,1,0,1,0,0|2,0,0]=4 4544 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,1,0,1,0,0|2,0,0]=4 4545 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,1,0,1,0,0|2,0,0]=4 4546 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,1,0,1,0,0|2,0,0]=4 4547 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,1,0,1,0,0|2,0,0]=4 4548 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,1,0,1,0,0|2,0,0]=4 4549 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,1,0,1,0,0|2,0,0]=4 4550 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,1,0,1,0,0|2,0,0]=4 4551 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,1,0,1,0,0|2,0,0]=4 4552 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,1,0,1,0,0|2,0,0]=4 4553 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,1,0,1,0,0|2,0,0]=4 4554 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,1,0,1,0,0|2,0,0]=4 4555 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,1,0,1,0,0|2,0,0]=4 4556 B9R1.84 NC(=O)CNC1COC1 2230a_100016991112_100000747473 [0,1,0,1,0,0|2,0,0]=4 4557 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,1,0,1,0,0|2,0,0]=4 4558 B9R1.84 NC(=O)COC1CSC1 7a_100000072292_100000187820 [0,1,0,1,0,0|2,0,0]=4 4559 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,1,0,1,0,0|2,0,0]=4 4560 B9R1.84 NC(=O)CSC1COC1 62a_100000747473_100009818527 [0,1,0,1,0,0|2,0,0]=4 4561 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,1,0,1,0,0|1,0,0]=3 4562 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,1,0,1,0,0|1,0,0]=3 4563 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,1,0,1,0,0|1,0,1]=4 4564 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,1,0,1,0,0|1,0,1]=4 4565 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,1,0,1,0,0|1,0,1]=4 4566 B9R1.84 O=C([O-])CSC1COC1 62a_100020667443_100009818527 [0,1,0,1,0,0|1,0,1]=4 4567 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,0]=3 4568 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 4569 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 4570 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,1,0,1,0,0|2,0,0]=4 4571 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,1,0,1,0,0|2,0,0]=4 4572 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,1,0,1,0,0|2,0,0]=4 4573 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,1,0,1,0,0|2,0,0]=4 4574 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4575 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4576 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4577 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,1,0,1,0,0|2,0,0]=4 4578 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,1,0,1,0,0|2,0,0]=4 4579 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,1,0,1,0,0|2,0,0]=4 4580 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|0,0,0]=2 4581 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,1,0,0|1,0,0]=3 4582 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,1,0,0|1,0,0]=3 4583 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4584 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4585 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4586 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,1,0,1,0,0|2,0,0]=4 4587 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4588 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4589 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4590 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,1,0,1,0,0|2,0,0]=4 4591 B9R1.95 NC(=O)C1CN(C1)CF 34a_100025753142_100015361967 [0,1,0,1,0,0|2,0,0]=4 4592 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,0]=3 4593 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|0,0,0]=2 4594 B9R1.133 CNC1CCS(=O)(=O)C1 2230a_100000683523_200000210301 [0,1,0,1,0,0|1,0,1]=4 4595 B9R1.133 CNC1CCS(=O)(=O)C1 34a_100000683523_200000210301 [0,1,0,1,0,0|1,0,1]=4 4596 B9R1.133 COC1CCS(=O)(=O)C1 34a_100000186101_200000210301 [0,1,0,1,0,0|1,0,1]=4 4597 B9R1.133 COC1CCS(=O)(=O)C1 7a_100000186101_200000210301 [0,1,0,1,0,0|1,0,1]=4 4598 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 2230a_100000683523_200025704644 [0,1,0,1,0,0|1,0,1]=4 4599 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 34a_100000683523_200025704644 [0,1,0,1,0,0|1,0,1]=4 4600 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 34a_100000186101_200025704644 [0,1,0,1,0,0|1,0,1]=4 4601 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 7a_100000186101_200025704644 [0,1,0,1,0,0|1,0,1]=4 4602 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,1,0,1,0,0|2,0,0]=4 4603 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,1,0,1,0,0|2,0,0]=4 4604 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,1,0,1,0,0|2,0,0]=4 4605 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,1,0,1,0,0|2,0,0]=4 4606 B9R1.147 CC(=O)NCC1(CC1)O 11a_100011936951_100015343762 [0,1,0,1,0,0|2,0,0]=4 4607 B9R1.147 CC(=O)NCC1(CC1)O 240690a_100011936951_100015343762 [0,1,0,1,0,0|2,0,0]=4 4608 B9R1.147 CC(=O)NCC1(CC1)O 527a_100011936951_100103153847 [0,1,0,1,0,0|2,0,0]=4 4609 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,1,0,1,0,0|2,0,0]=4 4610 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,1,0,1,0,0|2,0,0]=4 4611 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,1,0,1,0,0|1,0,0]=3 4612 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|1,0,0]=3 4613 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|1,0,0]=3 4614 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 4615 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 4616 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 4617 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,1,0,1,0,0|2,0,0]=4 4618 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,1,0,1,0,0|2,0,0]=4 4619 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4620 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4621 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4622 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,1,0,1,0,0|2,0,0]=4 4623 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,1,0,1,0,0|2,0,0]=4 4624 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,1,0,1,0,0|2,0,0]=4 4625 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,1,0,1,0,0|2,0,0]=4 4626 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,1,0,1,0,0|2,0,0]=4 4627 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|1,0,0]=3 4628 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,1,0,1,0,0|2,0,0]=4 4629 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,1,0,1,0,0|2,0,0]=4 4630 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,1,0,1,0,0|1,0,1]=4 4631 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,1,0,1,0,0|1,0,1]=4 4632 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|1,0,1]=4 4633 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,1,0,1,0,0|2,0,0]=4 4634 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,1,0,1,0,0|2,0,0]=4 4635 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,1,0,1,0,0|2,0,0]=4 4636 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,1,0,1,0,0|2,0,0]=4 4637 B9R1.137 CN(CC(=O)N)C1CC1 2230a_100000226674_100000747473 [0,1,0,1,0,0|2,0,0]=4 4638 B9R1.137 CN(CC(=O)N)C1CC1 269982a_100000226674_100000187820 [0,1,0,1,0,0|2,0,0]=4 4639 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|1,0,0]=3 4640 B9R1.137 CN(CC(=O)[O-])C1CC1 269982a_100000226674_100020667443 [0,1,0,1,0,0|1,0,1]=4 4641 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,1,0,1,0,0|1,0,1]=4 4642 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,1,0,1,0,0|0,0,2]=4 4643 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,1,0,1,0,0|1,0,0]=3 4644 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000030993_200000210301 [0,1,0,1,0,0|2,0,0]=4 4645 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000070787_100010741680 [0,1,0,1,0,0|2,0,0]=4 4646 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4647 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4648 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4649 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,1,0,1,0,0|2,0,0]=4 4650 B9R1.164 CC(=O)N1CC(C1)(C)F 11a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4651 B9R1.164 CC(=O)N1CC(C1)(C)F 1626a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.164 CC(=O)N1CC(C1)(C)F 240690a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.164 CC(=O)N1CC(C1)(C)F 527a_100000696199_100103153847 [0,1,0,1,0,0|2,0,0]=4 4654 B9R1.164 CC(=O)N1CC(C1)(C)O 11a_100000718560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4655 B9R1.164 CC(=O)N1CC(C1)(C)O 240690a_100000718560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4656 B9R1.164 CC(=O)N1CC(C1)(C)O 527a_100000718560_100103153847 [0,1,0,1,0,0|2,0,0]=4 4657 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,1,0,1,0,0|1,0,0]=3 4658 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,1,0,1,0,0|1,0,0]=3 4659 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,1,0,1,0,0|1,0,0]=3 4660 B9R1.164 [13CH3]C(=O)C1CC(C1)(F)F 1458a_100000030993_200025704644 [0,1,0,1,0,0|2,0,0]=4 4661 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,2,0,0|1,0,0]=3 4662 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,2,0,0|1,0,0]=3 4663 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,2,0|1,0,0]=3 4664 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,2,0|1,0,0]=3 4665 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,2,0|2,0,0]=4 4666 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 4667 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 4668 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 4669 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,2,0|2,0,0]=4 4670 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,2,0|2,0,0]=4 4671 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,2,0|2,0,0]=4 4672 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,2,0|1,0,0]=3 4673 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,2,0|2,0,0]=4 4674 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,2,0|2,0,0]=4 4675 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,2,0|2,0,0]=4 4676 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,0,0,0,0,2|2,0,0]=4 4677 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,0,2|0,0,2]=4 4678 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,0,0,0,0,2|2,0,0]=4 4679 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,0,0,0,0,2|2,0,0]=4 4680 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,0,0,0,0,2|2,0,0]=4 4681 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,0,0,0,0,2|2,0,0]=4 4682 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,0,0,0,0,2|2,0,0]=4 4683 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,0,0,0,0,2|2,0,0]=4 4684 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,0,0,0,2|0,0,2]=4 4685 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,0,0,0,0,2|2,0,0]=4 4686 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,0,0,0,0,2|2,0,0]=4 4687 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,0,0,0,0,2|2,0,0]=4 4688 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,0,0,0,0,2|2,0,0]=4 4689 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,0,0,0,0,2|2,0,0]=4 4690 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,0,0,0,0,2|2,0,0]=4 4691 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,0,0,0,0,2|2,0,0]=4 4692 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,0,0,0,0,2|2,0,0]=4 4693 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,0,0,0,0,2|2,0,0]=4 4694 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,0,0,0,0,2|2,0,0]=4 4695 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,0,0,0,0,2|2,0,0]=4 4696 B9R0.55 C=C(F)COCOC(C)C 34a_200010262243_100000709892 [0,0,0,0,0,2|2,0,0]=4 4697 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,0,0,0,0,2|2,0,0]=4 4698 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,0,0,0,0,2|2,0,0]=4 4699 B9R0.55 C=C(F)CSCOC(C)C 62a_100000042424_100000709892 [0,0,0,0,0,2|2,0,0]=4 4700 B9R0.55 C=C(F)CSCOC(C)C 62a_100000709892_100000042424 [0,0,0,0,0,2|2,0,0]=4 4701 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,0,0,0,0,2|2,0,0]=4 4702 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,0,0,0,0,2|2,0,0]=4 4703 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,0,0,0,0,2|2,0,0]=4 4704 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,0,0,0,0,2|2,0,0]=4 4705 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,0,0,0,0,2|2,0,0]=4 4706 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,2|1,0,1]=4 4707 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,2|1,0,1]=4 4708 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,2|0,0,1]=3 4709 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,2|0,0,2]=4 4710 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,0,0,0,0,2|2,0,0]=4 4711 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,0,0,0,0,2|2,0,0]=4 4712 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,0,0,0,0,2|2,0,0]=4 4713 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,0,0,0,0,2|2,0,0]=4 4714 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,2|1,0,1]=4 4715 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,2|0,0,2]=4 4716 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,0,0,0,0,2|2,0,0]=4 4717 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,0,0,0,0,2|2,0,0]=4 4718 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,0,0,0,0,2|1,0,1]=4 4719 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,0,0,0,0,2|1,0,1]=4 4720 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,0,0,0,2|0,0,2]=4 4721 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,0,0,0,2|0,0,2]=4 4722 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,0,0,0,2|2,0,0]=4 4723 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,0,0,0,2|2,0,0]=4 4724 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,0,2|1,0,0]=3 4725 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,0,2|1,0,0]=3 4726 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,0,0,0,2|2,0,0]=4 4727 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,0,0,0,0,2|1,0,0]=3 4728 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,0,0,0,0,2|1,0,0]=3 4729 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,0,0,0,0,2|1,0,0]=3 4730 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,0,0,0,0,2|1,0,0]=3 4731 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,0,0,0,0,2|1,0,0]=3 4732 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,0,0,0,0,2|1,0,0]=3 4733 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,2|1,0,1]=4 4734 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,0,0,0,0,2|1,0,0]=3 4735 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,0,0,0,0,2|1,0,0]=3 4736 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,0,0,0,0,2|2,0,0]=4 4737 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,0,0,0,0,2|2,0,0]=4 4738 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,0,0,0,0,2|2,0,0]=4 4739 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,0,0,0,0,2|2,0,0]=4 4740 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,0,0,0,0,2|1,0,0]=3 4741 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,0,0,0,0,2|1,0,0]=3 4742 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,0,2|2,0,0]=4 4743 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,0,2|2,0,0]=4 4744 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,0,2|2,0,0]=4 4745 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,0,2|2,0,0]=4 4746 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,2|1,0,1]=4 4747 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,0,0,0,0,2|1,0,0]=3 4748 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,0,0,0,0,2|2,0,0]=4 4749 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,0,0,0,0,2|1,0,0]=3 4750 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,0,0,0,0,2|1,0,0]=3 4751 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,0,0,0,0,2|1,0,0]=3 4752 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,0,0,0,0,2|1,0,0]=3 4753 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,0,0,0,0,2|1,0,0]=3 4754 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,0,0,0,0,2|2,0,0]=4 4755 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,0,0,0,0,2|2,0,0]=4 4756 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,0,0,0,0,2|1,0,0]=3 4757 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,0,0,0,0,2|1,0,0]=3 4758 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,0,0,0,0,2|1,0,0]=3 4759 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,0,0,0,0,2|1,0,0]=3 4760 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,0,0,0,0,2|1,0,0]=3 4761 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,0,0,0,0,2|1,0,0]=3 4762 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,0,0,0,0,2|1,0,0]=3 4763 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,0,0,0,0,2|1,0,0]=3 4764 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,0,0,0,0,2|1,0,0]=3 4765 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,0,0,0,0,2|1,0,0]=3 4766 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,0,0,0,0,2|1,0,0]=3 4767 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,0,0,0,0,2|1,0,0]=3 4768 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,0,0,0,0,2|1,0,0]=3 4769 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,0,0,0,0,2|1,0,1]=4 4770 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,0,0,0,0,2|2,0,0]=4 4771 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,0,0,0,0,2|2,0,0]=4 4772 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,0,0,0,0,2|1,0,0]=3 4773 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,0,0,0,0,2|1,0,0]=3 4774 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,0,0,0,0,2|1,0,0]=3 4775 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,0,0,0,0,2|1,0,0]=3 4776 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,2|1,0,1]=4 4777 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,0,0,0,0,2|1,0,0]=3 4778 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,0,0,0,0,2|2,0,0]=4 4779 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,0,0,0,0,2|2,0,0]=4 4780 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,0,0,0,0,2|1,0,0]=3 4781 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,0,0,0,0,2|2,0,0]=4 4782 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,0,0,0,0,2|2,0,0]=4 4783 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,0,0,0,0,2|2,0,0]=4 4784 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,0,0,0,0,2|1,0,0]=3 4785 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,0,0,0,0,2|1,0,0]=3 4786 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,0,0,0,0,2|2,0,0]=4 4787 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,0,0,0,0,2|2,0,0]=4 4788 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,0,0,0,0,2|2,0,0]=4 4789 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,0,0,0,0,2|2,0,0]=4 4790 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,0,0,0,0,2|2,0,0]=4 4791 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,0,0,0,0,2|2,0,0]=4 4792 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,0,0,0,0,2|2,0,0]=4 4793 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,0,0,0,0,2|1,0,1]=4 4794 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,0,0,0,0,2|2,0,0]=4 4795 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,0,2|1,0,0]=3 4796 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,0,0,0,0,2|1,0,0]=3 4797 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,2|0,0,0]=2 4798 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,0,0,0,0,2|1,0,1]=4 4799 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,0,0,0,0,2|1,0,1]=4 4800 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,0,0,0,0,2|1,0,1]=4 4801 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,0,0,0,0,2|1,0,0]=3 4802 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,0,0,0,0,2|1,0,0]=3 4803 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,0,0,0,0,2|0,0,1]=3 4804 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,0,0,0,0,2|1,0,1]=4 4805 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,0,0,0,0,2|1,0,1]=4 4806 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,0,0,0,0,2|1,0,1]=4 4807 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,0,0,0,0,2|1,0,1]=4 4808 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,0,0,0,0,2|1,0,1]=4 4809 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,0,0,0,0,2|1,0,0]=3 4810 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,0,0,0,0,2|1,0,0]=3 4811 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,0,0,0,0,2|0,0,1]=3 4812 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,0,0,0,0,2|0,0,1]=3 4813 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,0,0,0,0,2|1,0,1]=4 4814 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,0,0,0,0,2|1,0,1]=4 4815 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,0,0,0,0,2|1,0,1]=4 4816 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,0,0,0,0,2|1,0,1]=4 4817 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,0,0,0,0,2|1,0,1]=4 4818 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,0,0,0,0,2|1,0,0]=3 4819 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,0,0,0,0,2|1,0,0]=3 4820 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,0,0,0,0,2|1,0,1]=4 4821 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,0,0,0,0,2|1,0,1]=4 4822 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,0,0,0,0,2|1,0,1]=4 4823 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,0,0,0,0,2|1,0,1]=4 4824 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,2|0,0,0]=2 4825 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,0,0,0,0,2|1,0,0]=3 4826 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,0,0,0,0,2|1,0,0]=3 4827 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,0,0,0,0,2|1,0,0]=3 4828 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,0,0,0,0,2|1,0,1]=4 4829 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,0,0,0,0,2|1,0,0]=3 4830 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,0,0,0,0,2|1,0,0]=3 4831 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,0,0,0,0,2|1,0,1]=4 4832 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,0,0,0,0,2|1,0,1]=4 4833 B9R0.55 CC(C)NCCC=C(F)F 2230a_100138425928_200009816681 [0,0,0,0,0,2|2,0,0]=4 4834 B9R0.55 CC(C)NCCC=C(F)F 34a_100138425928_200009816681 [0,0,0,0,0,2|2,0,0]=4 4835 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,0,0,0,0,2|1,0,0]=3 4836 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,0,0,0,0,2|1,0,0]=3 4837 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,0,0,0,0,2|2,0,0]=4 4838 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,0,0,0,0,2|1,0,0]=3 4839 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,0,0,0,0,2|1,0,0]=3 4840 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,0,0,0,0,2|1,0,0]=3 4841 B9R0.55 CC(C)OCCC=C(F)F 34a_100000212225_200009816681 [0,0,0,0,0,2|2,0,0]=4 4842 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,0,0,0,0,2|1,0,0]=3 4843 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,0,0,0,0,2|1,0,1]=4 4844 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,0,0,0,0,2|1,0,0]=3 4845 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,0,0,0,0,2|1,0,0]=3 4846 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,0,0,0,0,2|1,0,0]=3 4847 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,0,0,0,0,2|1,0,0]=3 4848 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,2|0,0,0]=2 4849 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,0,0,0,0,2|1,0,0]=3 4850 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,0,0,0,0,2|1,0,0]=3 4851 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,0,0,0,0,2|0,0,1]=3 4852 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,0,0,0,0,2|0,0,1]=3 4853 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [0,0,0,0,0,2|1,0,1]=4 4854 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [0,0,0,0,0,2|1,0,1]=4 4855 B9R0.55 CC(C)OCSC[N+](=O)[O-] 62a_100000709892_100000761209 [0,0,0,0,0,2|1,0,1]=4 4856 B9R0.55 CC(C)SCCC=C(F)F 62a_100000210206_200009816681 [0,0,0,0,0,2|2,0,0]=4 4857 B9R0.55 CC(C)SCCC=C(F)F 62a_200009816681_100000210206 [0,0,0,0,0,2|2,0,0]=4 4858 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,0,0,0,0,2|1,0,0]=3 4859 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,0,0,0,0,2|1,0,0]=3 4860 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,0,0,0,0,2|1,0,0]=3 4861 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,0,0,0,0,2|1,0,0]=3 4862 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,0,0,0,0,2|1,0,0]=3 4863 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,0,0,0,0,2|1,0,0]=3 4864 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,0,0,0,0,2|2,0,0]=4 4865 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,0,0,0,0,2|1,0,1]=4 4866 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,0,0,0,0,2|1,0,1]=4 4867 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,0,0,0,0,2|1,0,1]=4 4868 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,0,0,0,0,2|1,0,1]=4 4869 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,0,0,0,0,2|1,0,1]=4 4870 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,0,0,0,0,2|2,0,0]=4 4871 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,0,0,0,0,2|2,0,0]=4 4872 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,2|1,0,0]=3 4873 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,0,0,0,0,2|2,0,0]=4 4874 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,0,0,0,0,2|2,0,0]=4 4875 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,0,0,0,0,2|1,0,1]=4 4876 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,0,0,0,0,2|1,0,1]=4 4877 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,0,0,0,0,2|2,0,0]=4 4878 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,2|2,0,0]=4 4879 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [0,0,0,0,0,2|1,0,1]=4 4880 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [0,0,0,0,0,2|1,0,1]=4 4881 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,2|1,0,0]=3 4882 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,0,0,0,0,2|2,0,0]=4 4883 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,0,0,0,0,2|2,0,0]=4 4884 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,0,0,0,0,2|2,0,0]=4 4885 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,0,0,0,0,2|2,0,0]=4 4886 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [0,0,0,0,0,2|1,0,1]=4 4887 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [0,0,0,0,0,2|1,0,1]=4 4888 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,0,2|1,0,0]=3 4889 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,0,0,0,0,2|2,0,0]=4 4890 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,0,0,0,0,2|2,0,0]=4 4891 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,0,0,0,0,2|2,0,0]=4 4892 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,0,0,0,0,2|1,0,1]=4 4893 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,0,0,0,0,2|2,0,0]=4 4894 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,0,0,0,0,2|2,0,0]=4 4895 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,0,0,0,0,2|1,0,1]=4 4896 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,0,0,0,0,2|2,0,0]=4 4897 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,2|1,0,0]=3 4898 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,0,0,0,0,2|2,0,0]=4 4899 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,0,0,0,0,2|2,0,0]=4 4900 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,0,0,0,0,2|2,0,0]=4 4901 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,0,0,0,0,2|2,0,0]=4 4902 B9R0.55 O=C(O)CONCC(F)F 269956a_100000106656_100011934356 [0,0,0,0,0,2|2,0,0]=4