0 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,0,0,0,0|0,0,4]=4 18 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,0,0,0,0,0|1,0,1]=2 22 B8R0.5 CC#CC(=O)CC(F)F 1458a_100000763181_100011934356 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [0,0,0,0,0,0|4,0,0]=4 47 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,0,0,0,0,0|4,0,0]=4 48 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,0,0,0,0,0|1,0,1]=2 57 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,0,0|2,0,2]=4 62 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,0,0|2,0,2]=4 63 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,0|1,0,2]=3 65 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,0,0|2,0,0]=2 69 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,0,0|2,0,0]=2 70 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,0,0|1,0,0]=1 71 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,0,0|1,0,0]=1 76 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,0,0|3,0,0]=3 78 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,0,0,0,0,0|3,0,0]=3 88 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,0,0,0,0,0|3,0,0]=3 89 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,0,0,0,0,0|3,0,0]=3 90 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,0,0,0,0,0|3,0,0]=3 91 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,0,0,0,0,0|3,0,0]=3 93 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,0,0|2,0,2]=4 99 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,0,0|1,0,2]=3 101 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,0,0|2,0,2]=4 102 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,0,0|2,0,2]=4 103 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,0,0|2,0,0]=2 105 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,0,0|2,0,0]=2 106 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,0,0|1,0,0]=1 116 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,0,0,0,0,0|3,0,1]=4 125 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,0,0|0,0,2]=2 127 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,0,0|0,0,2]=2 128 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,0,0|0,0,2]=2 129 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,0,0|2,0,0]=2 130 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,0,0|2,0,0]=2 131 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,0,0|2,0,0]=2 132 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,0,0|2,0,0]=2 133 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,0,0,0,0,0|2,0,1]=3 134 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,0,0,0,0,0|2,0,1]=3 135 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,0,0,0,0,0|2,0,1]=3 136 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,0,0,0,0,0|2,1,1]=4 137 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,0,0,0,0,0|2,1,1]=4 138 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,0,0,0,0,0|4,0,0]=4 139 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,0,0,0,0,0|4,0,0]=4 140 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,0,0,0,0,0|4,0,0]=4 141 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,0,0,0,0,0|4,0,0]=4 142 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,0,0,0,0,0|4,0,0]=4 143 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,0,0,0,0,0|4,0,0]=4 144 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,0,0,0,0,0|4,0,0]=4 145 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,0,0,0,0,0|4,0,0]=4 146 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,0,0,0,0,0|4,0,0]=4 147 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,0,0,0,0,0|4,0,0]=4 148 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,0,0,0,0,0|4,0,0]=4 149 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,0,0,0,0,0|3,0,0]=3 150 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,0,0,0,0,0|4,0,0]=4 151 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,0,0,0,0,0|2,0,0]=2 152 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,0,0,0,0,0|4,0,0]=4 153 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,0,0,0,0,0|4,0,0]=4 154 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,0,0,0,0,0|4,0,0]=4 155 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,0,0,0,0,0|4,0,0]=4 156 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,0,0,0,0,0|3,0,0]=3 157 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,0,0,0,0,0|2,0,0]=2 158 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,0,0,0,0,0|4,0,0]=4 159 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,0,0,0,0,0|4,0,0]=4 160 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,0,0,0,0,0|4,0,0]=4 161 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,0,0,0,0,0|4,0,0]=4 162 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,0,0,0,0,0|4,0,0]=4 163 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,0,0,0,0,0|4,0,0]=4 164 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,0,0,0,0,0|4,0,0]=4 165 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,0,0,0,0,0|4,0,0]=4 166 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,0,0,0,0,0|4,0,0]=4 167 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,0,0,0,0,0|3,0,0]=3 168 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,0,0,0,0,0|2,0,0]=2 169 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,0,0,0,0,0|4,0,0]=4 170 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,0,0,0,0,0|4,0,0]=4 171 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,0,0,0,0,0|4,0,0]=4 172 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,0,0,0,0,0|4,0,0]=4 173 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,0,0,0,0,0|4,0,0]=4 174 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,0,0,0,0,0|4,0,0]=4 175 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,0,0,0,0,0|4,0,0]=4 176 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,0,0,0,0,0|4,0,0]=4 177 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,0,0,0,0,0|4,0,0]=4 178 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,0,0,0,0,0|4,0,0]=4 179 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,0,0,0,0,0|4,0,0]=4 180 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,0,0,0,0,0|2,0,1]=3 181 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,0,0,0,0,0|2,0,0]=2 182 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,0,0,0,0,0|2,0,0]=2 183 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,0,0,0,0,0|4,0,0]=4 184 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,0,0,0,0,0|4,0,0]=4 185 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,0,0,0,0,0|4,0,0]=4 186 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,0,0,0,0,0|4,0,0]=4 187 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,0,0,0,0,0|4,0,0]=4 188 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,0,0,0,0,0|1,0,2]=4 189 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,0,0,0,0,0|0,0,2]=3 190 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,0,0,0,0|1,0,1]=3 191 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,0,0,0,0,0|1,0,2]=4 193 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,0,0,0,0|1,0,2]=4 194 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,0,0,0,0,0|0,0,2]=3 195 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,0,0,0,0,0|2,0,0]=3 196 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,0,0,0,0|2,0,0]=3 197 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,0,0,0,0,0|3,0,0]=4 200 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,0,0,0,0,0|3,0,0]=4 201 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,0,0,0,0,0|1,0,0]=2 202 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,0,0|1,0,2]=4 204 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,0,0,0,0|1,0,2]=4 205 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,0,0,0,0|1,0,2]=4 206 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,0,0|0,0,2]=3 207 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,0,0|1,0,2]=4 208 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,0,0|1,0,2]=4 209 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,0,0|1,0,2]=4 210 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,0,0,0,0|1,0,0]=2 211 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,0,0,0,0|1,0,0]=2 212 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,0,0,0,0|0,0,0]=1 213 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,0,0,0,0,0|2,0,0]=3 215 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,0,0,0,0,0|2,0,0]=3 216 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,0,0,0,0|0,0,0]=1 217 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,0,0,0,0,0|2,0,0]=3 219 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,0,0,0,0,0|2,0,0]=3 220 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,0,0,0,0,0|2,0,0]=3 221 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,0,0,0,0,0|2,0,0]=3 222 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,0,0,0,0,0|2,0,0]=3 223 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,0,0,0,0,0|3,0,0]=4 224 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,0,0,0,0,0|3,0,0]=4 226 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,0,0,0,0,0|3,0,0]=4 227 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,0,0,0,0,0|2,0,0]=3 230 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,0,0,0,0,0|2,0,0]=3 231 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,0,0,0,0,0|2,0,0]=3 232 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,0,0,0,0,0|2,0,0]=3 233 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,0,0,0,0,0|2,0,0]=3 234 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,0,0,0,0,0|2,0,0]=3 235 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,0,0,0,0,0|2,0,0]=3 236 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,0,0,0,0,0|2,0,0]=3 237 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,0,0,0,0,0|2,0,0]=3 240 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,0,0,0,0,0|2,0,0]=3 241 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,0,0,0,0,0|3,0,0]=4 242 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,0,0,0,0|1,0,2]=4 243 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,0,0,0,0,0|2,0,0]=3 244 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,0,0,0,0,0|2,0,0]=3 245 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,0,0,0,0,0|2,0,0]=3 246 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,0,0,0,0,0|3,0,0]=4 248 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,0,0,0,0,0|3,0,0]=4 250 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,0,0,0,0,0|1,0,0]=2 255 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,0,0,0,0,0|3,0,0]=4 256 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 257 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 258 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,0,0,0,0,0|3,0,0]=4 260 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,0,0,0,0,0|3,0,0]=4 262 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,0,0,0,0,0|3,0,0]=4 263 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,0,0,0,0,0|3,0,0]=4 264 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,0,0|0,0,2]=3 265 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,0,0|0,0,2]=3 266 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,0,0|0,0,2]=3 267 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,0,0,0,0,0|2,0,0]=3 268 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,0,0,0,0,0|2,0,0]=3 269 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,0,0,0,0,0|2,0,0]=3 270 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,0,0,0,0,0|2,0,0]=3 271 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,0,0,0,0,0|2,0,1]=4 273 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,0,0,0,0,0|1,0,0]=2 275 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,0,0,0,0,0|3,0,0]=4 276 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|1,0,2]=4 278 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|1,0,2]=4 279 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,0,0,0,0|2,0,1]=4 282 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 283 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 284 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,0,0,0,0,0|1,1,1]=4 285 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,0,0,0,0,0|1,1,1]=4 286 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,0,0,0,0|3,0,0]=4 288 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,0,0,0,0|3,0,0]=4 289 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|3,0,0]=4 290 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|3,0,0]=4 291 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|3,0,0]=4 293 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,0,0,0,0|3,0,0]=4 294 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,0,0,0,0|3,0,0]=4 295 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,0,0,0,0|3,0,0]=4 299 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 300 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 301 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 302 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,0,0,0,0,0|3,0,0]=4 303 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|3,0,0]=4 308 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,0]=3 309 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,0]=3 310 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|3,0,0]=4 311 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|3,0,0]=4 312 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|3,0,0]=4 313 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|3,0,0]=4 314 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|3,0,0]=4 316 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|3,0,0]=4 317 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,0]=3 318 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|3,0,0]=4 319 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|3,0,0]=4 320 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,0]=3 321 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,0]=3 322 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,0]=3 323 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,0]=3 324 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,1]=4 326 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,1]=3 327 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,1]=3 328 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|0,0,3]=4 329 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|0,0,3]=4 330 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|0,0,3]=4 331 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|0,0,3]=4 332 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|0,0,3]=4 333 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|0,0,3]=4 334 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|0,0,3]=4 335 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|1,0,1]=3 336 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|1,0,1]=3 337 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|1,0,1]=3 338 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|1,0,1]=3 339 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|0,0,1]=2 340 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,0,0,0,0,0|2,0,1]=4 341 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 342 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 343 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|1,0,1]=3 344 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|2,0,1]=4 345 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,0,0,0,0,0|2,0,1]=4 346 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,0,0,0,0,0|2,0,1]=4 347 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|1,1,1]=4 348 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|1,1,1]=4 349 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|0,1,1]=3 350 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|0,1,1]=3 351 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 352 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,0,0,0,0|3,0,0]=4 356 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,0,0,0,0,0|3,0,0]=4 357 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,0,0,0,0,0|3,0,0]=4 358 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,0,0,0,0,0|3,0,0]=4 359 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 361 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,0,0,0,0|3,0,0]=4 366 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,0,0,0,0|3,0,0]=4 367 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,0,0,0,0|3,0,0]=4 377 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,0,0,0,0|3,0,0]=4 378 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|1,0,2]=4 379 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|1,0,2]=4 380 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [1,0,0,0,0,0|1,0,2]=4 381 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [1,0,0,0,0,0|1,0,2]=4 382 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,0,0,0,0|1,0,2]=4 383 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|1,0,2]=4 384 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|1,0,2]=4 385 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,0,0,0,0,0|1,0,2]=4 386 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,0,0,0,0,0|1,0,2]=4 387 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 388 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 389 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 390 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|1,0,2]=4 391 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|1,0,2]=4 392 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|1,0,2]=4 393 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|1,0,2]=4 394 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|1,0,2]=4 395 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|1,0,2]=4 396 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|1,0,2]=4 397 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|1,0,1]=3 398 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,0,0,0,0,0|1,0,1]=3 400 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|1,0,1]=3 401 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|1,0,1]=3 403 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 404 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 405 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|2,0,1]=4 406 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|1,0,0]=2 411 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|2,0,0]=3 412 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|1,0,0]=2 413 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|1,0,0]=2 414 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 415 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 416 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|2,0,0]=3 419 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|2,0,0]=3 420 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|2,0,0]=3 421 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|2,0,0]=3 422 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 423 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 424 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 425 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,0]=3 426 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,0,0,0,0|2,0,1]=4 429 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 430 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,0,0,0,0|1,0,1]=3 431 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 432 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 433 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 434 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,0,0,0,0|1,1,1]=4 435 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,0,0,0,0|1,1,1]=4 436 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 437 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 438 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 440 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,0,0,0,0,0|3,0,0]=4 441 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,0,0,0,0,0|3,0,0]=4 443 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,0,0,0,0,0|3,0,0]=4 446 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 447 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,0,0,0,0,0|3,0,0]=4 449 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,0,0,0,0,0|3,0,0]=4 450 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|1,0,0]=2 452 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 454 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 456 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,0]=3 457 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 458 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 459 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|2,0,0]=3 466 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|2,0,0]=3 467 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|2,0,0]=3 468 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 469 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 470 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 472 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 473 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 474 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 476 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 478 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,0]=2 479 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 480 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|1,0,0]=2 481 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|1,0,0]=2 482 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|1,0,0]=2 483 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|1,0,0]=2 484 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|1,0,0]=2 485 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,0,0,0,0|1,0,1]=3 487 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,0,0,0,0,0|1,1,1]=4 490 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,0,0,0,0,0|1,1,1]=4 491 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 492 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,0,0,0,0,0|3,0,0]=4 493 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 494 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,0,0,0,0|2,0,0]=3 495 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,0,0,0,0,0|3,0,0]=4 496 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|3,0,0]=4 497 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|3,0,0]=4 498 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|2,0,0]=3 499 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,0,0,0,0,0|3,0,0]=4 500 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|3,0,0]=4 501 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|2,0,0]=3 502 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,0,0,0,0,0|3,0,0]=4 503 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,0,0,0,0,0|3,0,0]=4 504 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,0,0,0,0,0|2,0,0]=3 510 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,0,0,0,0,0|2,0,0]=3 511 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,0,0,0,0,0|3,0,0]=4 512 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,0,0,0,0,0|3,0,0]=4 513 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,1,0,0,0,0|2,0,1]=4 514 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,1,0,0,0,0|2,0,1]=4 515 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,1,0,0,0,0|1,0,1]=3 516 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,1,0,0,0,0|1,0,1]=3 517 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [0,1,0,0,0,0|2,0,1]=4 520 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.4 C#CCNC(=O)C[C@@H](C)O 240690a_100000212058_100011933948 [0,1,0,0,0,0|1,0,1]=3 522 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,1,0,0,0,0|2,0,1]=4 523 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,1,0,0,0,0|1,0,1]=3 524 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,1,0,0,0,0|2,0,1]=4 525 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,0|2,0,1]=4 526 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|2,0,1]=4 527 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|2,0,1]=4 528 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|2,0,1]=4 529 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,0|1,0,1]=3 530 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,0|1,1,1]=4 531 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,0|1,0,2]=4 532 B9R0.4 C=C(CN(C)C)OCOC 269982a_100102631434_100000042856 [0,1,0,0,0,0|3,0,0]=4 533 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,1,0,0,0,0|1,0,2]=4 534 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,1,0,0,0,0|1,0,2]=4 535 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,1,0,0,0,0|2,0,1]=4 536 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,1,0,0,0,0|2,0,1]=4 537 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,1,0,0,0,0|1,0,1]=3 538 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,1,0,0,0,0|1,0,1]=3 539 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,1,0,0,0,0|2,0,1]=4 540 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,1,0,0,0,0|2,0,1]=4 541 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,1,0,0,0,0|2,0,1]=4 542 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,1,0,0,0,0|1,0,1]=3 543 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,0|0,0,3]=4 544 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,1,0,0,0,0|2,0,1]=4 545 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,1,0,0,0,0|2,0,1]=4 546 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,1,0,0,0,0|2,0,1]=4 547 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,1,0,0,0,0|1,0,1]=3 548 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [0,1,0,0,0,0|2,0,1]=4 549 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,1,0,0,0,0|2,0,1]=4 550 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,1,0,0,0,0|2,0,1]=4 551 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|2,0,0]=3 552 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|2,0,0]=3 553 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [0,1,0,0,0,0|2,0,1]=4 554 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [0,1,0,0,0,0|2,0,1]=4 555 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 556 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 557 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 558 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 559 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,1,0,0,0,0|2,0,0]=3 560 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,1,0,0,0,0|2,0,0]=3 561 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,1,0,0,0,0|2,0,1]=4 562 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,1,0,0,0,0|2,0,1]=4 563 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,1,0,0,0,0|2,0,1]=4 564 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,1,0,0,0,0|2,0,1]=4 565 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,1,0,0,0,0|2,0,1]=4 566 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,1,0,0,0,0|2,0,1]=4 567 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,0|3,0,0]=4 569 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,1,0,0,0,0|3,0,0]=4 570 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,1,0,0,0,0|3,0,0]=4 571 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,1,0,0,0,0|3,0,0]=4 572 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,1,0,0,0,0|3,0,0]=4 573 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,1,0,0,0,0|3,0,0]=4 574 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,1,0,0,0,0|3,0,0]=4 575 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|3,0,0]=4 576 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|3,0,0]=4 577 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,0|2,0,0]=3 578 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,0|2,0,0]=3 579 B9R0.4 CC(O)CC(=O)C#CCO 1458a_100000049017_100011218427 [0,1,0,0,0,0|1,0,1]=3 580 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,1,0,0,0,0|1,0,1]=3 581 B9R0.4 CC(O)CN(C)CCCF 2230a_100000227577_100011934791 [0,1,0,0,0,0|3,0,0]=4 582 B9R0.4 CC(O)CN(C)CCCF 269982a_100000227577_100011934791 [0,1,0,0,0,0|3,0,0]=4 583 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [0,1,0,0,0,0|3,0,0]=4 584 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [0,1,0,0,0,0|3,0,0]=4 585 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [0,1,0,0,0,0|3,0,0]=4 586 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [0,1,0,0,0,0|3,0,0]=4 587 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,1,0,0,0,0|2,0,1]=4 588 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,1,0,0,0,0|2,0,1]=4 589 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,1,0,0,0,0|1,0,1]=3 590 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,1,0,0,0,0|1,0,1]=3 591 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [0,1,0,0,0,0|2,0,1]=4 592 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,1,0,0,0,0|2,0,0]=3 593 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,1,0,0,0,0|1,0,0]=2 594 B9R0.4 CCC#CC(=O)CC(F)F 1458a_100011827653_100011934356 [0,1,0,0,0,0|3,0,0]=4 595 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,1,0,0,0,0|2,0,0]=3 596 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,1,0,0,0,0|1,0,0]=2 597 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,1,0,0,0,0|3,0,0]=4 598 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,1,0,0,0,0|3,0,0]=4 599 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,1,0,0,0,0|3,0,0]=4 600 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,1,0,0,0,0|3,0,0]=4 601 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|2,0,0]=3 602 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|2,0,0]=3 603 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|1,0,0]=2 604 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|1,0,0]=2 607 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|3,0,0]=4 610 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|3,0,0]=4 611 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|3,0,0]=4 612 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,1,0,0,0,0|3,0,0]=4 613 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,1,0,0,0,0|3,0,0]=4 614 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,1,0,0,0,0|3,0,0]=4 615 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,1,0,0,0,0|3,0,0]=4 616 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,1,0,0,0,0|3,0,0]=4 617 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|1,0,2]=4 619 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,0|2,0,0]=3 620 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,0|2,0,0]=3 621 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,0|2,0,0]=3 622 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,0|2,0,0]=3 623 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,1,0,0,0,0|3,0,0]=4 624 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,1,0,0,0,0|3,0,0]=4 626 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,1,0,0,0,0|3,0,0]=4 627 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,1,0,0,0,0|3,0,0]=4 629 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,1,0,0,0,0|3,0,0]=4 630 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,0|1,0,0]=2 633 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 634 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 635 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 636 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 637 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,1,0,0,0,0|3,0,0]=4 638 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,1,0,0,0,0|3,0,0]=4 639 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,1,0,0,0,0|3,0,0]=4 640 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,1,0,0,0,0|3,0,0]=4 641 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,1,0,0,0,0|3,0,0]=4 642 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|0,0,2]=3 643 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,0|2,0,0]=3 644 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,0|2,0,0]=3 645 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,1,0,0,0,0|2,0,1]=4 646 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,1,0,0,0,0|2,0,1]=4 647 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,1,0,0,0,0|2,0,1]=4 648 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,1,0,0,0,0|3,0,0]=4 649 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,1,0,0,0,0|3,0,0]=4 650 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,0|3,0,0]=4 651 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,1,0,0,0,0|2,0,0]=3 652 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,1,0,0,0,0|3,0,0]=4 653 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,1,0,0,0,0|1,0,0]=2 654 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,1,0,0,0,0|3,0,0]=4 655 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,1,0,0,0,0|3,0,0]=4 656 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,1,0,0,0,0|3,0,0]=4 657 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,1,0,0,0,0|3,0,0]=4 658 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,0|1,0,2]=4 659 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,0|1,0,2]=4 660 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,0|1,0,0]=2 661 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,0|0,0,0]=1 662 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,1,0,0,0,0|2,0,0]=3 663 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,1,0,0,0,0|2,0,1]=4 664 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,0|2,0,0]=3 665 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,0|2,0,0]=3 666 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,0|2,0,0]=3 667 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,0|2,0,0]=3 668 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,0|2,0,0]=3 669 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|2,0,0]=3 670 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,1,0,0,0,0|3,0,0]=4 671 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [0,1,0,0,0,0|2,0,0]=3 672 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,1,0,0,0,0|2,0,1]=4 673 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,0|1,1,0]=3 674 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,0|0,1,0]=2 675 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,1,0,0,0,0|2,1,0]=4 676 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,1,0,0,0,0|2,1,0]=4 677 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,1,0,0,0,0|2,1,0]=4 678 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,1,0,0,0,0|2,1,0]=4 679 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,1,0,0,0,0|2,1,0]=4 680 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,1,0,0,0,0|2,1,0]=4 681 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,1,0,0,0,0|2,1,0]=4 682 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,0|2,1,0]=4 683 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,0|2,1,0]=4 684 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,1,0,0,0,0|3,0,0]=4 690 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,1,0,0,0,0|3,0,0]=4 691 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,0|3,0,0]=4 692 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,0|3,0,0]=4 693 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,0|3,0,0]=4 694 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,0|3,0,0]=4 695 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,1,0,0,0,0|1,0,1]=3 697 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|2,0,0]=3 698 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|2,0,0]=3 699 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|1,0,0]=2 700 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,1,0,0,0,0|3,0,0]=4 701 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,1,0,0,0,0|3,0,0]=4 702 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|1,0,0]=2 703 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,1,0,0,0,0|3,0,0]=4 704 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 705 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 706 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 707 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 708 B9R0.4 COCCN(C)CC(C)O 2230a_100000227577_100011201679 [0,1,0,0,0,0|3,0,0]=4 709 B9R0.4 COCCN(C)CC(C)O 2230a_100000743101_100011218427 [0,1,0,0,0,0|3,0,0]=4 710 B9R0.4 COCCN(C)CC(C)O 269982a_100000227577_100000233755 [0,1,0,0,0,0|3,0,0]=4 711 B9R0.4 COCCN(C)CC(C)O 269982a_100000743101_100011218427 [0,1,0,0,0,0|3,0,0]=4 712 B9R0.4 COCCN(C)C[C@@H](C)O 2230a_100000743101_100009817552 [0,1,0,0,0,0|3,0,0]=4 713 B9R0.4 COCCN(C)C[C@@H](C)O 269982a_100000743101_100009817552 [0,1,0,0,0,0|3,0,0]=4 714 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|2,0,0]=3 715 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|2,0,0]=3 716 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|1,0,0]=2 717 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,1,0,0,0,0|3,0,0]=4 718 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,1,0,0,0,0|3,0,0]=4 719 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|1,0,0]=2 720 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,1,0,0,0,0|3,0,0]=4 721 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 722 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 723 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 724 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 725 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,0|3,0,0]=4 727 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|3,0,0]=4 728 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|3,0,0]=4 729 B9R0.4 CSCCN(C)CC(C)O 2230a_100000227577_100000751147 [0,1,0,0,0,0|3,0,0]=4 730 B9R0.4 CSCCN(C)CC(C)O 2230a_100000686725_100011218427 [0,1,0,0,0,0|3,0,0]=4 731 B9R0.4 CSCCN(C)CC(C)O 269982a_100000227577_100000212216 [0,1,0,0,0,0|3,0,0]=4 732 B9R0.4 CSCCN(C)CC(C)O 269982a_100000686725_100011218427 [0,1,0,0,0,0|3,0,0]=4 733 B9R0.4 CSCCN(C)C[C@@H](C)O 2230a_100000686725_100009817552 [0,1,0,0,0,0|3,0,0]=4 734 B9R0.4 CSCCN(C)C[C@@H](C)O 269982a_100000686725_100009817552 [0,1,0,0,0,0|3,0,0]=4 735 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,0|2,0,0]=3 736 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,0|2,0,0]=3 737 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,1,0,0,0,0|1,0,1]=3 739 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|1,0,0]=2 740 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|1,0,0]=2 741 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,1,0,0,0,0|1,0,0]=2 742 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,1,0,0,0,0|1,0,0]=2 743 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [0,1,0,0,0,0|3,0,0]=4 744 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [0,1,0,0,0,0|3,0,0]=4 745 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,1,0,0,0,0|3,0,0]=4 746 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,1,0,0,0,0|3,0,0]=4 747 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 748 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 749 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 750 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 751 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,1,0,0,0,0|3,0,0]=4 752 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,1,0,0,0,0|3,0,0]=4 753 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,1,0,0,0,0|3,0,0]=4 755 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,1,0,0,0,0|3,0,0]=4 756 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,1,0,0,0,0|3,0,0]=4 757 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|1,0,2]=4 758 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,0|2,0,0]=3 759 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,1,0,0,0,0|3,0,0]=4 760 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,1,0,0,0,0|3,0,0]=4 761 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,1,0,0,0,0|3,0,0]=4 762 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,1,0,0,0,0|3,0,0]=4 763 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,1,0,0,0,0|3,0,0]=4 764 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,0,0|2,0,0]=3 765 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,0,0,0,0|2,0,1]=4 766 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,0|1,0,2]=4 767 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,0,0,0,0|2,0,0]=3 768 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,0,0,0,0|2,0,0]=3 769 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,0,0,0,0|2,0,0]=3 770 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,1,0,0,0,0|3,0,0]=4 771 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,1,0,0,0,0|3,0,0]=4 772 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [0,1,0,0,0,0|3,0,0]=4 773 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [0,1,0,0,0,0|3,0,0]=4 774 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,1,0,0,0,0|3,0,0]=4 775 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,1,0,0,0,0|3,0,0]=4 776 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,1,0,0,0,0|2,0,0]=3 777 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 780 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,0|0,0,2]=3 781 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,0|0,0,2]=3 782 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,0|0,0,2]=3 783 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,0,0|2,0,0]=3 784 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,0,0|2,0,0]=3 785 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,0|0,0,2]=3 786 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,0,0|2,0,0]=3 787 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,0,0|2,0,0]=3 788 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,1,0,0,0,0|3,0,0]=4 789 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [0,1,0,0,0,0|3,0,0]=4 790 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [0,1,0,0,0,0|2,0,1]=4 791 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [0,1,0,0,0,0|2,0,1]=4 792 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [0,1,0,0,0,0|2,0,1]=4 793 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [0,1,0,0,0,0|2,0,1]=4 794 B9R0.14 CCCN(CC)CC(C)O 2230a_100000226822_100011218427 [0,1,0,0,0,0|3,0,0]=4 795 B9R0.14 CCCN(CC)CC(C)O 269982a_100000226822_100011218427 [0,1,0,0,0,0|3,0,0]=4 796 B9R0.14 CCCN(CC)C[C@@H](C)O 2230a_100000226822_100009817552 [0,1,0,0,0,0|3,0,0]=4 797 B9R0.14 CCCN(CC)C[C@@H](C)O 269982a_100000226822_100009817552 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.14 CCCN(CC)C[C@H](C)O 2230a_100000729506_100000210303 [0,1,0,0,0,0|3,0,0]=4 799 B9R0.14 CCCN(CC)C[C@H](C)O 269982a_100000729506_100000210303 [0,1,0,0,0,0|3,0,0]=4 800 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.23 C#CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200000035995 [0,1,0,0,0,0|1,0,2]=4 803 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,1,0,0,0,0|1,0,1]=3 805 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,0|2,0,1]=4 806 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,1,0,0,0,0|2,0,1]=4 807 B9R0.23 C=CC(C)C(=O)CC(C)O 1458a_100011216780_100011218427 [0,1,0,0,0,0|1,0,2]=4 808 B9R0.23 CC(C#N)C(=O)C[C@@H](C)O 1458a_100011933948_100000703298 [0,1,0,0,0,0|2,0,1]=4 809 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,1,0,0,0,0|3,0,0]=4 810 B9R0.23 CC(O)CC(=O)C(C)C#N 1458a_100000753662_100011218427 [0,1,0,0,0,0|2,0,1]=4 811 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [0,1,0,0,0,0|2,0,0]=3 812 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,0,0|3,0,0]=4 813 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,1,0,0,0,0|3,0,0]=4 814 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,1,0,0,0,0|3,0,0]=4 815 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,0,0,0,0|2,0,0]=3 816 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,0,0,0,0|2,0,0]=3 817 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,0|1,0,0]=2 818 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [0,1,0,0,0,0|3,0,0]=4 819 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,1,0,0,0,0|3,0,0]=4 820 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,0|1,0,0]=2 821 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,1,0,0,0,0|3,0,0]=4 822 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,1,0,0,0,0|3,0,0]=4 823 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,1,0,0,0,0|3,0,0]=4 824 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,1,0,0,0,0|3,0,0]=4 825 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,1,0,0,0,0|3,0,0]=4 826 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000227577_100000758301 [0,1,0,0,0,0|3,0,0]=4 827 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000741768_100011218427 [0,1,0,0,0,0|3,0,0]=4 828 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000227577_100000758301 [0,1,0,0,0,0|3,0,0]=4 829 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000741768_100011218427 [0,1,0,0,0,0|3,0,0]=4 830 B9R0.23 CCC(C)N(C)C[C@@H](C)O 2230a_100000741768_100009817552 [0,1,0,0,0,0|3,0,0]=4 831 B9R0.23 CCC(C)N(C)C[C@@H](C)O 269982a_100000741768_100009817552 [0,1,0,0,0,0|3,0,0]=4 832 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,0|2,0,0]=3 833 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,0,0,0,0|1,0,0]=2 834 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [0,1,0,0,0,0|3,0,0]=4 835 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,1,0,0,0,0|3,0,0]=4 836 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,0|1,0,2]=4 837 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 838 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 839 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 841 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 842 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 844 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [0,1,0,0,0,0|3,0,0]=4 845 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 846 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,1,0,0,0,0|1,0,0]=2 847 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 848 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 849 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 850 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 851 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [0,1,0,0,0,0|3,0,0]=4 852 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,0,0,0,0|3,0,0]=4 854 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,1,0,0,0,0|2,0,0]=3 855 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,1,0,0,0,0|3,0,0]=4 856 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,1,0,0,0,0|2,0,0]=3 857 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [0,1,0,0,0,0|3,0,0]=4 858 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [0,1,0,0,0,0|2,0,0]=3 859 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,0|0,0,3]=4 860 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,1,0,0,0,0|3,0,0]=4 861 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,1,0,0,0,0|3,0,0]=4 862 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,1,0,0,0,0|3,0,0]=4 863 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,1,0,0,0,0|3,0,0]=4 864 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100000707721_100015525214 [0,1,0,0,0,0|3,0,0]=4 865 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100015525214_100000707721 [0,1,0,0,0,0|3,0,0]=4 866 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100000707721_100015525214 [0,1,0,0,0,0|3,0,0]=4 867 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100015525214_100000707721 [0,1,0,0,0,0|3,0,0]=4 868 B9R0.34 C#CC(C)NC(=O)NCC 512a_100000707721_100015525214 [0,1,0,0,0,0|3,0,0]=4 869 B9R0.34 C#CC(C)NC(=O)NCC 512a_100015525214_100000707721 [0,1,0,0,0,0|3,0,0]=4 870 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,1,0,0,0,0|1,0,2]=4 871 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,1,0,0,0,0|1,0,2]=4 872 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [0,1,0,0,0,0|1,0,2]=4 873 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|0,0,3]=4 874 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|2,0,0]=3 875 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,1,0,0,0,0|3,0,0]=4 876 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,1,0,0,0,0|3,0,0]=4 877 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,0,0,0,0|2,0,0]=3 878 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,0,0,0,0|2,0,0]=3 879 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,0,0,0,0|2,0,0]=3 880 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [0,1,0,0,0,0|3,0,0]=4 881 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,1,0,0,0,0|1,0,2]=4 882 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,1,0,0,0,0|1,0,2]=4 883 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,1,0,0,0,0|1,0,2]=4 884 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,1,0,0,0,0|2,0,1]=4 885 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,1,0,0,0,0|1,0,1]=3 886 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,1,0,0,0,0|1,0,1]=3 888 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,0,0,0,0|2,0,1]=4 889 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,0,0,0,0|1,0,1]=3 890 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,0,0,0,0|2,0,1]=4 891 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,1,0,0,0,0|1,0,1]=3 892 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,1,0,0,0,0|3,0,0]=4 894 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,1,0,0,0,0|3,0,0]=4 895 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,1,0,0,0,0|3,0,0]=4 896 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,1,0,0,0,0|3,0,0]=4 897 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,1,0,0,0,0|3,0,0]=4 898 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,1,0,0,0,0|3,0,0]=4 899 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,1,0,0,0,0|2,0,1]=4 901 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,1,0,0,0,0|2,0,0]=3 905 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,1,0,0,0,0|2,0,0]=3 906 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,1,0,0,0,0|2,0,0]=3 907 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,1,0,0,0,0|2,0,0]=3 909 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,1,0,0,0,0|2,0,0]=3 910 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|1,0,2]=4 911 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|1,0,2]=4 912 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|1,0,2]=4 913 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|1,0,2]=4 914 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|1,0,2]=4 915 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|1,0,2]=4 916 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|2,0,0]=3 917 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|2,0,0]=3 918 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|1,0,0]=2 919 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|1,0,0]=2 920 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|3,0,0]=4 921 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|3,0,0]=4 922 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|3,0,0]=4 923 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|1,0,0]=2 925 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,1,0,0,0,0|3,0,0]=4 926 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,1,0,0,0,0|3,0,0]=4 927 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,1,0,0,0,0|3,0,0]=4 928 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 929 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 930 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,1,0,0,0,0|3,0,0]=4 933 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,1,0,0,0,0|3,0,0]=4 935 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,1,0,0,0,0|3,0,0]=4 936 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,1,0,0,0,0|2,0,0]=3 937 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,1,0,0,0,0|2,0,0]=3 938 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,1,0,0,0,0|3,0,0]=4 939 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,1,0,0,0,0|3,0,0]=4 940 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [0,1,0,0,0,0|3,0,0]=4 942 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [0,1,0,0,0,0|3,0,0]=4 943 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [0,1,0,0,0,0|3,0,0]=4 944 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [0,1,0,0,0,0|3,0,0]=4 945 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,1,0,0,0,0|3,0,0]=4 946 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,1,0,0,0,0|3,0,0]=4 947 B9R0.34 CCCN(C)C[C@@H](O)CF 2230a_100000747261_100015614560 [0,1,0,0,0,0|3,0,0]=4 948 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [0,1,0,0,0,0|3,0,0]=4 949 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [0,1,0,0,0,0|3,0,0]=4 950 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [0,1,0,0,0,0|3,0,0]=4 951 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|1,0,2]=4 952 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,1,0,0,0,0|1,0,2]=4 953 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|1,0,2]=4 954 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 955 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 956 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 957 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|1,0,0]=2 958 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 959 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,1,0,0,0,0|3,0,0]=4 960 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 961 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 962 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,1,0,0,0,0|3,0,0]=4 963 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 964 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100000737613_100015525214 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100015525214_100000737613 [0,1,0,0,0,0|3,0,0]=4 967 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100000737613_100015525214 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100015525214_100000737613 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.34 CCNC(=O)NC(C)C#N 512a_100000737613_100015525214 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.34 CCNC(=O)NC(C)C#N 512a_100015525214_100000737613 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,1,0,0,0,0|3,0,0]=4 972 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,1,0,0,0,0|3,0,0]=4 973 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,1,0,0,0,0|3,0,0]=4 974 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,1,0,0,0,0|3,0,0]=4 975 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,1,0,0,0,0|3,0,0]=4 976 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,1,0,0,0,0|3,0,0]=4 977 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,1,0,0,0,0|3,0,0]=4 978 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,1,0,0,0,0|3,0,0]=4 979 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,1,0,0,0,0|3,0,0]=4 980 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,1,0,0,0,0|3,0,0]=4 981 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,1,0,0,0,0|3,0,0]=4 982 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,1,0,0,0,0|2,0,0]=3 985 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|0,0,2]=3 987 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|0,0,2]=3 988 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|0,0,2]=3 989 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|0,0,2]=3 990 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|0,0,2]=3 991 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|1,0,0]=2 992 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|1,0,0]=2 993 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|0,1,0]=2 994 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|0,1,0]=2 995 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|0,1,0]=2 996 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|0,1,0]=2 997 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|2,0,0]=3 999 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|2,0,0]=3 1000 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|2,0,0]=3 1001 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|2,0,0]=3 1002 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|2,0,0]=3 1003 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|2,0,0]=3 1004 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|0,0,0]=1 1005 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|0,0,0]=1 1006 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|1,1,0]=3 1007 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|1,1,0]=3 1008 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|1,1,0]=3 1009 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|1,1,0]=3 1010 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,1,0,0,0,0|3,0,0]=4 1011 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,1,0,0,0,0|3,0,0]=4 1013 B9R0.34 CNNC(=O)N[C@H](C)CO 273464a_100000737577_100016993582 [0,1,0,0,0,0|3,0,0]=4 1014 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100000737577_100016993582 [0,1,0,0,0,0|3,0,0]=4 1015 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100016993582_100000737577 [0,1,0,0,0,0|3,0,0]=4 1016 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,1,0,0,0,0|2,0,0]=3 1017 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,1,0,0,0,0|3,0,0]=4 1018 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,1,0,0,0,0|3,0,0]=4 1019 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,1,0,0,0,0|2,0,0]=3 1020 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,1,0,0,0,0|3,0,0]=4 1021 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,1,0,0,0,0|3,0,0]=4 1022 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,1,0,0,0,0|2,0,1]=4 1023 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,1,0,0,0,0|2,0,0]=3 1027 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.44 C#CCC(=O)CC(C)(C)O 1458a_100000693243_100000184674 [0,1,0,0,0,0|1,0,2]=4 1029 B9R0.44 C=CCC(=O)CC(C)(C)O 1458a_100000693243_100000210623 [0,1,0,0,0,0|1,0,2]=4 1030 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [0,1,0,0,0,0|3,0,0]=4 1032 B9R0.44 CC(C)(O)CC(=O)CC#N 1458a_100000693243_100011214920 [0,1,0,0,0,0|2,0,1]=4 1033 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [0,1,0,0,0,0|2,0,0]=3 1034 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [0,1,0,0,0,0|2,0,0]=3 1035 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,1,0,0,0,0|2,0,0]=3 1036 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,1,0,0,0,0|1,0,0]=2 1037 B9R0.44 CCCC(=O)CC(F)(F)F 1458a_100000245130_100000210303 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,1,0,0,0,0|2,1,0]=4 1041 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,1,0,0,0,0|2,1,0]=4 1042 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,1,0,0,0,0|3,0,0]=4 1043 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,1,0,0,0,0|3,0,0]=4 1044 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.44 CCCN(C)CC(C)(C)O 2230a_100000755907_100000210303 [0,1,0,0,0,0|3,0,0]=4 1047 B9R0.44 CCCN(C)CC(C)(C)O 269982a_100000755907_100000210303 [0,1,0,0,0,0|3,0,0]=4 1048 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,1,0,0,0,0|2,0,0]=3 1049 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,1,0,0,0,0|2,0,0]=3 1050 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,1,0,0,0,0|2,0,0]=3 1051 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,1,0,0,0,0|1,0,0]=2 1052 B9R0.44 CCNC(=O)CC(F)(F)F 11a_100015525214_100000245130 [0,1,0,0,0,0|3,0,0]=4 1053 B9R0.44 CCNC(=O)CC(F)(F)F 527a_100015525214_100000245130 [0,1,0,0,0,0|3,0,0]=4 1054 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,1,0,0,0,0|3,0,0]=4 1058 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,1,0,0,0,0|3,0,0]=4 1059 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,1,0,0,0,0|2,1,0]=4 1061 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [0,1,0,0,0,0|3,0,0]=4 1064 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [0,1,0,0,0,0|3,0,0]=4 1065 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,1,0,0,0,0|2,0,1]=4 1066 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [0,1,0,0,0,0|3,0,0]=4 1067 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [0,1,0,0,0,0|2,0,0]=3 1068 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,0,0,0,0|1,0,1]=3 1070 B9R0.53 C=C(F)CC(=O)C[C@@H](C)O 1458a_100011933948_100009893438 [0,1,0,0,0,0|1,0,2]=4 1071 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,0|2,0,1]=4 1072 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,0|2,0,1]=4 1074 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,0|1,0,1]=3 1075 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,1,0,0,0,0|1,0,1]=3 1076 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,1,0,0,0,0|1,0,1]=3 1077 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,0|0,0,2]=3 1079 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,1,0,0,0,0|2,0,0]=3 1080 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,0|1,0,0]=2 1081 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,1,0,0,0,0|3,0,0]=4 1082 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,1,0,0,0,0|3,0,0]=4 1083 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,0|1,0,0]=2 1084 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,1,0,0,0,0|3,0,0]=4 1085 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,1,0,0,0,0|2,0,0]=3 1086 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,1,0,0,0,0|2,0,0]=3 1087 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,1,0,0,0,0|2,0,0]=3 1088 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,1,0,0,0,0|2,0,0]=3 1089 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,1,0,0,0,0|3,0,0]=4 1094 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,1,0,0,0,0|3,0,0]=4 1096 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,1,0,0,0,0|3,0,0]=4 1097 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,1,0,0,0,0|3,0,0]=4 1098 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,1,0,0,0,0|3,0,0]=4 1104 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,1,0,0,0,0|3,0,0]=4 1106 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,1,0,0,0,0|1,0,0]=2 1109 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1110 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1111 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1112 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,1,0,0,0,0|3,0,0]=4 1114 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,1,0,0,0,0|2,0,0]=3 1116 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,1,0,0,0,0|2,0,0]=3 1117 B9R0.53 CC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218427 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,1,0,0,0,0|2,0,0]=3 1120 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,1,0,0,0,0|1,0,0]=2 1121 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,1,0,0,0,0|2,0,0]=3 1122 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100000227577_100011218427 [0,1,0,0,0,0|3,0,0]=4 1123 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100011218400_200000210301 [0,1,0,0,0,0|3,0,0]=4 1124 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100000227577_100011218427 [0,1,0,0,0,0|3,0,0]=4 1125 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100011218400_200000210301 [0,1,0,0,0,0|3,0,0]=4 1126 B9R0.53 CC(O)CN(C)C[C@@H](C)O 2230a_100000227577_100009817552 [0,1,0,0,0,0|3,0,0]=4 1127 B9R0.53 CC(O)CN(C)C[C@@H](C)O 269982a_100000227577_100009817552 [0,1,0,0,0,0|3,0,0]=4 1128 B9R0.53 CC(O)CN([13CH3])CC(C)O 2230a_100011218400_200025704644 [0,1,0,0,0,0|3,0,0]=4 1129 B9R0.53 CC(O)CN([13CH3])CC(C)O 269982a_100011218400_200025704644 [0,1,0,0,0,0|3,0,0]=4 1130 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,0,0,0,0|2,0,1]=4 1132 B9R0.53 C[C@@H](O)CC(=O)CC(F)F 1458a_100011933948_100011934356 [0,1,0,0,0,0|2,0,0]=3 1133 B9R0.53 C[C@@H](O)CC(=O)C[N+](=O)[O-] 1458a_100011933948_100000761209 [0,1,0,0,0,0|3,0,0]=4 1134 B9R0.58 CCNS(=O)(=O)CC(C)C 270084a_100015525214_100000748289 [0,1,0,0,0,0|3,0,0]=4 1135 B9R0.58 CCNS(=O)(=O)CC(C)C 274078a_100015525214_100000748289 [0,1,0,0,0,0|3,0,0]=4 1136 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,1,0,0|3,0,0]=4 1137 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,1,0,0|3,0,0]=4 1138 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,1,0,0|2,0,1]=4 1139 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,1,0,0|2,0,1]=4 1140 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,1,0,0|2,0,1]=4 1141 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,0,0,1,0,0|3,0,0]=4 1142 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,0,0,1,0,0|3,0,0]=4 1143 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,0,0,1,0,0|3,0,0]=4 1144 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,0,0,1,0,0|3,0,0]=4 1145 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,0,0,1,0,0|3,0,0]=4 1146 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,0,0,1,0,0|3,0,0]=4 1147 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,0,0,1,0,0|3,0,0]=4 1148 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,0,0,1,0,0|3,0,0]=4 1149 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,0,0,1,0,0|3,0,0]=4 1150 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,0,0,1,0,0|3,0,0]=4 1151 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|1,0,2]=4 1152 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,0|0,0,2]=3 1153 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,0,0,1,0,0|3,0,0]=4 1154 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,0,0,1,0,0|3,0,0]=4 1155 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,0,0,1,0,0|2,0,0]=3 1156 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,0,0,1,0,0|2,0,0]=3 1157 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,0,0,1,0,0|3,0,0]=4 1158 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,0,0,1,0,0|3,0,0]=4 1159 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|3,0,0]=4 1160 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,0,0,1,0,0|3,0,0]=4 1161 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,0,0,1,0,0|3,0,0]=4 1162 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|3,0,0]=4 1163 B9R1.53 CC(O)CN1CC(C1)C 2230a_100000702820_100011218427 [0,0,0,1,0,0|3,0,0]=4 1164 B9R1.53 CC(O)CN1CC(C1)C 269982a_100000702820_100011218427 [0,0,0,1,0,0|3,0,0]=4 1165 B9R1.53 CC(O)CN1CC(C1)C 34a_100000702820_100011218427 [0,0,0,1,0,0|3,0,0]=4 1166 B9R1.53 CC1CN(C1)C[C@@H](C)O 2230a_100000702820_100009817552 [0,0,0,1,0,0|3,0,0]=4 1167 B9R1.53 CC1CN(C1)C[C@@H](C)O 269982a_100000702820_100009817552 [0,0,0,1,0,0|3,0,0]=4 1168 B9R1.53 CC1CN(C1)C[C@@H](C)O 34a_100000702820_100009817552 [0,0,0,1,0,0|3,0,0]=4 1169 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,0,0,1,0,0|3,0,0]=4 1170 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,0,0,1,0,0|3,0,0]=4 1171 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,0,0,1,0,0|3,0,0]=4 1172 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,0,0,1,0,0|3,0,0]=4 1173 B9R1.75 C#CCC(=O)CC1CO1 1458a_100011220946_100011216344 [0,0,0,1,0,0|1,0,2]=4 1174 B9R1.75 C#CCC(=O)C[C@@H]1CO1 1458a_100011220946_100000745022 [0,0,0,1,0,0|1,0,2]=4 1175 B9R1.75 C=CCC(=O)CC1CO1 1458a_100000210193_100011216344 [0,0,0,1,0,0|1,0,2]=4 1176 B9R1.75 C=CCC(=O)C[C@@H]1CO1 1458a_100000210193_100000745022 [0,0,0,1,0,0|1,0,2]=4 1177 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,0,0,1,0,0|2,0,1]=4 1178 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,0,0,1,0,0|1,0,1]=3 1179 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,0,0,1,0,0|1,1,1]=4 1180 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,0,0,1,0,0|1,0,1]=3 1181 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,0,0,1,0,0|2,0,1]=4 1182 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,0,0,1,0,0|1,0,1]=3 1183 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,0,0,1,0,0|1,1,1]=4 1184 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,0,0,1,0,0|1,0,1]=3 1185 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,0|2,0,0]=3 1186 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,0|2,0,0]=3 1187 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,0|1,0,0]=2 1188 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|1,1,0]=3 1189 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,0|1,0,0]=2 1190 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,0,0,1,0,0|3,0,0]=4 1191 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,0,0,1,0,0|3,0,0]=4 1192 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,0,0,1,0,0|3,0,0]=4 1193 B9R1.75 CCCN(C)CC1CO1 2230a_100000747261_100011216344 [0,0,0,1,0,0|3,0,0]=4 1194 B9R1.75 CCCN(C)CC1CO1 269982a_100000747261_102125554688 [0,0,0,1,0,0|3,0,0]=4 1195 B9R1.75 CCCN(C)C[C@@H]1CO1 269982a_100000747261_100000745022 [0,0,0,1,0,0|3,0,0]=4 1196 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 1197 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 1198 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 1199 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,0,0,1,0,0|3,0,0]=4 1200 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,0,0,1,0,0|3,0,0]=4 1201 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,0,0,1,0,0|3,0,0]=4 1202 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,0,0,1,0,0|3,0,0]=4 1203 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,0,0,1,0,0|3,0,0]=4 1204 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,0,0,1,0,0|3,0,0]=4 1205 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,0,0,1,0,0|3,0,0]=4 1206 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,0,0,1,0,0|2,0,0]=3 1207 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,0,0,1,0,0|2,1,0]=4 1208 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,0,0,1,0,0|2,0,0]=3 1209 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,0,0,1,0,0|3,0,0]=4 1210 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,0,0,1,0,0|2,0,0]=3 1211 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,0,0,1,0,0|2,1,0]=4 1212 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,0,0,1,0,0|2,0,0]=3 1213 B9R1.75 N#CCC(=O)CC1CO1 1458a_100051588842_100011216344 [0,0,0,1,0,0|2,0,1]=4 1214 B9R1.75 N#CCC(=O)C[C@@H]1CO1 1458a_100051588842_100000745022 [0,0,0,1,0,0|2,0,1]=4 1215 B9R1.75 O=C(C=CBr)CC1CO1 1458a_100016273825_100011216344 [0,0,0,1,0,0|2,0,1]=4 1216 B9R1.75 O=C(C=CBr)C[C@@H]1CO1 1458a_100016273825_100000745022 [0,0,0,1,0,0|2,0,1]=4 1217 B9R1.75 O=C(C=CCl)CC1CO1 1458a_200016279998_100011216344 [0,0,0,1,0,0|2,0,1]=4 1218 B9R1.75 O=C(C=CCl)C[C@@H]1CO1 1458a_200016279998_100000745022 [0,0,0,1,0,0|2,0,1]=4 1219 B9R1.75 O=C(C=CI)CC1CO1 1458a_100016256311_100011216344 [0,0,0,1,0,0|2,0,1]=4 1220 B9R1.75 O=C(C=CI)C[C@@H]1CO1 1458a_100016256311_100000745022 [0,0,0,1,0,0|2,0,1]=4 1221 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,0,0,1,0,0|3,0,0]=4 1222 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,0,0,1,0,0|3,0,0]=4 1223 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,0,0,1,0,0|3,0,0]=4 1224 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,0,0,1,0,0|2,0,0]=3 1225 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,0,0,1,0,0|2,1,0]=4 1226 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,0,0,1,0,0|2,0,0]=3 1227 B9R1.136 CCCN1CC(C1)(C)O 2230a_100000718560_100000210303 [0,0,0,1,0,0|3,0,0]=4 1228 B9R1.136 CCCN1CC(C1)(C)O 269982a_100000718560_100000210303 [0,0,0,1,0,0|3,0,0]=4 1229 B9R1.136 CCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210202 [0,0,0,1,0,0|2,0,1]=4 1230 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,0,1,0,0|2,0,1]=4 1231 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,0,1,0,0|1,0,2]=4 1232 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,0,0,1,0,0|2,0,0]=3 1233 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,0,0,1,0,0|3,0,0]=4 1234 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,0,0,1,0,0|3,0,0]=4 1235 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,0,0,1,0,0|3,0,0]=4 1236 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,0,0,1,0,0|3,0,0]=4 1237 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,0,0,1,0,0|3,0,0]=4 1238 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,0,1,0,0|1,0,0]=2 1239 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [0,0,0,1,0,0|2,0,0]=3 1240 B9R1.137 CC(O)CN(C)C1CC1 2230a_100000226674_100011218427 [0,0,0,1,0,0|3,0,0]=4 1241 B9R1.137 CC(O)CN(C)C1CC1 269982a_100000226674_100011218427 [0,0,0,1,0,0|3,0,0]=4 1242 B9R1.137 CC(O)CN(C)C1CC1 269982a_100000227577_100000211595 [0,0,0,1,0,0|3,0,0]=4 1243 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [0,0,0,1,0,0|3,0,0]=4 1244 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [0,0,0,1,0,0|3,0,0]=4 1245 B9R1.137 C[C@@H](O)CN(C)C1CC1 2230a_100000226674_100009817552 [0,0,0,1,0,0|3,0,0]=4 1246 B9R1.137 C[C@@H](O)CN(C)C1CC1 269982a_100000226674_100009817552 [0,0,0,1,0,0|3,0,0]=4 1247 B9R1.137 O=C(CC(F)F)C1CC1 1458a_100000210395_100011934356 [0,0,0,1,0,0|3,0,0]=4 1248 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,0,0,1,0,0|3,0,0]=4 1249 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,0,0,1,0,0|3,0,0]=4 1250 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|2,0,0]=3 1251 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|2,0,0]=3 1252 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|2,0,0]=3 1253 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|2,0,0]=3 1254 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1255 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1256 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1257 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,0,0,1,0,0|3,0,0]=4 1258 B9R1.183 CNNC(=O)[C@@H]1C[C@@H]1F 22a_100016993582_100015396687 [0,0,0,1,0,0|3,0,0]=4 1259 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,0,0,1,0,0|3,0,0]=4 1260 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,0,0,1,0,0|3,0,0]=4 1261 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,0,0,0,1,0|1,0,2]=4 1262 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,0,0,0,1,0|1,0,2]=4 1263 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,1,0|2,0,1]=4 1264 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,0,0,1,0|2,0,1]=4 1265 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,0,0,0,1,0|1,0,2]=4 1266 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,0,0,0,1,0|1,0,2]=4 1267 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,0,0,0,1,0|2,0,1]=4 1268 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,0,0,0,1,0|3,0,0]=4 1269 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,0,0,0,1,0|3,0,0]=4 1270 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,0,0,0,1,0|3,0,0]=4 1271 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,0,0,0,1,0|3,0,0]=4 1272 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,0,0,0,1,0|3,0,0]=4 1273 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,0,0,0,1,0|3,0,0]=4 1274 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,0,0,0,1,0|3,0,0]=4 1275 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,0,0,0,1,0|2,0,1]=4 1276 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,0,0,1,0|2,0,0]=3 1277 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,0,0,1,0|2,0,0]=3 1278 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,0,0,1,0|2,0,0]=3 1279 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,0,0,1,0|2,0,0]=3 1280 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1281 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1282 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1283 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1284 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,1,0|1,0,0]=2 1285 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,1,0|1,0,0]=2 1286 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,1,0|1,0,2]=4 1287 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,1,0|1,0,2]=4 1288 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,0,0,1,0|2,0,0]=3 1289 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,0,0,1,0|2,0,0]=3 1290 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,0,0,1,0|2,0,0]=3 1291 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,0,0,1,0|2,0,0]=3 1292 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,0,0,1,0|2,0,0]=3 1293 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,0,0,1,0|2,0,0]=3 1294 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,0,0,0,1,0|3,0,0]=4 1295 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,0,0,0,1,0|3,0,0]=4 1296 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,0,0,0,1,0|3,0,0]=4 1297 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,0,0,0,1,0|2,0,0]=3 1298 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,0,0,0,1,0|3,0,0]=4 1299 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,0,0,1,0|1,0,0]=2 1300 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,0,0,1,0|1,0,0]=2 1301 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,0,0,1,0|2,0,1]=4 1302 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,0,0,0,1,0|3,0,0]=4 1303 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,0,0,0,1,0|3,0,0]=4 1304 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,0,0,0,1,0|3,0,0]=4 1305 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,0,0,0,1,0|3,0,0]=4 1306 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,0,0,0,1,0|3,0,0]=4 1307 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,0,0,0,1,0|3,0,0]=4 1308 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,0,0,0,1,0|2,0,0]=3 1309 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,0,0,0,1,0|2,0,0]=3 1310 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,0,0,0,1,0|3,0,0]=4 1311 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,0,0,0,1,0|3,0,0]=4 1312 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,0,0,0,1,0|3,0,0]=4 1313 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,0,0,0,1,0|3,0,0]=4 1314 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,0,0,0,1,0|3,0,0]=4 1315 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,0,0,0,1,0|2,0,1]=4 1316 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,0,0,0,1,0|2,0,0]=3 1317 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,0,0,0,1,0|2,0,0]=3 1318 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,0,0,0,1,0|2,0,1]=4 1319 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,0,0,0,1,0|2,0,0]=3 1320 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,0,0,0,1,0|2,0,0]=3 1321 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,0,0,0,1,0|3,0,0]=4 1322 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,0,0,0,1,0|3,0,0]=4 1323 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,0,0,0,0,1|1,0,2]=4 1324 B9R0.48 C#CCC(=O)NCC(C)O 527a_100000210904_100011220946 [0,0,0,0,0,1|1,0,2]=4 1325 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,0,1|2,0,1]=4 1326 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,0,1|2,0,1]=4 1327 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,0,1|2,0,1]=4 1328 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,0,1|2,0,1]=4 1329 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,0,1|2,0,1]=4 1330 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,0,1|2,0,1]=4 1331 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,0,1|2,0,1]=4 1332 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,0,1|2,0,1]=4 1333 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,0,1|2,0,1]=4 1334 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,0,0,0,0,1|2,0,1]=4 1335 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,0,0,0,0,1|2,0,1]=4 1336 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,0,0,0,0,1|2,0,1]=4 1337 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,0,0,0,0,1|2,0,1]=4 1338 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,0,0,0,0,1|2,0,1]=4 1339 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,0,0,0,0,1|2,0,1]=4 1340 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,0,0,0,0,1|1,0,2]=4 1341 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [0,0,0,0,0,1|1,0,2]=4 1342 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [0,0,0,0,0,1|1,0,2]=4 1343 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [0,0,0,0,0,1|1,0,2]=4 1344 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,0,0,0,0,1|1,0,2]=4 1345 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,0,0,0,0,1|1,0,2]=4 1346 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,0,0,0,0,1|1,0,2]=4 1347 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,0,0,0,0,1|1,0,2]=4 1348 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,0,0,0,0,1|1,0,2]=4 1349 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,0,0,0,0,1|2,0,1]=4 1350 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,0,0,0,0,1|1,0,1]=3 1351 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,0,0,0,0,1|3,0,0]=4 1352 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,0,1|3,0,0]=4 1353 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,0,1|3,0,0]=4 1354 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,0,0,0,0,1|3,0,0]=4 1355 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,0,0,0,0,1|3,0,0]=4 1356 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,0,0,0,0,1|3,0,0]=4 1357 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,0,0,0,0,1|3,0,0]=4 1358 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,0,0,0,0,1|3,0,0]=4 1359 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,0,0,0,0,1|3,0,0]=4 1360 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,0,0,0,0,1|3,0,0]=4 1361 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,0,0,0,0,1|3,0,0]=4 1362 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,0,0,0,0,1|3,0,0]=4 1363 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,0,0,0,0,1|3,0,0]=4 1364 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,0,0,0,0,1|3,0,0]=4 1365 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,0,0,0,0,1|3,0,0]=4 1366 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,0,0,0,0,1|2,0,1]=4 1367 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,0,0,0,0,1|2,0,1]=4 1368 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,0,0,0,0,1|2,0,1]=4 1369 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,0,0,0,0,1|2,0,1]=4 1370 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,0,0,0,0,1|2,0,0]=3 1371 B9R0.48 CC(O)CNC(=O)C=CBr 240690a_100000210904_100016273825 [0,0,0,0,0,1|2,0,1]=4 1372 B9R0.48 CC(O)CNC(=O)C=CCl 11a_100000210904_200016279998 [0,0,0,0,0,1|2,0,1]=4 1373 B9R0.48 CC(O)CNC(=O)C=CCl 240690a_100000210904_200016279998 [0,0,0,0,0,1|2,0,1]=4 1374 B9R0.48 CC(O)CNC(=O)CC#N 240690a_100000210904_100051588842 [0,0,0,0,0,1|2,0,1]=4 1375 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,0,0,0,0,1|2,0,0]=3 1376 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,0,0,0,0,1|2,0,1]=4 1377 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,0,0,0,0,1|1,0,1]=3 1378 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,0,0,0,0,1|2,0,1]=4 1379 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,0,0,0,0,1|2,0,1]=4 1380 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,0,0,0,0,1|2,0,1]=4 1381 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,0,0,0,0,1|1,0,1]=3 1382 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,0,0,0,0,1|1,0,1]=3 1383 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,0,0,0,0,1|2,0,1]=4 1384 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,1|2,0,1]=4 1385 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,1|2,0,1]=4 1386 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,0,1|2,0,0]=3 1387 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,0,1|2,0,0]=3 1388 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,0,1|1,0,0]=2 1389 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,0,1|3,0,0]=4 1390 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,1|1,0,2]=4 1391 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,0,1|2,0,0]=3 1392 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,1|1,0,2]=4 1393 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,0,1|2,0,0]=3 1394 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,0,0,0,0,1|3,0,0]=4 1395 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,1|1,0,2]=4 1396 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,0,1|2,0,0]=3 1397 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,0,1|2,0,0]=3 1398 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,0,1|2,0,0]=3 1399 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,0,0,0,0,1|3,0,0]=4 1400 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,0,1|2,0,0]=3 1401 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,0,1|2,0,0]=3 1402 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,0,1|2,0,0]=3 1403 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,0,1|2,0,0]=3 1404 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,0,1|1,0,0]=2 1405 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,0,1|1,0,0]=2 1406 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,0,1|1,0,0]=2 1407 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1408 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1409 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1410 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1411 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,0,0,0,0,1|3,0,0]=4 1412 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,1|1,0,2]=4 1413 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,0,0,0,0,1|3,0,0]=4 1414 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,0,0,0,0,1|3,0,0]=4 1415 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,0,0,0,0,1|2,0,1]=4 1416 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,0,0,0,0,1|2,0,1]=4 1417 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,0,0,0,0,1|2,0,1]=4 1418 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,0,0,0,0,1|2,0,1]=4 1419 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,0,0,0,0,1|2,0,1]=4 1420 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,0,0,0,0,1|2,0,1]=4 1421 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,0,0,0,0,1|2,0,1]=4 1422 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,0,0,0,0,1|2,0,1]=4 1423 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,0,0,0,0,1|2,0,1]=4 1424 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,0,0,0,0,1|2,0,1]=4 1425 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,0,0,0,0,1|2,0,1]=4 1426 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,0,0,0,0,1|2,0,1]=4 1427 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,0,0,0,0,1|2,0,1]=4 1428 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,0,0,0,0,1|3,0,0]=4 1429 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,0,0,0,0,1|3,0,0]=4 1430 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,0,0,0,0,1|2,0,1]=4 1431 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,0,0,0,0,1|2,0,1]=4 1432 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,1|2,0,1]=4 1433 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,1|2,0,1]=4 1434 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,1|2,0,1]=4 1435 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,1|1,0,2]=4 1436 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,1|1,0,2]=4 1437 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,0,0,0,0,1|2,0,0]=3 1438 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,0,0,0,0,1|2,0,0]=3 1439 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,0,0,0,0,1|2,0,0]=3 1440 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,0,0,0,0,1|3,0,0]=4 1441 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,0,0,0,0,1|3,0,0]=4 1442 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,0,0,0,0,1|3,0,0]=4 1443 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,0,0,0,0,1|3,0,0]=4 1444 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,0,0,0,0,1|3,0,0]=4 1445 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,0,0,0,0,1|3,0,0]=4 1446 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,0,0,0,0,1|3,0,0]=4 1447 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,1|1,0,2]=4 1448 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,1|1,0,2]=4 1449 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,1|1,0,2]=4 1450 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,1|1,0,2]=4 1451 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,1|1,0,2]=4 1452 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,1|1,0,2]=4 1453 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,1|1,0,2]=4 1454 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,0,0,0,1|2,0,0]=3 1455 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,0,0,0,1|2,0,0]=3 1456 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,0,0,0,1|2,0,0]=3 1457 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,1|1,0,2]=4 1458 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,1|1,0,2]=4 1459 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,0,0,0,0,1|2,0,0]=3 1460 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,0,0,0,0,1|2,0,0]=3 1461 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,0,0,0,0,1|2,0,0]=3 1462 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,0,0,0,0,1|2,0,0]=3 1463 B9R0.48 CCNC(=O)COC(F)F 11a_100015525214_200000719455 [0,0,0,0,0,1|3,0,0]=4 1464 B9R0.48 CCNC(=O)COC(F)F 240690a_100015525214_200000719455 [0,0,0,0,0,1|3,0,0]=4 1465 B9R0.48 CCNC(=O)COC(F)F 527a_100015525214_200000719455 [0,0,0,0,0,1|3,0,0]=4 1466 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,1|1,0,2]=4 1467 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,1|1,0,2]=4 1468 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,0,0,0,0,1|2,0,0]=3 1469 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,0,0,0,0,1|2,0,0]=3 1470 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,0,0,0,0,1|2,0,0]=3 1471 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,0,0,0,0,1|2,0,0]=3 1472 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,0,0,0,0,1|2,0,0]=3 1473 B9R0.48 CCNC(=O)CSC(F)F 11a_100015525214_114828291038 [0,0,0,0,0,1|3,0,0]=4 1474 B9R0.48 CCNC(=O)CSC(F)F 240690a_100015525214_114828291038 [0,0,0,0,0,1|3,0,0]=4 1475 B9R0.48 CCNC(=O)CSC(F)F 527a_100015525214_114828291038 [0,0,0,0,0,1|3,0,0]=4 1476 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,0,0,0,0,1|2,0,0]=3 1477 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,0,0,0,0,1|2,0,0]=3 1478 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,0,0,0,0,1|2,0,0]=3 1479 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,0,0,0,0,1|2,0,0]=3 1480 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,0,0,0,0,1|2,0,0]=3 1481 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,0,0,0,0,1|2,0,0]=3 1482 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,0,0,0,0,1|1,0,0]=2 1483 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,0,0,0,0,1|1,0,0]=2 1484 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,0,0,0,0,1|1,0,0]=2 1485 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,0,0,0,0,1|1,0,0]=2 1486 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,0,0,0,0,1|1,0,0]=2 1487 B9R0.48 CCNC(=O)NCC(F)F 2708a_100015525214_100000765723 [0,0,0,0,0,1|3,0,0]=4 1488 B9R0.48 CCNC(=O)NCC(F)F 273464a_100000765723_100015525214 [0,0,0,0,0,1|3,0,0]=4 1489 B9R0.48 CCNC(=O)NCC(F)F 273464a_100015525214_100000765723 [0,0,0,0,0,1|3,0,0]=4 1490 B9R0.48 CCNC(=O)NCC(F)F 512a_100000765723_100015525214 [0,0,0,0,0,1|3,0,0]=4 1491 B9R0.48 CCNC(=O)NCC(F)F 512a_100015525214_100000765723 [0,0,0,0,0,1|3,0,0]=4 1492 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,0,0,0,0,1|3,0,0]=4 1493 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,0,0,0,0,1|3,0,0]=4 1494 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,0,0,0,0,1|3,0,0]=4 1495 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,1|0,0,3]=4 1496 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,1|0,0,3]=4 1497 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,1|0,0,2]=3 1498 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,1|0,0,2]=3 1499 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,0,1|2,0,0]=3 1500 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,0,1|2,0,0]=3 1501 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,0,1|2,0,0]=3 1502 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,0,1|2,0,0]=3 1503 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,0,1|2,0,0]=3 1504 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,0,1|2,0,0]=3 1505 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,1|0,0,2]=3 1506 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,0,1|1,0,0]=2 1507 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,0,1|1,0,0]=2 1508 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,0,1|1,0,0]=2 1509 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,0,1|1,0,0]=2 1510 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,0,1|1,0,0]=2 1511 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,1|0,0,2]=3 1512 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,1|0,0,2]=3 1513 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,0,0,0,1|2,0,1]=4 1514 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,0,0,0,1|2,0,1]=4 1515 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,0,0,0,1|2,0,1]=4 1516 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,0,0,0,0,1|3,0,0]=4 1517 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,0,0,0,0,1|3,0,0]=4 1518 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,0,0,0,0,1|3,0,0]=4 1519 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,0,0,0,0,1|3,0,0]=4 1520 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,0,0,0,0,1|3,0,0]=4 1521 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,0,0,0,0,1|3,0,0]=4 1522 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,0,0,0,0,1|3,0,0]=4 1523 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,0,0,0,0,1|3,0,0]=4 1524 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,0,0,0,0,1|3,0,0]=4 1525 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,0,0,0,0,1|2,0,0]=3 1526 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,0,0,0,0,1|2,0,0]=3 1527 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,0,0,0,0,1|2,0,0]=3 1528 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,0,0,0,0,1|3,0,0]=4 1529 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,0,0,0,0,1|2,0,0]=3 1530 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,0,0,0,0,1|3,0,0]=4 1531 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,0,0,0,0,1|3,0,0]=4 1532 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,0,0,0,0,1|3,0,0]=4 1533 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,0,0,0,0,1|3,0,0]=4 1534 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,0,0,0,0,1|3,0,0]=4 1535 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,0,0,0,0,1|2,0,0]=3 1536 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,0,0,0,0,1|2,0,0]=3 1537 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,0,0,0,0,1|2,0,0]=3 1538 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,0,0,0,0,1|3,0,0]=4 1539 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,0,0,0,0,1|2,0,0]=3 1540 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,0,0,0,0,1|3,0,0]=4 1541 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,0,0,0,0,1|3,0,0]=4 1542 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,0,0,0,0,1|3,0,0]=4 1543 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,0,0,0,0,1|3,0,0]=4 1544 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,0,0,0,0,1|3,0,0]=4 1545 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,0,0,0,0,1|3,0,0]=4 1546 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,0,0,0,0,1|2,0,0]=3 1547 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,0,0,0,0,1|2,0,0]=3 1548 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,0,0,0,0,1|2,0,0]=3 1549 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 1550 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [2,0,0,0,0,0|0,0,2]=4 1551 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 1552 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 1553 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 1554 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|0,0,2]=4 1555 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 1556 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 1557 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 1558 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 1559 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 1560 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 1561 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 1562 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|0,0,0]=2 1563 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|0,0,0]=2 1564 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 1565 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 1566 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 1567 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 1568 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 1569 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 1570 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 1571 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 1572 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 1573 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 1574 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 1575 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 1576 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 1577 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 1578 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 1579 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1580 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1581 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1582 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 1583 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 1584 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 1585 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 1586 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 1587 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 1588 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 1589 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|2,0,0]=4 1590 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 1591 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 1592 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|2,0,0]=4 1593 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 1594 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 1595 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [2,0,0,0,0,0|2,0,0]=4 1596 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [2,0,0,0,0,0|2,0,0]=4 1597 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [2,0,0,0,0,0|2,0,0]=4 1598 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [2,0,0,0,0,0|2,0,0]=4 1599 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [2,0,0,0,0,0|2,0,0]=4 1600 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [2,0,0,0,0,0|2,0,0]=4 1601 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [2,0,0,0,0,0|2,0,0]=4 1602 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [2,0,0,0,0,0|2,0,0]=4 1603 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 1604 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 1605 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 1606 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|1,0,0]=3 1607 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|1,0,0]=3 1608 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 1609 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1610 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1611 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1612 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1613 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 1614 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|1,0,1]=4 1615 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|1,0,1]=4 1616 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [2,0,0,0,0,0|1,0,1]=4 1617 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|1,0,0]=3 1618 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 1619 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 1620 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1621 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1622 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 1623 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 1624 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1625 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 1626 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 1627 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1628 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1629 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1630 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 1631 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 1632 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 1633 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 1634 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 1635 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1636 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 1637 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1638 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1639 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 1640 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1641 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [2,0,0,0,0,0|2,0,0]=4 1642 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 1643 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 1644 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 1645 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 1646 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [2,0,0,0,0,0|1,0,1]=4 1647 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 1648 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 1649 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 1650 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|1,0,0]=3 1651 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 1652 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|1,0,0]=3 1653 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [2,0,0,0,0,0|1,0,1]=4 1654 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|1,0,0]=3 1655 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|1,0,0]=3 1656 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|0,0,0]=2 1657 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [2,0,0,0,0,0|2,0,0]=4 1658 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|2,0,0]=4 1659 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|0,0,0]=2 1660 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|2,0,0]=4 1661 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 1662 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 1663 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 1664 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|2,0,0]=4 1665 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|1,0,0]=3 1666 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1667 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [2,0,0,0,0,0|2,0,0]=4 1668 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1669 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [2,0,0,0,0,0|2,0,0]=4 1670 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1671 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1672 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|2,0,0]=4 1673 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|2,0,0]=4 1674 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|2,0,0]=4 1675 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|0,0,0]=2 1676 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [2,0,0,0,0,0|2,0,0]=4 1677 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [2,0,0,0,0,0|2,0,0]=4 1678 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|2,0,0]=4 1679 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|1,0,1]=4 1680 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|1,0,1]=4 1681 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|1,0,1]=4 1682 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [2,0,0,0,0,0|2,0,0]=4 1683 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1684 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1685 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [2,0,0,0,0,0|2,0,0]=4 1686 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [2,0,0,0,0,0|2,0,0]=4 1687 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|1,0,1]=4 1688 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|0,1,1]=4 1689 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|0,1,1]=4 1690 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [2,0,0,0,0,0|2,0,0]=4 1691 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [2,0,0,0,0,0|1,1,0]=4 1692 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [2,0,0,0,0,0|1,1,0]=4 1693 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|2,0,0]=4 1694 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|2,0,0]=4 1695 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|2,0,0]=4 1696 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|2,0,0]=4 1697 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 1698 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|1,0,0]=3 1699 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 1700 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|1,0,0]=3 1701 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|0,0,2]=4 1702 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|0,0,2]=4 1703 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|0,0,2]=4 1704 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|1,0,0]=3 1705 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|1,0,0]=3 1706 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|1,0,0]=3 1707 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|1,0,0]=3 1708 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|0,0,0]=2 1709 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [2,0,0,0,0,0|2,0,0]=4 1710 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [2,0,0,0,0,0|2,0,0]=4 1711 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [2,0,0,0,0,0|2,0,0]=4 1712 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|1,0,0]=3 1713 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|1,0,0]=3 1714 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|0,0,0]=2 1715 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|1,1,0]=4 1716 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|1,1,0]=4 1717 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|0,1,0]=3 1718 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|0,1,0]=3 1719 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|0,1,0]=3 1720 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|0,1,0]=3 1721 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|1,0,1]=4 1722 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|1,0,1]=4 1723 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|1,0,1]=4 1724 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|1,0,1]=4 1725 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|1,0,1]=4 1726 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1727 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|1,0,1]=4 1728 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1729 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|0,0,1]=3 1730 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|1,0,1]=4 1731 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|0,1,1]=4 1732 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|0,1,1]=4 1733 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [2,0,0,0,0,0|2,0,0]=4 1734 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|1,0,1]=4 1735 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [2,0,0,0,0,0|2,0,0]=4 1736 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [2,0,0,0,0,0|1,1,0]=4 1737 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [2,0,0,0,0,0|1,1,0]=4 1738 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 1739 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|2,0,0]=4 1740 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 1741 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|2,0,0]=4 1742 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|2,0,0]=4 1743 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|2,0,0]=4 1744 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|2,0,0]=4 1745 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|2,0,0]=4 1746 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|2,0,0]=4 1747 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|2,0,0]=4 1748 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 1749 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 1750 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 1751 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 1752 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,1]=3 1753 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 1754 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 1755 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 1756 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|0,1,1]=4 1757 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|0,1,1]=4 1758 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|2,0,0]=4 1759 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|2,0,0]=4 1760 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|2,0,0]=4 1761 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|2,0,0]=4 1762 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|2,0,0]=4 1763 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|2,0,0]=4 1764 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 1765 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 1766 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 1767 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 1768 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 1769 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 1770 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 1771 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|0,0,1]=3 1772 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 1773 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 1774 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 1775 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 1776 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 1777 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 1778 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 1779 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 1780 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 1781 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 1782 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 1783 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 1784 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 1785 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 1786 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 1787 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 1788 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 1789 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 1790 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 1791 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 1792 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 1793 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|1,0,1]=4 1794 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|1,0,1]=4 1795 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|0,1,1]=4 1796 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|0,1,1]=4 1797 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [1,1,0,0,0,0|2,0,0]=4 1798 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [1,1,0,0,0,0|2,0,0]=4 1799 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,1,0,0,0,0|0,0,2]=4 1800 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,1,0,0,0,0|0,0,2]=4 1801 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [1,1,0,0,0,0|1,0,0]=3 1802 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [1,1,0,0,0,0|2,0,0]=4 1803 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [1,1,0,0,0,0|2,0,0]=4 1804 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [1,1,0,0,0,0|2,0,0]=4 1805 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [1,1,0,0,0,0|2,0,0]=4 1806 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [1,1,0,0,0,0|2,0,0]=4 1807 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [1,1,0,0,0,0|2,0,0]=4 1808 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1809 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [1,1,0,0,0,0|1,0,0]=3 1810 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [1,1,0,0,0,0|2,0,0]=4 1811 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 1812 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 1813 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 1814 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [1,1,0,0,0,0|2,0,0]=4 1815 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [1,1,0,0,0,0|0,0,2]=4 1816 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [1,1,0,0,0,0|0,0,2]=4 1817 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [1,1,0,0,0,0|0,0,2]=4 1818 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [1,1,0,0,0,0|2,0,0]=4 1820 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [1,1,0,0,0,0|2,0,0]=4 1821 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [1,1,0,0,0,0|2,0,0]=4 1822 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [1,1,0,0,0,0|2,0,0]=4 1823 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [1,1,0,0,0,0|2,0,0]=4 1825 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [1,1,0,0,0,0|2,0,0]=4 1826 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [1,1,0,0,0,0|2,0,0]=4 1827 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [1,1,0,0,0,0|2,0,0]=4 1828 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [1,1,0,0,0,0|2,0,0]=4 1829 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [1,1,0,0,0,0|2,0,0]=4 1830 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [1,1,0,0,0,0|2,0,0]=4 1831 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [1,1,0,0,0,0|2,0,0]=4 1832 B8R0.16 CCN(CF)C[C@H](C)O 269982a_100000729506_100015361967 [1,1,0,0,0,0|2,0,0]=4 1833 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|0,0,2]=4 1834 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [1,1,0,0,0,0|0,0,2]=4 1835 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [1,1,0,0,0,0|2,0,0]=4 1836 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [1,1,0,0,0,0|2,0,0]=4 1837 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [1,1,0,0,0,0|2,0,0]=4 1838 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [1,1,0,0,0,0|2,0,0]=4 1839 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|0,0,2]=4 1840 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|0,0,2]=4 1841 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|1,0,0]=3 1842 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [1,1,0,0,0,0|2,0,0]=4 1843 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,1,0,0,0,0|2,0,0]=4 1844 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,1,0,0,0,0|2,0,0]=4 1845 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,1,0,0,0,0|2,0,0]=4 1846 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,1,0,0,0,0|2,0,0]=4 1847 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|0,0,2]=4 1848 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|0,0,2]=4 1849 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|0,0,2]=4 1850 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,2]=4 1851 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,2]=4 1852 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,0]=3 1853 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,0]=3 1854 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,0]=2 1855 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,0]=2 1856 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 1857 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 1858 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,0]=3 1859 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|0,0,0]=2 1860 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [1,1,0,0,0,0|2,0,0]=4 1861 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [1,1,0,0,0,0|2,0,0]=4 1862 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [1,1,0,0,0,0|2,0,0]=4 1863 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 1864 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 1865 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 1866 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 1867 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1868 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1869 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1870 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1871 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|1,0,0]=3 1872 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|1,0,0]=3 1873 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|2,0,0]=4 1874 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|2,0,0]=4 1875 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|2,0,0]=4 1876 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 1877 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 1878 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 1879 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,0]=3 1880 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,0]=3 1881 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 1882 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 1883 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [1,1,0,0,0,0|2,0,0]=4 1884 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [1,1,0,0,0,0|2,0,0]=4 1885 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [1,1,0,0,0,0|2,0,0]=4 1886 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [1,1,0,0,0,0|2,0,0]=4 1887 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [1,1,0,0,0,0|2,0,0]=4 1888 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [1,1,0,0,0,0|2,0,0]=4 1889 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 1890 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 1891 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 1892 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [1,1,0,0,0,0|2,0,0]=4 1893 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [1,1,0,0,0,0|2,0,0]=4 1894 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [1,1,0,0,0,0|2,0,0]=4 1895 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [1,1,0,0,0,0|2,0,0]=4 1896 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [1,1,0,0,0,0|2,0,0]=4 1897 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [1,1,0,0,0,0|2,0,0]=4 1898 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [1,1,0,0,0,0|2,0,0]=4 1899 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|2,0,0]=4 1900 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|0,0,2]=4 1901 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [1,1,0,0,0,0|2,0,0]=4 1902 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [1,1,0,0,0,0|2,0,0]=4 1903 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [1,1,0,0,0,0|2,0,0]=4 1904 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [1,1,0,0,0,0|2,0,0]=4 1905 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 1906 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,0]=3 1907 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 1908 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|0,0,2]=4 1909 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|0,0,2]=4 1910 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|0,0,0]=2 1911 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|0,1,0]=3 1912 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|0,1,0]=3 1913 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|0,1,0]=3 1914 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|0,1,0]=3 1915 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,0]=3 1916 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 1917 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 1918 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [1,1,0,0,0,0|1,0,1]=4 1919 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [1,1,0,0,0,0|0,0,1]=3 1920 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [1,1,0,0,0,0|1,0,1]=4 1921 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [1,1,0,0,0,0|1,0,1]=4 1922 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [1,1,0,0,0,0|1,0,1]=4 1923 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [1,1,0,0,0,0|1,0,1]=4 1924 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [1,1,0,0,0,0|0,0,2]=4 1925 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [1,1,0,0,0,0|2,0,0]=4 1926 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [1,1,0,0,0,0|2,0,0]=4 1927 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [1,1,0,0,0,0|2,0,0]=4 1928 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [1,1,0,0,0,0|2,0,0]=4 1929 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|0,0,0]=2 1930 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [1,1,0,0,0,0|2,0,0]=4 1931 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [1,1,0,0,0,0|1,0,0]=3 1932 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [1,1,0,0,0,0|1,0,0]=3 1933 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [1,1,0,0,0,0|1,0,0]=3 1934 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [1,1,0,0,0,0|2,0,0]=4 1935 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 1936 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 1937 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 1938 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 1939 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|1,0,0]=3 1940 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|1,0,0]=3 1941 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [1,1,0,0,0,0|2,0,0]=4 1942 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [1,1,0,0,0,0|2,0,0]=4 1943 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [1,1,0,0,0,0|2,0,0]=4 1944 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [1,1,0,0,0,0|2,0,0]=4 1945 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [1,1,0,0,0,0|2,0,0]=4 1946 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 1947 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 1948 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 1949 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 1950 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [1,1,0,0,0,0|2,0,0]=4 1951 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [1,1,0,0,0,0|2,0,0]=4 1952 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [1,1,0,0,0,0|2,0,0]=4 1953 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [1,1,0,0,0,0|2,0,0]=4 1954 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|0,0,0]=2 1955 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|0,0,0]=2 1956 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,1,0,0,0,0|1,0,0]=3 1957 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|0,0,0]=2 1958 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|0,0,0]=2 1959 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [1,1,0,0,0,0|2,0,0]=4 1960 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [1,1,0,0,0,0|2,0,0]=4 1961 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [1,1,0,0,0,0|2,0,0]=4 1962 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [1,1,0,0,0,0|2,0,0]=4 1963 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [1,1,0,0,0,0|1,0,0]=3 1964 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [1,1,0,0,0,0|2,0,0]=4 1965 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [1,1,0,0,0,0|2,0,0]=4 1966 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [1,1,0,0,0,0|1,0,0]=3 1967 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [1,1,0,0,0,0|1,0,0]=3 1968 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [1,1,0,0,0,0|0,0,0]=2 1969 B8R0.24 CCC(=O)CC(F)(F)F 1458a_100000245130_100000210202 [1,1,0,0,0,0|2,0,0]=4 1970 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [1,1,0,0,0,0|1,0,1]=4 1971 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [1,1,0,0,0,0|2,0,0]=4 1972 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [1,1,0,0,0,0|1,1,0]=4 1973 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [1,1,0,0,0,0|1,1,0]=4 1974 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [1,1,0,0,0,0|2,0,0]=4 1975 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [1,1,0,0,0,0|2,0,0]=4 1976 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [1,1,0,0,0,0|2,0,0]=4 1977 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [1,1,0,0,0,0|2,0,0]=4 1978 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1979 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [1,1,0,0,0,0|2,0,0]=4 1980 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1981 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [1,1,0,0,0,0|2,0,0]=4 1982 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1983 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1984 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [1,1,0,0,0,0|2,0,0]=4 1985 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 1986 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 1987 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 1988 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [1,1,0,0,0,0|1,0,0]=3 1989 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [1,1,0,0,0,0|1,0,1]=4 1990 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [1,1,0,0,0,0|1,0,1]=4 1991 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [1,1,0,0,0,0|1,0,1]=4 1992 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [1,1,0,0,0,0|1,0,1]=4 1993 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 1994 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,1]=4 1995 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 1996 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 1997 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 1998 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|2,0,0]=4 1999 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|2,0,0]=4 2000 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2001 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|2,0,0]=4 2002 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|2,0,0]=4 2003 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|2,0,0]=4 2004 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|2,0,0]=4 2005 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|2,0,0]=4 2006 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,1,0,0,0,0|2,0,0]=4 2007 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|2,0,0]=4 2008 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|2,0,0]=4 2009 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|2,0,0]=4 2010 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|2,0,0]=4 2011 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|2,0,0]=4 2012 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|2,0,0]=4 2013 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|2,0,0]=4 2014 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [1,1,0,0,0,0|2,0,0]=4 2015 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [1,1,0,0,0,0|2,0,0]=4 2016 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|2,0,0]=4 2017 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|2,0,0]=4 2018 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 2019 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 2020 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 2021 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|1,0,1]=4 2022 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|0,0,1]=3 2023 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,1,0,0,0,0|1,0,1]=4 2024 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [1,1,0,0,0,0|1,0,1]=4 2025 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [1,1,0,0,0,0|1,0,1]=4 2026 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,1,0,0,0,0|1,0,1]=4 2027 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,1,0,0,0,0|1,0,1]=4 2028 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [1,1,0,0,0,0|1,0,1]=4 2029 B8R0.7 C#CCOCCC(C)O 34a_100000210247_100012276601 [1,1,0,0,0,0|0,0,2]=4 2030 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|0,0,2]=4 2031 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|1,0,1]=4 2032 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,1]=4 2033 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|1,0,1]=4 2034 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 2035 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 2036 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|1,0,1]=4 2037 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 2038 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 2039 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,1,0,0,0,0|1,0,1]=4 2040 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,1,0,0,0,0|1,0,1]=4 2041 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|1,0,1]=4 2042 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|1,0,1]=4 2043 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|1,0,1]=4 2044 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|0,0,1]=3 2045 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|0,0,1]=3 2046 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,1,0,0,0,0|0,1,1]=4 2047 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,1,0,0,0,0|0,1,1]=4 2048 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|0,1,1]=4 2049 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|0,1,1]=4 2050 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 2051 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 2052 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 2053 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 2054 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|2,0,0]=4 2055 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|2,0,0]=4 2056 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,1,0,0,0,0|2,0,0]=4 2057 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,1,0,0,0,0|2,0,0]=4 2058 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,1,0,0,0,0|2,0,0]=4 2059 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,1,0,0,0,0|2,0,0]=4 2060 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,1,0,0,0,0|2,0,0]=4 2061 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,1,0,0,0,0|2,0,0]=4 2062 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|2,0,0]=4 2063 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|2,0,0]=4 2064 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 2065 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 2066 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|2,0,0]=4 2067 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|2,0,0]=4 2068 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|2,0,0]=4 2069 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|2,0,0]=4 2070 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [1,1,0,0,0,0|2,0,0]=4 2071 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 2072 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 2073 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 2074 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 2075 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 2076 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 2077 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 2078 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 2079 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 2080 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 2081 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 2082 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 2083 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 2084 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 2085 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 2086 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 2087 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 2088 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|1,0,1]=4 2089 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 2090 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|0,0,1]=3 2091 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 2092 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|0,1,1]=4 2093 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|0,1,1]=4 2094 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 2095 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [1,1,0,0,0,0|2,0,0]=4 2096 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 2097 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,1]=4 2098 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 2099 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|0,0,1]=3 2100 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|1,0,1]=4 2101 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|1,0,1]=4 2102 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|1,0,1]=4 2103 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|1,0,1]=4 2104 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|1,0,1]=4 2105 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|1,0,1]=4 2106 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|1,0,1]=4 2107 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|1,0,1]=4 2108 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|1,0,1]=4 2109 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|1,0,1]=4 2110 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|1,0,1]=4 2111 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|1,0,1]=4 2112 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|1,0,1]=4 2113 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|1,0,1]=4 2114 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|1,0,1]=4 2115 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|1,0,1]=4 2116 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,1,0,0,0,0|1,0,1]=4 2117 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,1,0,0,0,0|1,0,1]=4 2118 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,1,0,0,0,0|0,0,1]=3 2119 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,1,0,0,0,0|0,0,1]=3 2120 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,1,0,0,0,0|0,0,1]=3 2121 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,1,0,0,0,0|0,0,1]=3 2122 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|0,1,1]=4 2123 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|0,1,1]=4 2124 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|2,0,0]=4 2125 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|2,0,0]=4 2126 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|2,0,0]=4 2127 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|2,0,0]=4 2128 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|2,0,0]=4 2129 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|2,0,0]=4 2130 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|2,0,0]=4 2131 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|2,0,0]=4 2132 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|2,0,0]=4 2133 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|2,0,0]=4 2134 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,1,0,0,0,0|1,0,1]=4 2135 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,1,0,0,0,0|0,1,1]=4 2136 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,1,0,0,0,0|0,1,1]=4 2137 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,1,0,0,0,0|2,0,0]=4 2138 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,1,0,0,0,0|2,0,0]=4 2139 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,1,0,0,0,0|2,0,0]=4 2140 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,1,0,0,0,0|2,0,0]=4 2141 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 2142 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 2143 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 2144 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 2145 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,1,0,0,0,0|2,0,0]=4 2146 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,1,0,0,0,0|2,0,0]=4 2147 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,1,0,0,0,0|2,0,0]=4 2148 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,1,0,0,0,0|2,0,0]=4 2149 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [1,1,0,0,0,0|1,0,1]=4 2150 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,1,0,0,0,0|1,0,1]=4 2151 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|1,0,1]=4 2152 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,1,0,0,0,0|1,0,1]=4 2153 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [1,1,0,0,0,0|0,1,1]=4 2154 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [1,1,0,0,0,0|0,1,1]=4 2155 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|1,0,1]=4 2156 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 2157 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 2158 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 2159 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,1,0,0,0,0|2,0,0]=4 2160 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,1,0,0,0,0|2,0,0]=4 2161 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,1,0,0,0,0|2,0,0]=4 2162 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,1,0,0,0,0|2,0,0]=4 2163 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,1,0,0,0,0|2,0,0]=4 2164 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,1,0,0,0,0|2,0,0]=4 2165 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|2,0,0]=4 2166 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|2,0,0]=4 2167 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [1,1,0,0,0,0|1,0,1]=4 2168 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|1,0,1]=4 2169 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 2170 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 2171 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 2172 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,1,0,0,0,0|2,0,0]=4 2173 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,1,0,0,0,0|2,0,0]=4 2174 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,1,0,0,0,0|2,0,0]=4 2175 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,1,0,0,0,0|2,0,0]=4 2176 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,1,0,0,0,0|2,0,0]=4 2177 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,1,0,0,0,0|2,0,0]=4 2178 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [1,1,0,0,0,0|2,0,0]=4 2179 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [1,1,0,0,0,0|2,0,0]=4 2180 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [1,1,0,0,0,0|2,0,0]=4 2181 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [1,1,0,0,0,0|2,0,0]=4 2182 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,1,0,0,0,0|1,0,1]=4 2183 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,1,0,0,0,0|1,0,1]=4 2184 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [1,1,0,0,0,0|2,0,0]=4 2185 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [1,1,0,0,0,0|2,0,0]=4 2186 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [1,1,0,0,0,0|2,0,0]=4 2187 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [1,1,0,0,0,0|2,0,0]=4 2188 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [1,1,0,0,0,0|1,0,1]=4 2190 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [1,1,0,0,0,0|1,0,1]=4 2191 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|0,0,1]=3 2192 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|0,1,1]=4 2193 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|0,1,1]=4 2194 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,1,0,0,0,0|1,0,1]=4 2195 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [1,1,0,0,0,0|2,0,0]=4 2196 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,1,0,0,0,0|1,0,1]=4 2197 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,1,0,0,0,0|1,0,1]=4 2198 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,1,0,0,0,0|1,0,1]=4 2199 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,1,0,0,0,0|2,0,0]=4 2200 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,1,0,0,0,0|2,0,0]=4 2201 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,1,0,0,0,0|2,0,0]=4 2202 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,1,0,0,0,0|2,0,0]=4 2203 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,1,0,0,0,0|2,0,0]=4 2204 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,1,0,0,0,0|2,0,0]=4 2205 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,1,0,0,0,0|2,0,0]=4 2206 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,1,0,0,0,0|2,0,0]=4 2207 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,1,0,0,0,0|2,0,0]=4 2208 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,1,0,0,0,0|2,0,0]=4 2209 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,1,0,0,0,0|2,0,0]=4 2210 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,1,0,0,0,0|2,0,0]=4 2211 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,1,0,0,0,0|2,0,0]=4 2212 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,1,0,0,0,0|1,0,1]=4 2213 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [1,1,0,0,0,0|2,0,0]=4 2214 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,1,0,0,0,0|1,0,1]=4 2215 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,1,0,0,0,0|1,0,1]=4 2216 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,1,0,0,0,0|1,0,1]=4 2217 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,1,0,0,0,0|0,0,1]=3 2218 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,1,0,0,0,0|0,1,1]=4 2219 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,1,0,0,0,0|0,1,1]=4 2220 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [1,1,0,0,0,0|2,0,0]=4 2221 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [1,1,0,0,0,0|2,0,0]=4 2222 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [1,1,0,0,0,0|2,0,0]=4 2223 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [1,1,0,0,0,0|2,0,0]=4 2224 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [1,1,0,0,0,0|2,0,0]=4 2225 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [1,1,0,0,0,0|2,0,0]=4 2226 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [1,1,0,0,0,0|2,0,0]=4 2227 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [1,1,0,0,0,0|2,0,0]=4 2228 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [1,1,0,0,0,0|2,0,0]=4 2229 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [1,1,0,0,0,0|2,0,0]=4 2230 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [1,1,0,0,0,0|2,0,0]=4 2231 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [1,1,0,0,0,0|2,0,0]=4 2232 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [1,1,0,0,0,0|2,0,0]=4 2233 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [1,1,0,0,0,0|2,0,0]=4 2234 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [1,1,0,0,0,0|0,0,2]=4 2235 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,1,0,0,0,0|1,0,1]=4 2236 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,1,0,0,0,0|1,0,1]=4 2237 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [1,1,0,0,0,0|1,0,1]=4 2238 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [1,1,0,0,0,0|1,0,1]=4 2239 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,1,0,0,0,0|1,0,1]=4 2240 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,1,0,0,0,0|1,0,1]=4 2241 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,1,0,0,0,0|1,0,1]=4 2242 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 2243 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 2244 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 2245 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 2246 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [1,1,0,0,0,0|1,0,1]=4 2247 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|1,0,1]=4 2248 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,1,0,0,0,0|1,0,1]=4 2249 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [1,1,0,0,0,0|2,0,0]=4 2250 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [1,1,0,0,0,0|2,0,0]=4 2251 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [1,1,0,0,0,0|2,0,0]=4 2252 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [1,1,0,0,0,0|2,0,0]=4 2253 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [1,1,0,0,0,0|2,0,0]=4 2255 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,1,0,0,0,0|0,0,2]=4 2256 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|1,0,1]=4 2257 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|1,0,1]=4 2258 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,1,0,0,0,0|1,0,1]=4 2259 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,1,0,0,0,0|1,0,1]=4 2260 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2261 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2262 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2263 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2264 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2265 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2266 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [1,1,0,0,0,0|1,0,1]=4 2267 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [1,1,0,0,0,0|1,0,1]=4 2268 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [1,1,0,0,0,0|1,0,1]=4 2269 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [1,1,0,0,0,0|1,0,1]=4 2270 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [1,1,0,0,0,0|1,0,1]=4 2271 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [1,1,0,0,0,0|1,0,1]=4 2272 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [1,1,0,0,0,0|1,0,1]=4 2273 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [1,1,0,0,0,0|1,0,1]=4 2274 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [1,1,0,0,0,0|1,0,1]=4 2275 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,1,0,0,0,0|0,0,2]=4 2276 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,1,0,0,0,0|0,0,2]=4 2277 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,1,0,0,0,0|0,0,2]=4 2278 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,1,0,0,0,0|0,0,2]=4 2279 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,1,0,0,0,0|1,0,1]=4 2280 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,1,0,0,0,0|1,0,1]=4 2281 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,1,0,0,0,0|1,0,1]=4 2282 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,1,0,0,0,0|1,0,1]=4 2283 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,1,0,0,0,0|1,0,1]=4 2284 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,1,0,0,0,0|1,0,1]=4 2285 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [1,1,0,0,0,0|1,0,1]=4 2286 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [1,1,0,0,0,0|1,0,1]=4 2287 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [1,1,0,0,0,0|1,0,1]=4 2288 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|1,0,1]=4 2289 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|1,0,1]=4 2290 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,1]=4 2291 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,0,1]=4 2292 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,1]=4 2293 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 2294 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 2295 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 2296 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [1,1,0,0,0,0|1,0,1]=4 2297 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|1,0,1]=4 2298 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|1,0,1]=4 2299 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,1,0,0,0,0|1,0,1]=4 2300 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,1,0,0,0,0|1,0,1]=4 2301 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 2302 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 2303 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 2304 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [1,1,0,0,0,0|1,0,1]=4 2305 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,1,0,0,0,0|1,0,0]=3 2306 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [1,1,0,0,0,0|2,0,0]=4 2307 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [1,1,0,0,0,0|1,0,0]=3 2308 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|1,0,0]=3 2309 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,1,0,0,0,0|2,0,0]=4 2310 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,1,0,0,0,0|1,0,0]=3 2311 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,1,0,0,0,0|1,0,1]=4 2312 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,1,0,0,0,0|1,0,1]=4 2313 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [1,1,0,0,0,0|2,0,0]=4 2314 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [1,1,0,0,0,0|1,0,1]=4 2315 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|1,0,1]=4 2316 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,1,0,0,0,0|1,0,1]=4 2317 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,1,0,0,0,0|1,0,1]=4 2318 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,0]=3 2319 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,0]=3 2320 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,0]=3 2321 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,0]=3 2322 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,0]=3 2323 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,0]=3 2324 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,0]=3 2325 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|0,0,0]=2 2326 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|0,1,0]=3 2327 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|0,1,0]=3 2328 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|0,1,0]=3 2329 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,1,0,0,0,0|1,1,0]=4 2330 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,1,0,0,0,0|1,1,0]=4 2331 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2332 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2333 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 2334 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 2335 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 2336 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 2337 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|1,0,0]=3 2338 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|1,0,0]=3 2339 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,1,0,0,0,0|1,0,0]=3 2340 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,1,0,0,0,0|0,0,0]=2 2341 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,1,0,0,0,0|0,0,0]=2 2342 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|0,0,0]=2 2343 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,1,0,0,0,0|0,0,0]=2 2344 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,1,0,0,0,0|0,0,0]=2 2345 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 2346 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,1]=4 2347 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 2348 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,1,0,0,0,0|1,0,1]=4 2349 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,1,0,0,0,0|1,0,1]=4 2350 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,1,0,0,0,0|1,0,1]=4 2351 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,1,0,0,0,0|1,0,1]=4 2352 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 2353 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 2354 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,1,0,0,0,0|1,0,1]=4 2355 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|1,0,0]=3 2356 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|1,0,0]=3 2357 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|2,0,0]=4 2358 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|1,0,0]=3 2359 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|1,0,0]=3 2360 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|2,0,0]=4 2361 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|2,0,0]=4 2362 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,0]=3 2363 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,0]=3 2364 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,0]=3 2365 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,1,0,0,0,0|2,0,0]=4 2366 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2367 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,1,0,0,0,0|2,0,0]=4 2370 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 2371 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 2372 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 2373 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 2374 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,0]=3 2375 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,1,0,0,0,0|2,0,0]=4 2376 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,1,0,0,0,0|2,0,0]=4 2377 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,1,0,0,0,0|2,0,0]=4 2378 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,1,0,0,0,0|2,0,0]=4 2379 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,1,0,0,0,0|2,0,0]=4 2380 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2381 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2382 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2383 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|2,0,0]=4 2384 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2385 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2386 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2387 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2388 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2389 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2390 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,1,0,0,0,0|2,0,0]=4 2391 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2392 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,1,0,0,0,0|2,0,0]=4 2393 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 2394 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 2395 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 2396 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 2397 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 2398 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 2399 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 2400 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,1,0,0,0,0|2,0,0]=4 2401 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 2402 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 2403 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|1,0,0]=3 2404 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 2405 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,0]=3 2406 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|1,0,0]=3 2407 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|1,0,0]=3 2408 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|1,0,0]=3 2409 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|1,0,0]=3 2410 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,1]=4 2411 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 2412 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 2413 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|1,0,1]=4 2414 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 2415 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 2416 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 2417 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 2418 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,1,0,0,0,0|1,0,0]=3 2419 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,1,0,0,0,0|1,0,0]=3 2420 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,1,0,0,0,0|1,0,0]=3 2421 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,1,0,0,0,0|1,0,0]=3 2422 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 2423 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 2424 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 2425 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 2426 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 2427 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 2428 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|1,0,0]=3 2429 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|1,0,0]=3 2430 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|1,0,0]=3 2431 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|1,0,0]=3 2432 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 2433 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 2434 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,1,0,0,0,0|1,0,0]=3 2435 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 2436 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 2437 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 2438 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 2439 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,1,0,0,0,0|1,0,0]=3 2440 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,1,0,0,0,0|1,0,0]=3 2441 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,1,0,0,0,0|2,0,0]=4 2442 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,1,0,0,0,0|2,0,0]=4 2443 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 2444 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,1,0,0,0,0|2,0,0]=4 2445 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 2446 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 2447 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,1,0,0,0,0|1,0,0]=3 2448 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,1,0,0,0,0|1,0,0]=3 2449 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,1,0,0,0,0|1,0,0]=3 2450 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,1,0,0,0,0|1,0,0]=3 2451 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,1,0,0,0,0|1,0,0]=3 2452 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,1,0,0,0,0|1,0,0]=3 2453 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,1,0,0,0,0|2,0,0]=4 2454 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,1,0,0,0,0|0,0,0]=2 2455 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [1,1,0,0,0,0|1,0,0]=3 2456 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,1,0,0,0,0|2,0,0]=4 2457 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,1,0,0,0,0|2,0,0]=4 2458 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 2459 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,1,0,0,0,0|2,0,0]=4 2460 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 2461 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,1,0,0,0,0|0,0,0]=2 2462 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,1,0,0,0,0|0,0,0]=2 2463 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,1,0,0,0,0|0,0,0]=2 2464 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|0,0,0]=2 2465 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|0,0,0]=2 2466 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|0,0,0]=2 2467 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|0,0,0]=2 2468 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|0,0,0]=2 2469 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,1,0,0,0,0|0,0,0]=2 2470 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,1,0,0,0,0|0,0,0]=2 2471 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,1,0,0,0,0|1,0,0]=3 2472 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,1,0,0,0,0|1,0,0]=3 2473 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,1,0,0,0,0|1,0,0]=3 2474 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,1,0,0,0,0|1,0,0]=3 2475 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 2476 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [1,1,0,0,0,0|1,0,1]=4 2478 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,1,0,0,0,0|1,0,0]=3 2479 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|0,0,0]=2 2480 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,1,0,0,0,0|1,0,0]=3 2481 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,1,0,0,0,0|2,0,0]=4 2482 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,1,0,0,0,0|0,0,0]=2 2483 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,1,0,0,0,0|1,0,1]=4 2484 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,1,0,0,0,0|1,0,1]=4 2485 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [1,1,0,0,0,0|2,0,0]=4 2486 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,1,0,0,0,0|1,1,0]=4 2487 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|0,1,0]=3 2488 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,1,0,0,0,0|1,1,0]=4 2489 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,1,0,0,0,0|1,1,0]=4 2490 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,1,0,0,0,0|2,0,0]=4 2491 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2492 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,1,0,0,0,0|2,0,0]=4 2493 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,1,0,0,0,0|2,0,0]=4 2494 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [1,1,0,0,0,0|2,0,0]=4 2495 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [1,1,0,0,0,0|2,0,0]=4 2496 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [1,1,0,0,0,0|1,0,1]=4 2497 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|2,0,0]=4 2498 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|2,0,0]=4 2499 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|2,0,0]=4 2500 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2501 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2502 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2503 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2504 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 2505 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 2506 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,1,0,0,0,0|2,0,0]=4 2507 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,0]=3 2508 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,0]=3 2509 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|2,0,0]=4 2510 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|2,0,0]=4 2511 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,1,0,0,0,0|2,0,0]=4 2512 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|2,0,0]=4 2513 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2514 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2515 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2516 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2517 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 2518 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 2519 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,1,0,0,0,0|2,0,0]=4 2520 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,0,0]=3 2521 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,0,0]=3 2522 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|2,0,0]=4 2523 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [1,1,0,0,0,0|1,0,1]=4 2524 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [1,1,0,0,0,0|1,0,1]=4 2525 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [1,1,0,0,0,0|1,0,1]=4 2526 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,0]=3 2527 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,0]=3 2528 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [1,1,0,0,0,0|1,0,0]=3 2529 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [1,1,0,0,0,0|1,0,0]=3 2530 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2531 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|1,0,1]=4 2532 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [1,1,0,0,0,0|1,0,1]=4 2533 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [1,1,0,0,0,0|1,0,1]=4 2534 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,1,0,0,0,0|1,0,1]=4 2535 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [1,1,0,0,0,0|2,0,0]=4 2536 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [1,1,0,0,0,0|1,0,0]=3 2537 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [1,1,0,0,0,0|1,0,0]=3 2538 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,1,0,0,0,0|2,0,0]=4 2539 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,1,0,0,0,0|2,0,0]=4 2540 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [1,1,0,0,0,0|2,0,0]=4 2541 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,1,0,0,0,0|2,0,0]=4 2542 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,1,0,0,0,0|1,0,0]=3 2543 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,1,0,0,0,0|2,0,0]=4 2544 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|2,0,0]=4 2545 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,1,0,0,0,0|1,0,0]=3 2546 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,1,0,0,0,0|1,0,0]=3 2547 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,1,0,0,0,0|2,0,0]=4 2548 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,1,0,0,0,0|2,0,0]=4 2549 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,1,0,0,0,0|1,0,0]=3 2550 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,1,0,0,0,0|1,0,0]=3 2551 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 2552 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 2553 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 2554 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 2555 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [1,1,0,0,0,0|1,0,0]=3 2556 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,1,0,0,0,0|2,0,0]=4 2558 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,1,0,0,0,0|2,0,0]=4 2559 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2560 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2561 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2562 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,1,0,0,0,0|2,0,0]=4 2563 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2564 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2565 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2566 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2567 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2568 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2569 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,1,0,0,0,0|2,0,0]=4 2570 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|1,0,1]=4 2573 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,1,0,0,0,0|1,0,0]=3 2574 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,1,0,0,0,0|1,0,0]=3 2575 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,1,0,0,0,0|1,0,0]=3 2576 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [1,1,0,0,0,0|2,0,0]=4 2577 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [1,1,0,0,0,0|2,0,0]=4 2578 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [1,1,0,0,0,0|2,0,0]=4 2579 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [1,1,0,0,0,0|2,0,0]=4 2581 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 2584 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 2585 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,1,0,0,0,0|2,0,0]=4 2586 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 2588 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 2589 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 2590 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [1,1,0,0,0,0|2,0,0]=4 2591 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [1,1,0,0,0,0|2,0,0]=4 2592 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [1,1,0,0,0,0|2,0,0]=4 2594 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,1,0,0,0,0|1,0,0]=3 2595 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [1,1,0,0,0,0|1,0,0]=3 2596 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [1,1,0,0,0,0|2,0,0]=4 2597 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [1,1,0,0,0,0|2,0,0]=4 2598 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,1,0,0,0,0|1,0,1]=4 2601 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,1,0,0,0,0|1,0,0]=3 2602 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,1,0,0,0,0|1,0,0]=3 2603 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,1,0,0,0,0|1,0,0]=3 2604 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,1,0,0,0,0|1,0,0]=3 2605 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,1,0,0,0,0|1,0,0]=3 2606 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,1,0,0,0,0|1,0,0]=3 2607 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,1,0,0,0,0|1,0,0]=3 2608 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,1,0,0,0,0|1,0,0]=3 2609 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,1,0,0,0,0|1,0,0]=3 2610 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,1,0,0,0,0|1,0,0]=3 2611 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,1,0,0,0,0|1,0,0]=3 2612 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,1,0,0,0,0|1,0,0]=3 2613 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,1,0,0,0,0|1,0,0]=3 2614 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,1,0,0,0,0|1,0,0]=3 2615 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,1,0,0,0,0|1,0,0]=3 2616 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,1,0,0,0,0|1,0,0]=3 2617 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,1,0,0,0,0|1,0,0]=3 2618 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,1,0,0,0,0|1,0,0]=3 2619 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [1,1,0,0,0,0|1,0,1]=4 2620 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [1,1,0,0,0,0|1,1,0]=4 2621 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [1,1,0,0,0,0|1,1,0]=4 2622 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [1,1,0,0,0,0|2,0,0]=4 2624 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [1,1,0,0,0,0|2,0,0]=4 2625 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [1,1,0,0,0,0|2,0,0]=4 2626 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [1,1,0,0,0,0|2,0,0]=4 2627 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [1,1,0,0,0,0|2,0,0]=4 2628 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 2629 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 2630 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 2631 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 2632 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 2633 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 2634 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 2635 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 2636 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [1,1,0,0,0,0|1,0,1]=4 2637 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 2638 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 2639 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [1,1,0,0,0,0|2,0,0]=4 2640 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,1,0,0,1,0|2,0,0]=4 2641 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,1,0,0,1,0|2,0,0]=4 2642 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,1,0,0,1,0|2,0,0]=4 2643 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,1,0,0,1,0|2,0,0]=4 2644 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,1,0,0,1,0|1,0,0]=3 2645 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,1,0,0,1,0|2,0,0]=4 2646 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,1,0,0,1,0|2,0,0]=4 2647 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,1,0,0,1,0|2,0,0]=4 2648 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,1,0,0,1,0|2,0,0]=4 2649 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,1,0,0,1,0|2,0,0]=4 2650 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,1,0,0,1,0|2,0,0]=4 2651 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,1,0,0,1,0|1,0,0]=3 2652 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,1,0,0,1,0|2,0,0]=4 2653 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,1,0,0,1,0|2,0,0]=4 2654 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,1,0,0,1,0|2,0,0]=4 2655 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [0,1,0,0,1,0|2,0,0]=4 2656 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,1,0,0,0,1|1,0,1]=4 2657 B10R0.26 C=COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000036128 [0,1,0,0,0,1|0,0,2]=4 2658 B10R0.26 C=COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000036128 [0,1,0,0,0,1|0,0,2]=4 2659 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,1,0,0,0,1|2,0,0]=4 2660 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,1,0,0,0,1|2,0,0]=4 2661 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,1,0,0,0,1|2,0,0]=4 2662 B10R0.26 CCCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747444 [0,1,0,0,0,1|2,0,0]=4 2663 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,1,0,0,0,1|1,0,0]=3 2664 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,1,0,0,0,1|1,0,0]=3 2665 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,1,0,0,0,1|2,0,0]=4 2666 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,1,0,0,0,1|2,0,0]=4 2667 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,1,0,0,0,1|2,0,0]=4 2668 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,1,0,0,0,1|2,0,0]=4 2669 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,1,0,0,0,1|2,0,0]=4 2670 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,1,0,0,0,1|2,0,0]=4 2671 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [0,1,0,0,0,1|2,0,0]=4 2672 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [0,1,0,0,0,1|2,0,0]=4 2673 B10R0.26 CCNC(=O)CC(=O)C(O)O 1458a_100000233687_100000183381 [0,1,0,0,0,1|2,0,0]=4 2674 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,1,0,0,0,1|1,0,0]=3 2675 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,1,0,0,0,1|1,0,0]=3 2676 B10R0.26 CCNC(=O)CN(C)C(C)C 11a_100015525214_100000743827 [0,1,0,0,0,1|2,0,0]=4 2677 B10R0.26 CCNC(=O)CN(C)C(C)C 2230a_100000741943_100000210206 [0,1,0,0,0,1|2,0,0]=4 2678 B10R0.26 CCNC(=O)CN(C)C(C)C 240690a_100015525214_100000743827 [0,1,0,0,0,1|2,0,0]=4 2679 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_100000741943_100000210206 [0,1,0,0,0,1|2,0,0]=4 2680 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183381 [0,1,0,0,0,1|2,0,0]=4 2681 B10R0.26 CCNC(=O)CN(C)C(C)C 527a_100015525214_100000743827 [0,1,0,0,0,1|2,0,0]=4 2682 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,1,0,0,0,1|2,0,0]=4 2683 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,1,0,0,0,1|2,0,0]=4 2684 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,1,0,0,0,1|2,0,0]=4 2685 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,1,0,0,0,1|2,0,0]=4 2686 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,1,0,0,0,1|2,0,0]=4 2687 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,1,0,0,0,1|2,0,0]=4 2688 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,0,1|1,0,0]=3 2689 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,0,1|1,0,0]=3 2690 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,1,0,0,0,1|1,0,0]=3 2691 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [0,1,0,0,0,1|1,0,0]=3 2692 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,1,0,0,0,1|2,0,0]=4 2693 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,1|0,0,0]=2 2694 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,1|0,0,0]=2 2695 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,1|0,0,2]=4 2696 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,0,1|2,0,0]=4 2697 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,0,1|2,0,0]=4 2698 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,1|0,0,2]=4 2699 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,1|0,0,2]=4 2700 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,1|0,0,2]=4 2701 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,1|0,0,2]=4 2702 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,0,1|1,0,0]=3 2703 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,0,1|1,0,0]=3 2704 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,0,1|1,0,0]=3 2705 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,0,1|1,0,0]=3 2706 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,0,1|1,0,0]=3 2707 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,0,1|1,0,0]=3 2708 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,0,1|2,0,0]=4 2709 B10R0.26 C[C@@H](O)C(=O)CC(=O)NCO 1458a_100000717761_100000185155 [0,1,0,0,0,1|2,0,0]=4 2710 B10R0.26 C[C@H](O)C(=O)CC(=O)NCO 1458a_217856618621_100000185155 [0,1,0,0,0,1|2,0,0]=4 2711 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,1,0,0,0,1|2,0,0]=4 2712 B10R0.32 CC(O)CN(C)C(=O)CCO 240690a_100000227577_100011216618 [0,1,0,0,0,1|2,0,0]=4 2713 B10R0.32 CC/C=C(\C)/C(=O)CC(C)O 1458a_100016988807_100011218427 [0,1,0,0,0,1|2,0,0]=4 2714 B10R0.32 CC=CC(=O)N(C)CC(C)O 240690a_100000227577_100000210699 [0,1,0,0,0,1|1,0,1]=4 2715 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,0,1|2,0,0]=4 2716 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,1,0,0,0,1|2,0,0]=4 2717 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,1,0,0,0,1|2,0,0]=4 2718 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,1,0,0,0,1|2,0,0]=4 2719 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,1,0,0,0,1|2,0,0]=4 2720 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,1,0,0,0,1|1,0,0]=3 2721 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,1,0,0,0,1|1,0,0]=3 2722 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,0,1|2,0,0]=4 2723 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,0,1|2,0,0]=4 2724 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,1,0,0,0,1|1,0,0]=3 2725 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100000736553_100000210206 [0,1,0,0,0,1|2,0,0]=4 2726 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230173 [0,1,0,0,0,1|2,0,0]=4 2727 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100000736553_100000210206 [0,1,0,0,0,1|2,0,0]=4 2728 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100138425928_100000230173 [0,1,0,0,0,1|2,0,0]=4 2729 B10R0.32 CCNC(=O)C(C)OC(C)C 34a_100000212225_100000230173 [0,1,0,0,0,1|2,0,0]=4 2730 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000210206_100000230173 [0,1,0,0,0,1|2,0,0]=4 2731 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000230173_100000210206 [0,1,0,0,0,1|2,0,0]=4 2732 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,1,0,0,0,1|2,0,0]=4 2733 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,1,0,0,0,1|2,0,0]=4 2734 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,1,0,0,0,1|1,0,0]=3 2735 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,0,1|2,0,0]=4 2736 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,0,1|2,0,0]=4 2737 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,1,0,0,0,1|1,0,1]=4 2738 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,1,0,0,0,1|1,0,1]=4 2739 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,1,0,0,0,1|1,0,1]=4 2740 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,0,1|1,0,0]=3 2741 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,0,1|1,0,0]=3 2742 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,0,1|1,0,0]=3 2743 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,0,1|1,0,0]=3 2744 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,0,1|1,0,0]=3 2745 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,0,1|1,0,0]=3 2746 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,0,1|1,0,0]=3 2747 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,0,1|1,0,0]=3 2748 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,0,1|1,0,0]=3 2749 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,0,1|1,0,0]=3 2750 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,0,0,0,1|0,0,2]=4 2751 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,0,1|1,0,0]=3 2752 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,1,0,0,0,1|1,0,1]=4 2753 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,1,0,0,0,1|1,1,0]=4 2754 B10R0.32 COCC(=O)N(C)CC(C)O 240690a_100000227577_100000210968 [0,1,0,0,0,1|2,0,0]=4 2755 B10R0.32 COCC(=O)N(C)CC(C)O 527a_100000227577_100000210968 [0,1,0,0,0,1|2,0,0]=4 2756 B10R0.32 CSCC(=O)N(C)CC(C)O 240690a_100000227577_100000184570 [0,1,0,0,0,1|2,0,0]=4 2757 B10R0.32 CSCC(=O)N(C)CC(C)O 527a_100000227577_100000184570 [0,1,0,0,0,1|2,0,0]=4 2758 B10R0.57 C/C=C(\C)/C(=O)CCC(C)O 1458a_100020587367_100012276601 [0,1,0,0,0,1|1,0,1]=4 2759 B10R0.57 C/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100020587367 [0,1,0,0,0,1|1,0,1]=4 2760 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,1,0,0,0,1|2,0,0]=4 2761 B10R0.57 CC(O)CNC(=O)C(O)CO 240690a_100000210904_100011215603 [0,1,0,0,0,1|2,0,0]=4 2762 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,1,0,0,0,1|2,0,0]=4 2763 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,1,0,0,0,1|2,0,0]=4 2764 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,1,0,0,0,1|2,0,0]=4 2765 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,1,0,0,0,1|1,0,0]=3 2766 B10R0.57 CCC(C)C(=O)COC(C)C 1458a_100000745533_100000758301 [0,1,0,0,0,1|2,0,0]=4 2767 B10R0.57 CCC(C)C(=O)CSC(C)C 1458a_100000241585_100000758301 [0,1,0,0,0,1|2,0,0]=4 2768 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [0,1,0,0,0,1|2,0,0]=4 2769 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [0,1,0,0,0,1|2,0,0]=4 2770 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [0,1,0,0,0,1|2,0,0]=4 2771 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [0,1,0,0,0,1|2,0,0]=4 2772 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,1,0,0,0,1|1,0,0]=3 2773 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,1,0,0,0,1|1,0,0]=3 2774 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,1,0,0,0,1|1,0,0]=3 2775 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,1,0,0,0,1|2,0,0]=4 2776 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,1,0,0,0,1|1,0,0]=3 2777 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,1,0,0,0,1|2,0,0]=4 2778 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,1,0,0,0,1|1,0,0]=3 2779 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,1,0,0,0,1|2,0,0]=4 2780 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,1,0,0,0,1|2,0,0]=4 2781 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,1,0,0,0,1|2,0,0]=4 2782 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,1,0,0,0,1|2,0,0]=4 2783 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,1,0,0,0,1|1,0,0]=3 2784 B10R0.57 CCN(C)C(=O)CNC(C)C 2230a_100138425928_100000738999 [0,1,0,0,0,1|2,0,0]=4 2785 B10R0.57 CCN(C)C(=O)CNC(C)C 34a_100138425928_100000738999 [0,1,0,0,0,1|2,0,0]=4 2786 B10R0.57 CCN(C)C(=O)COC(C)C 11a_100000225621_100000745533 [0,1,0,0,0,1|2,0,0]=4 2787 B10R0.57 CCN(C)C(=O)COC(C)C 1626a_100000225621_100000745533 [0,1,0,0,0,1|2,0,0]=4 2788 B10R0.57 CCN(C)C(=O)COC(C)C 240690a_100000225621_100000745533 [0,1,0,0,0,1|2,0,0]=4 2789 B10R0.57 CCN(C)C(=O)COC(C)C 34a_100000212225_100000738999 [0,1,0,0,0,1|2,0,0]=4 2790 B10R0.57 CCN(C)C(=O)COC(C)C 527a_100000225621_100000745533 [0,1,0,0,0,1|2,0,0]=4 2791 B10R0.57 CCN(C)C(=O)CSC(C)C 11a_100000225621_100000241585 [0,1,0,0,0,1|2,0,0]=4 2792 B10R0.57 CCN(C)C(=O)CSC(C)C 1626a_100000225621_100000241585 [0,1,0,0,0,1|2,0,0]=4 2793 B10R0.57 CCN(C)C(=O)CSC(C)C 240690a_100000225621_100000241585 [0,1,0,0,0,1|2,0,0]=4 2794 B10R0.57 CCN(C)C(=O)CSC(C)C 527a_100000225621_100000241585 [0,1,0,0,0,1|2,0,0]=4 2795 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000210206_100000738999 [0,1,0,0,0,1|2,0,0]=4 2796 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000738999_100000210206 [0,1,0,0,0,1|2,0,0]=4 2797 B10R0.57 CCN(C)C(=O)NCC(C)C 2708a_100000210953_100000225621 [0,1,0,0,0,1|2,0,0]=4 2798 B10R0.57 CCN(C)C(=O)NCC(C)C 273464a_100000210953_100000225621 [0,1,0,0,0,1|2,0,0]=4 2799 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,1,0,0,0,1|1,0,0]=3 2800 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,1,0,0,0,1|2,0,0]=4 2801 B10R0.57 CNC(=O)C(=O)NCC(C)O 240690a_100000210904_100011218921 [0,1,0,0,0,1|2,0,0]=4 2802 B10R0.57 CNC(=O)C(=O)NCC(C)O 527a_100000210904_100011218921 [0,1,0,0,0,1|2,0,0]=4 2803 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,1,0,0,0,1|2,0,0]=4 2804 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,1,0,0,0,1|2,0,0]=4 2805 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,1,0,0,0,1|2,0,0]=4 2806 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,1,0,0,0,1|2,0,0]=4 2807 B10R0.57 COC(C)C(=O)NCC(C)O 11a_100000210904_100000743197 [0,1,0,0,0,1|2,0,0]=4 2808 B10R0.57 COC(C)C(=O)NCC(C)O 240690a_100000210904_100000743197 [0,1,0,0,0,1|2,0,0]=4 2809 B10R0.57 COC(C)C(=O)NCC(C)O 527a_100000210904_100000743197 [0,1,0,0,0,1|2,0,0]=4 2810 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,1,0,0,0,1|2,0,0]=4 2811 B10R0.57 CSC(C)C(=O)NCC(C)O 11a_100000210904_100000149566 [0,1,0,0,0,1|2,0,0]=4 2812 B10R0.57 CSC(C)C(=O)NCC(C)O 240690a_100000210904_100000149566 [0,1,0,0,0,1|2,0,0]=4 2813 B10R0.57 CSC(C)C(=O)NCC(C)O 527a_100000210904_100000149566 [0,1,0,0,0,1|2,0,0]=4 2814 B10R0.78 C#CCCC(=O)CCC(C)O 1458a_100000692101_100012276601 [0,1,0,0,0,1|1,0,1]=4 2815 B10R0.78 C#CCCC(=O)NCC(C)O 11a_100000210904_100000692101 [0,1,0,0,0,1|1,0,1]=4 2816 B10R0.78 C#CCCC(=O)NCC(C)O 240690a_100000210904_100000692101 [0,1,0,0,0,1|1,0,1]=4 2817 B10R0.78 C#CCCC(=O)NCC(C)O 527a_100000210904_100000692101 [0,1,0,0,0,1|1,0,1]=4 2818 B10R0.78 C#CCNC(=O)CCC(C)O 1626a_100000212058_100000718519 [0,1,0,0,0,1|1,0,1]=4 2819 B10R0.78 C#CCNC(=O)NCC(C)O 2708a_100000212058_100000210904 [0,1,0,0,0,1|1,0,1]=4 2820 B10R0.78 C#CCNC(=O)NCC(C)O 273464a_100000210904_100000212058 [0,1,0,0,0,1|1,0,1]=4 2821 B10R0.78 C#CCNC(=O)NCC(C)O 273464a_100000212058_100000210904 [0,1,0,0,0,1|1,0,1]=4 2822 B10R0.78 C#CCNC(=O)NCC(C)O 512a_100000210904_100000212058 [0,1,0,0,0,1|1,0,1]=4 2823 B10R0.78 C#CCNC(=O)NCC(C)O 512a_100000212058_100000210904 [0,1,0,0,0,1|1,0,1]=4 2824 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,1,0,0,0,1|1,0,1]=4 2825 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,1,0,0,0,1|1,0,1]=4 2826 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,1,0,0,0,1|1,0,1]=4 2827 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,1,0,0,0,1|1,0,1]=4 2828 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,1,0,0,0,1|1,0,1]=4 2829 B10R0.78 C=C(CNC(C)C)OCOC 34a_100138425928_100000042856 [0,1,0,0,0,1|2,0,0]=4 2830 B10R0.78 C=C(COC(C)C)OCOC 34a_100000212225_100000042856 [0,1,0,0,0,1|2,0,0]=4 2831 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000042856_100000210206 [0,1,0,0,0,1|2,0,0]=4 2832 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000210206_100000042856 [0,1,0,0,0,1|2,0,0]=4 2833 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,1,0,0,0,1|1,0,1]=4 2834 B10R0.78 C=CCCC(=O)NCC(C)O 11a_100000210904_100000749702 [0,1,0,0,0,1|1,0,1]=4 2835 B10R0.78 C=CCCC(=O)NCC(C)O 240690a_100000210904_100000749702 [0,1,0,0,0,1|1,0,1]=4 2836 B10R0.78 C=CCCC(=O)NCC(C)O 527a_100000210904_100000749702 [0,1,0,0,0,1|1,0,1]=4 2837 B10R0.78 C=CCNC(=O)CCC(C)O 1626a_100020586998_100000718519 [0,1,0,0,0,1|1,0,1]=4 2838 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100000210904_100020586998 [0,1,0,0,0,1|1,0,1]=4 2839 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100020586998_100000210904 [0,1,0,0,0,1|1,0,1]=4 2840 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100000210904_100020586998 [0,1,0,0,0,1|1,0,1]=4 2841 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100020586998_100000210904 [0,1,0,0,0,1|1,0,1]=4 2842 B10R0.78 C=CCOC(=O)CNC(C)C 2230a_100138425928_100000033060 [0,1,0,0,0,1|1,0,1]=4 2843 B10R0.78 C=CCOC(=O)CNC(C)C 34a_100138425928_100000033060 [0,1,0,0,0,1|1,0,1]=4 2844 B10R0.78 C=CCOC(=O)COC(C)C 34a_100000212225_100000033060 [0,1,0,0,0,1|1,0,1]=4 2845 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000033060_100000210206 [0,1,0,0,0,1|1,0,1]=4 2846 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000210206_100000033060 [0,1,0,0,0,1|1,0,1]=4 2847 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,1,0,0,0,1|2,0,0]=4 2848 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,1,0,0,0,1|2,0,0]=4 2849 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,1,0,0,0,1|2,0,0]=4 2850 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,1,0,0,0,1|2,0,0]=4 2851 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,1,0,0,0,1|2,0,0]=4 2852 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,1,0,0,0,1|2,0,0]=4 2853 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,1,0,0,0,1|2,0,0]=4 2854 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,1,0,0,0,1|2,0,0]=4 2855 B10R0.78 CC(C)CNC(=O)NCCF 2708a_100000210953_100000724931 [0,1,0,0,0,1|2,0,0]=4 2856 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000210953_100000724931 [0,1,0,0,0,1|2,0,0]=4 2857 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000724931_100000210953 [0,1,0,0,0,1|2,0,0]=4 2858 B10R0.78 CC(C)CNC(=O)NCCF 512a_100000210953_100000724931 [0,1,0,0,0,1|2,0,0]=4 2859 B10R0.78 CC(C)CNC(=O)NCCO 2708a_100000210953_100000210304 [0,1,0,0,0,1|2,0,0]=4 2860 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210304_100000210953 [0,1,0,0,0,1|2,0,0]=4 2861 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210953_100000210304 [0,1,0,0,0,1|2,0,0]=4 2862 B10R0.78 CC(C)CNC(=O)NCCO 512a_100000210953_100000210304 [0,1,0,0,0,1|2,0,0]=4 2863 B10R0.78 CC(C)NCC(=O)NCCF 2230a_100000725713_100000210206 [0,1,0,0,0,1|2,0,0]=4 2864 B10R0.78 CC(C)OCC(=O)CCCF 1458a_100000745533_100011934791 [0,1,0,0,0,1|2,0,0]=4 2865 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,1,0,0,0,1|2,0,0]=4 2866 B10R0.78 CC(C)OCC(=O)NCCF 11a_100000724931_100000745533 [0,1,0,0,0,1|2,0,0]=4 2867 B10R0.78 CC(C)OCC(=O)NCCF 1626a_100000724931_100000745533 [0,1,0,0,0,1|2,0,0]=4 2868 B10R0.78 CC(C)OCC(=O)NCCF 240690a_100000724931_100000745533 [0,1,0,0,0,1|2,0,0]=4 2869 B10R0.78 CC(C)OCC(=O)NCCF 527a_100000724931_100000745533 [0,1,0,0,0,1|2,0,0]=4 2870 B10R0.78 CC(C)OCC(=O)NCCO 240690a_100000210304_100000745533 [0,1,0,0,0,1|2,0,0]=4 2871 B10R0.78 CC(C)OCC(=O)NCCO 527a_100000210304_100000745533 [0,1,0,0,0,1|2,0,0]=4 2872 B10R0.78 CC(C)SCC(=O)CCCF 1458a_100000241585_100011934791 [0,1,0,0,0,1|2,0,0]=4 2873 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [0,1,0,0,0,1|2,0,0]=4 2874 B10R0.78 CC(C)SCC(=O)NCCF 11a_100000724931_100000241585 [0,1,0,0,0,1|2,0,0]=4 2875 B10R0.78 CC(C)SCC(=O)NCCF 1626a_100000724931_100000241585 [0,1,0,0,0,1|2,0,0]=4 2876 B10R0.78 CC(C)SCC(=O)NCCF 240690a_100000724931_100000241585 [0,1,0,0,0,1|2,0,0]=4 2877 B10R0.78 CC(C)SCC(=O)NCCF 527a_100000724931_100000241585 [0,1,0,0,0,1|2,0,0]=4 2878 B10R0.78 CC(C)SCC(=O)NCCO 240690a_100000210304_100000241585 [0,1,0,0,0,1|2,0,0]=4 2879 B10R0.78 CC(C)SCC(=O)NCCO 527a_100000210304_100000241585 [0,1,0,0,0,1|2,0,0]=4 2880 B10R0.78 CC(O)CCC(=O)C#CCO 1458a_100000049017_100012276601 [0,1,0,0,0,1|1,0,1]=4 2881 B10R0.78 CC(O)CCC(=O)CCC#N 1458a_100011934036_100012276601 [0,1,0,0,0,1|1,0,1]=4 2882 B10R0.78 CC(O)CCC(=O)NCC#N 1626a_100000734998_100000718519 [0,1,0,0,0,1|1,0,1]=4 2883 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,1,0,0,0,1|1,0,0]=3 2884 B10R0.78 CC(O)CNC(=O)CCC#N 11a_100000210904_100011934036 [0,1,0,0,0,1|1,0,1]=4 2885 B10R0.78 CC(O)CNC(=O)CCC#N 240690a_100000210904_100011934036 [0,1,0,0,0,1|1,0,1]=4 2886 B10R0.78 CC(O)CNC(=O)CCC#N 527a_100000210904_100011934036 [0,1,0,0,0,1|1,0,1]=4 2887 B10R0.78 CC(O)CNC(=O)NCC#N 2708a_100000734998_100000210904 [0,1,0,0,0,1|1,0,1]=4 2888 B10R0.78 CC(O)CNC(=O)NCC#N 273464a_100000210904_100000734998 [0,1,0,0,0,1|1,0,1]=4 2889 B10R0.78 CC(O)CNC(=O)NCC#N 273464a_100000734998_100000210904 [0,1,0,0,0,1|1,0,1]=4 2890 B10R0.78 CC(O)CNC(=O)NCC#N 512a_100000210904_100000734998 [0,1,0,0,0,1|1,0,1]=4 2891 B10R0.78 CC(O)CNC(=O)NCC#N 512a_100000734998_100000210904 [0,1,0,0,0,1|1,0,1]=4 2892 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000210904_100000724931 [0,1,0,0,0,1|1,0,0]=3 2893 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000724931_100000210904 [0,1,0,0,0,1|1,0,0]=3 2894 B10R0.78 CC(O)CNC(=O)NCCF 512a_100000210904_100000724931 [0,1,0,0,0,1|1,0,0]=3 2895 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210304_100000210904 [0,1,0,0,0,1|1,0,0]=3 2896 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210904_100000210304 [0,1,0,0,0,1|1,0,0]=3 2897 B10R0.78 CC(O)CNC(=O)NCCO 512a_100000210904_100000210304 [0,1,0,0,0,1|1,0,0]=3 2898 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [0,1,0,0,0,1|1,0,1]=4 2899 B10R0.78 CC=CCC(=O)NCC(C)O 11a_100000210904_100121576822 [0,1,0,0,0,1|1,0,1]=4 2900 B10R0.78 CC=CCC(=O)NCC(C)O 240690a_100000210904_100121576822 [0,1,0,0,0,1|1,0,1]=4 2901 B10R0.78 CC=CCC(=O)NCC(C)O 527a_100000210904_100121576822 [0,1,0,0,0,1|1,0,1]=4 2902 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,1,0,0,0,1|2,0,0]=4 2903 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,1,0,0,0,1|1,0,0]=3 2904 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,1,0,0,0,1|2,0,0]=4 2905 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,1,0,0,0,1|1,0,0]=3 2906 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [0,1,0,0,0,1|2,0,0]=4 2907 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [0,1,0,0,0,1|2,0,0]=4 2908 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [0,1,0,0,0,1|2,0,0]=4 2909 B10R0.78 CCC=CC(=O)NCC(C)O 11a_100000210904_100000212282 [0,1,0,0,0,1|1,0,0]=3 2910 B10R0.78 CCC=CC(=O)NCC(C)O 240690a_100000210904_100000212282 [0,1,0,0,0,1|1,0,0]=3 2911 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,1,0,0,0,1|2,0,0]=4 2912 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,1,0,0,0,1|2,0,0]=4 2913 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,1,0,0,0,1|1,0,0]=3 2914 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,1,0,0,0,1|2,0,0]=4 2915 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,1,0,0,0,1|2,0,0]=4 2916 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,1,0,0,0,1|2,0,0]=4 2917 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,1,0,0,0,1|2,0,0]=4 2918 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,1,0,0,0,1|2,0,0]=4 2919 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,1,0,0,0,1|2,0,0]=4 2920 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,1,0,0,0,1|1,0,0]=3 2921 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,1,0,0,0,1|1,0,0]=3 2922 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,1,0,0,0,1|1,0,0]=3 2923 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,1,0,0,0,1|2,0,0]=4 2924 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,1,0,0,0,1|2,0,0]=4 2925 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,1,0,0,0,1|2,0,0]=4 2926 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,1,0,0,0,1|2,0,0]=4 2927 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,1,0,0,0,1|1,0,0]=3 2928 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100000174927_100000210206 [0,1,0,0,0,1|2,0,0]=4 2929 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100138425928_100000183358 [0,1,0,0,0,1|2,0,0]=4 2930 B10R0.78 CCCNC(=O)CNC(C)C 34a_100138425928_100000183358 [0,1,0,0,0,1|2,0,0]=4 2931 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,1,0,0,0,1|2,0,0]=4 2932 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,1,0,0,0,1|2,0,0]=4 2933 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,1,0,0,0,1|2,0,0]=4 2934 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,1,0,0,0,1|2,0,0]=4 2935 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,1,0,0,0,1|2,0,0]=4 2936 B10R0.78 CCCNC(=O)CSC(C)C 11a_100020643023_100000241585 [0,1,0,0,0,1|2,0,0]=4 2937 B10R0.78 CCCNC(=O)CSC(C)C 1626a_100020643023_100000241585 [0,1,0,0,0,1|2,0,0]=4 2938 B10R0.78 CCCNC(=O)CSC(C)C 240690a_100020643023_100000241585 [0,1,0,0,0,1|2,0,0]=4 2939 B10R0.78 CCCNC(=O)CSC(C)C 527a_100020643023_100000241585 [0,1,0,0,0,1|2,0,0]=4 2940 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000183358_100000210206 [0,1,0,0,0,1|2,0,0]=4 2941 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000210206_100000183358 [0,1,0,0,0,1|2,0,0]=4 2942 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [0,1,0,0,0,1|2,0,0]=4 2943 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [0,1,0,0,0,1|2,0,0]=4 2944 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [0,1,0,0,0,1|2,0,0]=4 2945 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [0,1,0,0,0,1|2,0,0]=4 2946 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [0,1,0,0,0,1|2,0,0]=4 2947 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [0,1,0,0,0,1|2,0,0]=4 2948 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,1,0,0,0,1|1,0,0]=3 2949 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,1,0,0,0,1|1,0,0]=3 2950 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,1,0,0,0,1|1,0,0]=3 2951 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,1,0,0,0,1|1,0,0]=3 2952 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,1,0,0,0,1|1,0,0]=3 2953 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,1,0,0,0,1|1,0,0]=3 2954 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,1,0,0,0,1|1,0,0]=3 2955 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,1,0,0,0,1|1,0,0]=3 2956 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,1,0,0,0,1|1,0,0]=3 2957 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,1,0,0,0,1|1,0,0]=3 2958 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,1,0,0,0,1|0,0,2]=4 2959 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,1,0,0,0,1|2,0,0]=4 2960 B10R0.78 CCNCC(=O)NCC(C)C 2230a_100015525214_100000183291 [0,1,0,0,0,1|2,0,0]=4 2961 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,1,0,0,0,1|2,0,0]=4 2962 B10R0.78 CCNNC(=O)COC(C)C 22a_100000756455_100000745533 [0,1,0,0,0,1|2,0,0]=4 2963 B10R0.78 CCNNC(=O)CSC(C)C 22a_100000756455_100000241585 [0,1,0,0,0,1|2,0,0]=4 2964 B10R0.78 CCNNC(=O)NCC(C)C 273464a_100000210953_100000756455 [0,1,0,0,0,1|2,0,0]=4 2965 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000210953_100000756455 [0,1,0,0,0,1|2,0,0]=4 2966 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000756455_100000210953 [0,1,0,0,0,1|2,0,0]=4 2967 B10R0.78 CCNNC(=O)NCC(C)O 273464a_100000210904_100000756455 [0,1,0,0,0,1|1,0,0]=3 2968 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000210904_100000756455 [0,1,0,0,0,1|1,0,0]=3 2969 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000756455_100000210904 [0,1,0,0,0,1|1,0,0]=3 2970 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,1,0,0,0,1|1,0,1]=4 2971 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,1,0,0,0,1|1,0,0]=3 2972 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,1,0,0,0,1|0,0,0]=2 2973 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,1|0,0,2]=4 2974 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,1,0,0,0,1|1,0,0]=3 2975 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,1,0,0,0,1|1,0,0]=3 2976 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,1,0,0,0,1|1,0,0]=3 2977 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,1,0,0,0,1|1,0,0]=3 2978 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,1,0,0,0,1|1,0,0]=3 2979 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,1,0,0,0,1|0,0,0]=2 2980 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,1,0,0,0,1|0,0,0]=2 2981 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,1,0,0,0,1|0,0,0]=2 2982 B10R0.78 CCOCC(=O)NCC(F)F 11a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 2983 B10R0.78 CCOCC(=O)NCC(F)F 1626a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 2984 B10R0.78 CCOCC(=O)NCC(F)F 240690a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 2985 B10R0.78 CCOCC(=O)NCC(F)F 527a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 2986 B10R0.78 CCOCC(=O)NNC(C)C 22a_100000741168_100000211967 [0,1,0,0,0,1|2,0,0]=4 2987 B10R0.78 CCOCC(C)OCC(C)O 34a_100000718985_100011218427 [0,1,0,0,0,1|1,0,1]=4 2988 B10R0.78 CCOCC(C)OCC(C)O 7a_100000718985_100011218427 [0,1,0,0,0,1|1,0,1]=4 2989 B10R0.78 CCOCC(C)OC[C@@H](C)O 34a_100000718985_100009817552 [0,1,0,0,0,1|1,0,1]=4 2990 B10R0.78 CCOCC(C)OC[C@@H](C)O 7a_100000718985_100009817552 [0,1,0,0,0,1|1,0,1]=4 2991 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,1,0,0,0,1|1,1,0]=4 2992 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,1,0,0,0,1|0,1,0]=3 2993 B10R0.78 CCSCC(=O)NCC(C)C 11a_100000210953_100000230394 [0,1,0,0,0,1|1,1,0]=4 2994 B10R0.78 CCSCC(=O)NCC(C)C 1626a_100000210953_100000230394 [0,1,0,0,0,1|1,1,0]=4 2995 B10R0.78 CCSCC(=O)NCC(C)C 240690a_100000210953_100000230394 [0,1,0,0,0,1|1,1,0]=4 2996 B10R0.78 CCSCC(=O)NCC(C)C 527a_100000210953_100000230394 [0,1,0,0,0,1|1,1,0]=4 2997 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000183291_100000210202 [0,1,0,0,0,1|1,1,0]=4 2998 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000210202_100000183291 [0,1,0,0,0,1|1,1,0]=4 2999 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [0,1,0,0,0,1|0,1,0]=3 3000 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [0,1,0,0,0,1|0,1,0]=3 3001 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [0,1,0,0,0,1|0,1,0]=3 3002 B10R0.78 COC=CC(=O)CCC(C)O 1458a_100016268678_100012276601 [0,1,0,0,0,1|1,0,1]=4 3003 B10R0.78 COC=CC(=O)NCC(C)O 240690a_100000210904_100016268678 [0,1,0,0,0,1|1,0,1]=4 3004 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,1,0,0,0,1|2,0,0]=4 3005 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,1,0,0,0,1|2,0,0]=4 3006 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,1,0,0,0,1|1,0,0]=3 3007 B10R0.78 COCCC(=O)COC(C)C 1458a_100000745533_100000233755 [0,1,0,0,0,1|2,0,0]=4 3008 B10R0.78 COCCC(=O)CSC(C)C 1458a_100000241585_100000233755 [0,1,0,0,0,1|2,0,0]=4 3009 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [0,1,0,0,0,1|2,0,0]=4 3010 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [0,1,0,0,0,1|2,0,0]=4 3011 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [0,1,0,0,0,1|2,0,0]=4 3012 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [0,1,0,0,0,1|2,0,0]=4 3013 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,1,0,0,0,1|1,0,0]=3 3014 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,1,0,0,0,1|1,0,0]=3 3015 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,1,0,0,0,1|1,0,0]=3 3016 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,1,0,0,0,1|2,0,0]=4 3017 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,1,0,0,0,1|2,0,0]=4 3018 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,1,0,0,0,1|1,0,0]=3 3019 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,1,0,0,0,1|2,0,0]=4 3020 B10R0.78 CSCCC(=O)CSC(C)C 1458a_100000241585_100000751147 [0,1,0,0,0,1|2,0,0]=4 3021 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [0,1,0,0,0,1|2,0,0]=4 3022 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [0,1,0,0,0,1|2,0,0]=4 3023 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [0,1,0,0,0,1|2,0,0]=4 3024 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [0,1,0,0,0,1|2,0,0]=4 3025 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,1,0,0,0,1|1,0,0]=3 3026 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,1,0,0,0,1|1,0,0]=3 3027 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,1,0,0,0,1|1,0,0]=3 3028 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,1,0,0,0,1|1,0,1]=4 3029 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,1,0,0,0,1|1,0,1]=4 3030 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,1,0,0,0,1|1,0,1]=4 3031 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,1,0,0,0,1|1,0,1]=4 3032 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,1,0,0,0,1|1,0,1]=4 3033 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 11a_100000210904_200042562850 [0,1,0,0,0,1|1,0,1]=4 3034 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 240690a_100000210904_200042562850 [0,1,0,0,0,1|1,0,1]=4 3035 B10R0.96 CC(=CC(=O)NCC(C)O)I 11a_100000210904_100025716642 [0,1,0,0,0,1|1,0,1]=4 3036 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,1|0,0,2]=4 3037 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,1|0,0,2]=4 3038 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,1|1,0,0]=3 3039 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,1,0,0,0,1|2,0,0]=4 3040 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,1,0,0,0,1|2,0,0]=4 3041 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 3042 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 3043 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 3044 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,0,1|2,0,0]=4 3045 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,0,1|2,0,0]=4 3046 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,1|2,0,0]=4 3047 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,1|2,0,0]=4 3048 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,0,1|2,0,0]=4 3049 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,0,1|2,0,0]=4 3050 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,0,1|2,0,0]=4 3051 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,0,1|2,0,0]=4 3052 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3053 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3054 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3055 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3056 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,1,0,0,0,1|2,0,0]=4 3057 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,1,0,0,0,1|2,0,0]=4 3058 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,1,0,0,0,1|2,0,0]=4 3059 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,1,0,0,0,1|2,0,0]=4 3060 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,1,0,0,0,1|2,0,0]=4 3061 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,1,0,0,0,1|2,0,0]=4 3062 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [0,1,0,0,0,1|2,0,0]=4 3063 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [0,1,0,0,0,1|2,0,0]=4 3064 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [0,1,0,0,0,1|2,0,0]=4 3065 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [0,1,0,0,0,1|2,0,0]=4 3066 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [0,1,0,0,0,1|2,0,0]=4 3067 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [0,1,0,0,0,1|2,0,0]=4 3068 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [0,1,0,0,0,1|2,0,0]=4 3069 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [0,1,0,0,0,1|2,0,0]=4 3070 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [0,1,0,0,0,1|2,0,0]=4 3071 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [0,1,0,0,0,1|2,0,0]=4 3072 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [0,1,0,0,0,1|2,0,0]=4 3073 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [0,1,0,0,0,1|2,0,0]=4 3074 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [0,1,0,0,0,1|2,0,0]=4 3075 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [0,1,0,0,0,1|2,0,0]=4 3076 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,1,0,0,0,1|1,0,0]=3 3077 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,1,0,0,0,1|1,0,0]=3 3078 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,1,0,0,0,1|2,0,0]=4 3079 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,1,0,0,0,1|2,0,0]=4 3080 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,1,0,0,0,1|1,0,0]=3 3081 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,1,0,0,0,1|1,0,0]=3 3082 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,1,0,0,0,1|2,0,0]=4 3083 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,1,0,0,0,1|1,0,0]=3 3084 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,1,0,0,0,1|2,0,0]=4 3085 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,1,0,0,0,1|2,0,0]=4 3086 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,1,0,0,0,1|2,0,0]=4 3087 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,1|1,0,0]=3 3088 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,1,0,0,0,1|2,0,0]=4 3089 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,1|1,0,0]=3 3090 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3091 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3092 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3093 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,1,0,0,0,1|1,0,0]=3 3094 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3095 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3096 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3097 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 3098 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 3099 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,1,0,0,0,1|1,0,0]=3 3100 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 3101 B10R0.105 CCCS(=O)(=O)NCC(C)O 270084a_100000210904_100000211391 [0,1,0,0,0,1|2,0,0]=4 3102 B10R0.105 CCCS(=O)(=O)NCC(C)O 274078a_100000210904_100000211391 [0,1,0,0,0,1|2,0,0]=4 3103 B10R0.105 CCCS(=O)(=O)NCC(C)O 40a_100000210904_100000054278 [0,1,0,0,0,1|2,0,0]=4 3104 B10R0.108 C#CC(C)NCC(=O)CCC 2230a_100000707721_100000747444 [0,1,0,0,0,1|2,0,0]=4 3105 B10R0.108 C#CC(C)NCC(=O)NCC 2230a_100000707721_100000183381 [0,1,0,0,0,1|2,0,0]=4 3106 B10R0.108 C#CC(C)NCC(=O)NCC 34a_100000707721_100000183381 [0,1,0,0,0,1|2,0,0]=4 3107 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,1,0,0,0,1|1,0,0]=3 3108 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,1,0,0,0,1|1,0,0]=3 3109 B10R0.108 C#CC(C)SCC(=O)CCC 62a_200000035995_100000747444 [0,1,0,0,0,1|2,0,0]=4 3110 B10R0.108 C#CC(C)SCC(=O)NCC 62a_200000035995_100000183381 [0,1,0,0,0,1|2,0,0]=4 3111 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,1,0,0,0,1|1,0,0]=3 3112 B10R0.108 C#C[C@@H](C)OCC(=O)CCC 7a_100009815206_100000747444 [0,1,0,0,0,1|2,0,0]=4 3113 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 34a_100009815206_100000183381 [0,1,0,0,0,1|2,0,0]=4 3114 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 7a_100009815206_100000183381 [0,1,0,0,0,1|2,0,0]=4 3115 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,1,0,0,0,1|1,0,0]=3 3116 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,1,0,0,0,1|1,0,0]=3 3117 B10R0.108 C=CC(C)OCC(=O)NCC 34a_100000695699_100000183381 [0,1,0,0,0,1|2,0,0]=4 3118 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,1,0,0,0,1|1,0,0]=3 3119 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,1,0,0,0,1|2,0,0]=4 3120 B10R0.108 C=CC(C)SCC(=O)NCC 62a_100011215867_100000183381 [0,1,0,0,0,1|2,0,0]=4 3121 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,1,0,0,0,1|1,0,0]=3 3122 B10R0.108 C=COC(=O)CN[C@H](C)CO 2230a_100000737577_100000036128 [0,1,0,0,0,1|0,0,2]=4 3123 B10R0.108 C=COC(=O)CSC(C)CO 62a_100012180447_100000036128 [0,1,0,0,0,1|0,0,2]=4 3124 B10R0.108 C=COC(=O)CSC(C)OC 62a_100000036128_100009879195 [0,1,0,0,0,1|0,0,2]=4 3125 B10R0.108 C=COC(=O)CSC(C)OC 62a_100009879195_100000036128 [0,1,0,0,0,1|0,0,2]=4 3126 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100000036128_100016084084 [0,1,0,0,0,1|0,0,2]=4 3127 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100016084084_100000036128 [0,1,0,0,0,1|0,0,2]=4 3128 B10R0.108 CC(CO)CNC(=O)CCO 240690a_100000744482_100011216618 [0,1,0,0,0,1|2,0,0]=4 3129 B10R0.108 CC(CO)SCC(=O)NCO 62a_100012180447_100000185155 [0,1,0,0,0,1|2,0,0]=4 3130 B10R0.108 CC=CC(=O)NCC(C)CO 240690a_100000744482_100000210699 [0,1,0,0,0,1|1,0,1]=4 3131 B10R0.108 CC=CC(=O)NCC(O)CC 11a_100011218483_100000210699 [0,1,0,0,0,1|1,0,1]=4 3132 B10R0.108 CC=CC(=O)NCC(O)CC 240690a_100011218483_100000210699 [0,1,0,0,0,1|1,0,1]=4 3133 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000210699 [0,1,0,0,0,1|1,0,1]=4 3134 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210699 [0,1,0,0,0,1|1,0,1]=4 3135 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210699 [0,1,0,0,0,1|1,0,1]=4 3136 B10R0.108 CC=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000210699 [0,1,0,0,0,1|1,0,1]=4 3137 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,1,0,0,0,1|2,0,0]=4 3138 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,1,0,0,0,1|2,0,0]=4 3139 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,1,0,0,0,1|2,0,0]=4 3140 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,1,0,0,0,1|2,0,0]=4 3141 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,1,0,0,0,1|2,0,0]=4 3142 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,1,0,0,0,1|2,0,0]=4 3143 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,1,0,0,0,1|2,0,0]=4 3144 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,1,0,0,0,1|2,0,0]=4 3145 B10R0.108 CCC(O)CNC(=O)NNC 273464a_100011218483_100016993582 [0,1,0,0,0,1|2,0,0]=4 3146 B10R0.108 CCC(O)CNC(=O)NNC 512a_100011218483_100016993582 [0,1,0,0,0,1|2,0,0]=4 3147 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,1|2,0,0]=4 3148 B10R0.108 CCCC(=O)CNC(C)C#N 2230a_100000737613_100000747444 [0,1,0,0,0,1|2,0,0]=4 3149 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,1,0,0,0,1|2,0,0]=4 3150 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,1,0,0,0,1|1,0,0]=3 3151 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,1,0,0,0,1|2,0,0]=4 3152 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,1,0,0,0,1|2,0,0]=4 3153 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000703298_100000747444 [0,1,0,0,0,1|2,0,0]=4 3154 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000747444_100000703298 [0,1,0,0,0,1|2,0,0]=4 3155 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,1,0,0,0,1|2,0,0]=4 3156 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,1,0,0,0,1|2,0,0]=4 3157 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,1,0,0,0,1|1,0,0]=3 3158 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,1,0,0,0,1|1,0,0]=3 3159 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,1,0,0,0,1|1,0,0]=3 3160 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,1,0,0,0,1|1,0,0]=3 3161 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,1,0,0,0,1|1,0,0]=3 3162 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,1,0,0,0,1|2,0,0]=4 3163 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,1,0,0,0,1|2,0,0]=4 3164 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,1,0,0,0,1|2,0,0]=4 3165 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,1,0,0,0,1|2,0,0]=4 3166 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,1,0,0,0,1|1,0,0]=3 3167 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,1,0,0,0,1|1,0,0]=3 3168 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,1,0,0,0,1|1,0,0]=3 3169 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,1,0,0,0,1|1,0,0]=3 3170 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,1,0,0,0,1|1,0,0]=3 3171 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 3172 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 3173 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 3174 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 3175 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,1,0,0,0,1|2,0,0]=4 3176 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,1,0,0,0,1|2,0,0]=4 3177 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,1,0,0,0,1|1,0,0]=3 3178 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,1,0,0,0,1|1,0,0]=3 3179 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,0,0,0,1|2,0,0]=4 3180 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,0,0,0,1|2,0,0]=4 3181 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,0,0,0,1|2,0,0]=4 3182 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,1|1,0,0]=3 3183 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100000737613_100000183381 [0,1,0,0,0,1|2,0,0]=4 3184 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100016988866_100000184139 [0,1,0,0,0,1|2,0,0]=4 3185 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,1,0,0,0,1|2,0,0]=4 3186 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,1,0,0,0,1|2,0,0]=4 3187 B10R0.108 CCNC(=O)CNC(C)CO 2230a_100016988866_100012180447 [0,1,0,0,0,1|1,0,0]=3 3188 B10R0.108 CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183381 [0,1,0,0,0,1|1,0,0]=3 3189 B10R0.108 CCNC(=O)COC(C)C#N 34a_100011218135_100000183381 [0,1,0,0,0,1|2,0,0]=4 3190 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,1,0,0,0,1|2,0,0]=4 3191 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,1,0,0,0,1|2,0,0]=4 3192 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,1,0,0,0,1|2,0,0]=4 3193 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,1,0,0,0,1|2,0,0]=4 3194 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000183381_100000703298 [0,1,0,0,0,1|2,0,0]=4 3195 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000703298_100000183381 [0,1,0,0,0,1|2,0,0]=4 3196 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,1,0,0,0,1|2,0,0]=4 3197 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,1,0,0,0,1|2,0,0]=4 3198 B10R0.108 CCNC(=O)CSC(C)CO 62a_100012180447_100000183381 [0,1,0,0,0,1|1,0,0]=3 3199 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,1,0,0,0,1|1,0,0]=3 3200 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,1,0,0,0,1|1,0,0]=3 3201 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100000183381_100016084084 [0,1,0,0,0,1|1,0,0]=3 3202 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183381 [0,1,0,0,0,1|1,0,0]=3 3203 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,1,0,0,0,1|2,0,0]=4 3204 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,1,0,0,0,1|2,0,0]=4 3205 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,1,0,0,0,1|2,0,0]=4 3206 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,1,0,0,0,1|2,0,0]=4 3207 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,1,0,0,0,1|2,0,0]=4 3208 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,1,0,0,0,1|2,0,0]=4 3209 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,1,0,0,0,1|1,0,0]=3 3210 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,1,0,0,0,1|1,0,0]=3 3211 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,1,0,0,0,1|1,0,0]=3 3212 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,1,0,0,0,1|1,0,0]=3 3213 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,1,0,0,0,1|1,0,0]=3 3214 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,1,0,0,0,1|1,0,0]=3 3215 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,1,0,0,0,1|1,0,0]=3 3216 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,1,0,0,0,1|1,0,0]=3 3217 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,1,0,0,0,1|1,0,0]=3 3218 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,1,0,0,0,1|1,0,0]=3 3219 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,1,0,0,0,1|1,0,0]=3 3220 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,1,0,0,0,1|1,0,0]=3 3221 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,1,0,0,0,1|1,0,0]=3 3222 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,1,0,0,0,1|1,0,0]=3 3223 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,1,0,0,0,1|1,0,0]=3 3224 B10R0.108 CCNC(=O)NC[C@@H](F)CO 2708a_100015525214_100015665980 [0,1,0,0,0,1|2,0,0]=4 3225 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015525214_100015665980 [0,1,0,0,0,1|2,0,0]=4 3226 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100015525214 [0,1,0,0,0,1|2,0,0]=4 3227 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015525214_100015665980 [0,1,0,0,0,1|2,0,0]=4 3228 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100015525214 [0,1,0,0,0,1|2,0,0]=4 3229 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,1,0,0,0,1|1,0,0]=3 3230 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,1,0,0,0,1|1,0,0]=3 3231 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,1,0,0,0,1|1,0,0]=3 3232 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,1|0,0,2]=4 3233 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,1|0,0,2]=4 3234 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,1|0,0,2]=4 3235 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,1|0,0,2]=4 3236 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,1|0,0,2]=4 3237 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,1|1,0,0]=3 3238 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,1|1,0,0]=3 3239 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,1|1,0,0]=3 3240 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,1|0,0,0]=2 3241 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,1|0,1,0]=3 3242 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,1|0,1,0]=3 3243 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,1|0,1,0]=3 3244 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,1|0,1,0]=3 3245 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,1|2,0,0]=4 3246 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,1|2,0,0]=4 3247 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,1|2,0,0]=4 3248 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,1|2,0,0]=4 3249 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,1|2,0,0]=4 3250 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,1|2,0,0]=4 3251 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,1|2,0,0]=4 3252 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,1|2,0,0]=4 3253 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,1|2,0,0]=4 3254 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,1|0,0,2]=4 3255 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,1|0,0,2]=4 3256 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,1,0,0,0,1|1,0,0]=3 3257 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,1|1,0,0]=3 3258 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,1|0,0,0]=2 3259 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,1,0,0,0,1|1,0,0]=3 3260 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,1|1,0,0]=3 3261 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,1|1,0,0]=3 3262 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,1|1,0,0]=3 3263 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,1|1,0,0]=3 3264 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,1,0,0,0,1|1,0,0]=3 3265 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,1,0,0,0,1|1,0,0]=3 3266 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,1|1,0,0]=3 3267 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,1|1,0,0]=3 3268 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,1|0,0,0]=2 3269 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,1|0,0,0]=2 3270 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,1|0,0,0]=2 3271 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,1,0,0,0,1|1,0,1]=4 3272 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,1,0,0,0,1|1,0,1]=4 3273 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,1|0,0,0]=2 3274 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,1|0,0,0]=2 3275 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,1|0,0,2]=4 3276 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,1|0,0,2]=4 3277 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,1|0,0,2]=4 3278 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,1|0,0,2]=4 3279 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,1|0,0,2]=4 3280 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,1|0,0,2]=4 3281 B10R0.108 CNCC(=O)NCC(O)CO 2230a_106832991635_200012027429 [0,1,0,0,0,1|2,0,0]=4 3282 B10R0.108 CNCC(=O)NCC(O)CO 34a_100102657272_200012027429 [0,1,0,0,0,1|2,0,0]=4 3283 B10R0.108 CNCC(=O)NCC(O)CO 7a_106832991635_200012027429 [0,1,0,0,0,1|2,0,0]=4 3284 B10R0.108 CNNC(=O)NCC(C)CO 273464a_100000744482_100016993582 [0,1,0,0,0,1|2,0,0]=4 3285 B10R0.108 CNNC(=O)NCC(C)CO 512a_100000744482_100016993582 [0,1,0,0,0,1|2,0,0]=4 3286 B10R0.108 CNNC(=O)NCC(C)CO 512a_100016993582_100000744482 [0,1,0,0,0,1|2,0,0]=4 3287 B10R0.108 CNNC(=O)NC[C@@H](C)OC 273464a_100020591295_100016993582 [0,1,0,0,0,1|2,0,0]=4 3288 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100016993582_100020591295 [0,1,0,0,0,1|2,0,0]=4 3289 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100020591295_100016993582 [0,1,0,0,0,1|2,0,0]=4 3290 B10R0.108 CNNC(=O)NC[C@H](O)CO 273464a_100020644852_100016993582 [0,1,0,0,0,1|2,0,0]=4 3291 B10R0.108 COC(C)SCC(=O)NCO 62a_100000185155_100009879195 [0,1,0,0,0,1|2,0,0]=4 3292 B10R0.108 COC(C)SCC(=O)NCO 62a_100009879195_100000185155 [0,1,0,0,0,1|2,0,0]=4 3293 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [0,1,0,0,0,1|2,0,0]=4 3294 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [0,1,0,0,0,1|2,0,0]=4 3295 B10R0.108 COCC(=O)NCC(O)CO 34a_100138415774_200012027429 [0,1,0,0,0,1|2,0,0]=4 3296 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 3297 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 3298 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 3299 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 3300 B10R0.108 COCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210968 [0,1,0,0,0,1|2,0,0]=4 3301 B10R0.108 COCC(=O)NC[C@H](O)CO 527a_100020644852_100000210968 [0,1,0,0,0,1|2,0,0]=4 3302 B10R0.108 CO[C@H](C)CNC(=O)CCO 240690a_100020591295_100011216618 [0,1,0,0,0,1|2,0,0]=4 3303 B10R0.108 CO[C@H](C)CNC(=O)CSC 11a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 3304 B10R0.108 CO[C@H](C)CNC(=O)CSC 1626a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 3305 B10R0.108 CO[C@H](C)CNC(=O)CSC 240690a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 3306 B10R0.108 CO[C@H](C)CNC(=O)CSC 527a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 3307 B10R0.108 CSCC(=O)NCC(C)CO 240690a_100000744482_100000184570 [0,1,0,0,0,1|2,0,0]=4 3308 B10R0.108 CSCC(=O)NCC(C)CO 527a_100000744482_100000184570 [0,1,0,0,0,1|2,0,0]=4 3309 B10R0.108 CSCC(=O)NCC(O)CO 62a_200000210301_200012027429 [0,1,0,0,0,1|2,0,0]=4 3310 B10R0.108 CSCC(=O)NCC(O)CO 62a_200012027429_200000210301 [0,1,0,0,0,1|2,0,0]=4 3311 B10R0.108 CSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000184570 [0,1,0,0,0,1|2,0,0]=4 3312 B10R0.108 CSCC(=O)NC[C@H](O)CO 527a_100020644852_100000184570 [0,1,0,0,0,1|2,0,0]=4 3313 B10R0.108 C[C@H](CO)NCC(=O)NCO 2230a_100000737577_100000185155 [0,1,0,0,0,1|2,0,0]=4 3314 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100000185155_100016084084 [0,1,0,0,0,1|2,0,0]=4 3315 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100016084084_100000185155 [0,1,0,0,0,1|2,0,0]=4 3316 B10R0.108 O=C(CCO)NC[C@H](O)CO 240690a_100020644852_100011216618 [0,1,0,0,0,1|2,0,0]=4 3317 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200012027429_200025704644 [0,1,0,0,0,1|2,0,0]=4 3318 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200025704644_200012027429 [0,1,0,0,0,1|2,0,0]=4 3319 B10R0.109 CC(C)(O)CNC(=O)CCO 240690a_100000751335_100011216618 [0,1,0,0,0,1|2,0,0]=4 3320 B10R0.109 CC=CC(=O)NCC(C)(C)O 1626a_100000751335_100000210699 [0,1,0,0,0,1|1,0,1]=4 3321 B10R0.109 CC=CC(=O)NCC(C)(C)O 240690a_100000751335_100000210699 [0,1,0,0,0,1|1,0,1]=4 3322 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,1,0,0,0,1|2,0,0]=4 3323 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,1,0,0,0,1|2,0,0]=4 3324 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,1,0,0,0,1|2,0,0]=4 3325 B10R0.109 CCCC(=O)CNC(C)(C)C 2230a_100000715429_100000747444 [0,1,0,0,0,1|2,0,0]=4 3326 B10R0.109 CCCC(=O)COC(C)(C)C 1458a_100000686494_100000210303 [0,1,0,0,0,1|2,0,0]=4 3327 B10R0.109 CCCC(=O)COC(C)(C)C 7a_100015890283_100000747444 [0,1,0,0,0,1|2,0,0]=4 3328 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000211941_100000747444 [0,1,0,0,0,1|2,0,0]=4 3329 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000747444_100000211941 [0,1,0,0,0,1|2,0,0]=4 3330 B10R0.109 CCCC(=O)NCC(C)(C)C 11a_100000743828_100000211992 [0,1,0,0,0,1|2,0,0]=4 3331 B10R0.109 CCCC(=O)NCC(C)(C)C 1626a_100000743828_100000211992 [0,1,0,0,0,1|2,0,0]=4 3332 B10R0.109 CCCC(=O)NCC(C)(C)C 240690a_100000743828_100000211992 [0,1,0,0,0,1|2,0,0]=4 3333 B10R0.109 CCCC(=O)NCC(C)(C)C 527a_100000743828_100000211992 [0,1,0,0,0,1|2,0,0]=4 3334 B10R0.109 CCCC(=O)NCC(C)(C)F 11a_100020643315_100000211992 [0,1,0,0,0,1|2,0,0]=4 3335 B10R0.109 CCCC(=O)NCC(C)(C)F 1626a_100020643315_100000211992 [0,1,0,0,0,1|2,0,0]=4 3336 B10R0.109 CCCC(=O)NCC(C)(C)F 240690a_100020643315_100000211992 [0,1,0,0,0,1|2,0,0]=4 3337 B10R0.109 CCCC(=O)NCC(C)(C)F 527a_100020643315_100000211992 [0,1,0,0,0,1|2,0,0]=4 3338 B10R0.109 CCCC(=O)NCC(C)(C)O 1626a_100000751335_100000211992 [0,1,0,0,0,1|1,0,0]=3 3339 B10R0.109 CCCC(=O)NCC(C)(C)O 240690a_100000751335_100000211992 [0,1,0,0,0,1|1,0,0]=3 3340 B10R0.109 CCCC(=O)NCC(C)(C)O 527a_100000751335_100000211992 [0,1,0,0,0,1|1,0,0]=3 3341 B10R0.109 CCCC(=O)NCC(C)(F)F 11a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 3342 B10R0.109 CCCC(=O)NCC(C)(F)F 1626a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 3343 B10R0.109 CCCC(=O)NCC(C)(F)F 240690a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 3344 B10R0.109 CCCC(=O)NCC(C)(F)F 527a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 3345 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,1,0,0,0,1|2,0,0]=4 3346 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,1,0,0,0,1|2,0,0]=4 3347 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,1,0,0,0,1|2,0,0]=4 3348 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,1,0,0,0,1|2,0,0]=4 3349 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,1,0,0,0,1|2,0,0]=4 3350 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,1,0,0,0,1|2,0,0]=4 3351 B10R0.109 CCNC(=O)CNC(C)(C)C 2230a_100000715429_100000183381 [0,1,0,0,0,1|2,0,0]=4 3352 B10R0.109 CCNC(=O)COC(C)(C)C 11a_100015525214_100000686494 [0,1,0,0,0,1|2,0,0]=4 3353 B10R0.109 CCNC(=O)COC(C)(C)C 240690a_100015525214_100000686494 [0,1,0,0,0,1|2,0,0]=4 3354 B10R0.109 CCNC(=O)COC(C)(C)C 34a_100015890283_100000183381 [0,1,0,0,0,1|2,0,0]=4 3355 B10R0.109 CCNC(=O)COC(C)(C)C 527a_100015525214_100000686494 [0,1,0,0,0,1|2,0,0]=4 3356 B10R0.109 CCNC(=O)COC(C)(C)C 7a_100015890283_100000183381 [0,1,0,0,0,1|2,0,0]=4 3357 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000183381_100000211941 [0,1,0,0,0,1|2,0,0]=4 3358 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000211941_100000183381 [0,1,0,0,0,1|2,0,0]=4 3359 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100000743828_100015525214 [0,1,0,0,0,1|2,0,0]=4 3360 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100015525214_100000743828 [0,1,0,0,0,1|2,0,0]=4 3361 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100000743828_100015525214 [0,1,0,0,0,1|2,0,0]=4 3362 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100015525214_100000743828 [0,1,0,0,0,1|2,0,0]=4 3363 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100000743828_100015525214 [0,1,0,0,0,1|2,0,0]=4 3364 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100015525214_100000743828 [0,1,0,0,0,1|2,0,0]=4 3365 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100015525214_100020643315 [0,1,0,0,0,1|2,0,0]=4 3366 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100020643315_100015525214 [0,1,0,0,0,1|2,0,0]=4 3367 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100015525214_100020643315 [0,1,0,0,0,1|2,0,0]=4 3368 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100020643315_100015525214 [0,1,0,0,0,1|2,0,0]=4 3369 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100015525214_100020643315 [0,1,0,0,0,1|2,0,0]=4 3370 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100020643315_100015525214 [0,1,0,0,0,1|2,0,0]=4 3371 B10R0.109 CCNC(=O)NCC(C)(C)O 2708a_100015525214_100000751335 [0,1,0,0,0,1|1,0,0]=3 3372 B10R0.109 CCNC(=O)NCC(C)(C)O 273464a_100015525214_100000751335 [0,1,0,0,0,1|1,0,0]=3 3373 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100000751335_100015525214 [0,1,0,0,0,1|1,0,0]=3 3374 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100015525214_100000751335 [0,1,0,0,0,1|1,0,0]=3 3375 B10R0.109 CCNC(=O)NCC(C)(F)F 2708a_100015525214_100000731000 [0,1,0,0,0,1|2,0,0]=4 3376 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100000731000_100015525214 [0,1,0,0,0,1|2,0,0]=4 3377 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100015525214_100000731000 [0,1,0,0,0,1|2,0,0]=4 3378 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100000731000_100015525214 [0,1,0,0,0,1|2,0,0]=4 3379 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100015525214_100000731000 [0,1,0,0,0,1|2,0,0]=4 3380 B10R0.109 CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000188475 [0,1,0,0,0,1|1,0,0]=3 3381 B10R0.109 CCOC(=O)COC(C)(C)C 34a_100015890283_100000188475 [0,1,0,0,0,1|1,0,0]=3 3382 B10R0.109 CCOC(=O)COC(C)(C)C 7a_100015890283_100000188475 [0,1,0,0,0,1|1,0,0]=3 3383 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000188475_100000211941 [0,1,0,0,0,1|1,0,0]=3 3384 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000211941_100000188475 [0,1,0,0,0,1|1,0,0]=3 3385 B10R0.109 CCOC(=O)CSC(F)(F)F 62a_100000188475_200103152311 [0,1,0,0,0,1|2,0,0]=4 3386 B10R0.109 CCOC(=O)CSC(F)(F)F 62a_200000243211_100000188475 [0,1,0,0,0,1|2,0,0]=4 3387 B10R0.109 CNNC(=O)NCC(C)(C)O 512a_100000751335_100016993582 [0,1,0,0,0,1|2,0,0]=4 3388 B10R0.109 CNNC(=O)NCC(C)(C)O 512a_100016993582_100000751335 [0,1,0,0,0,1|2,0,0]=4 3389 B10R0.109 COCC(=O)NCC(C)(C)O 1626a_100000751335_100000210968 [0,1,0,0,0,1|2,0,0]=4 3390 B10R0.109 COCC(=O)NCC(C)(C)O 240690a_100000751335_100000210968 [0,1,0,0,0,1|2,0,0]=4 3391 B10R0.109 COCC(=O)NCC(C)(C)O 527a_100000751335_100000210968 [0,1,0,0,0,1|2,0,0]=4 3392 B10R0.109 CSCC(=O)NCC(C)(C)O 1626a_100000751335_100000184570 [0,1,0,0,0,1|2,0,0]=4 3393 B10R0.109 CSCC(=O)NCC(C)(C)O 240690a_100000751335_100000184570 [0,1,0,0,0,1|2,0,0]=4 3394 B10R0.109 CSCC(=O)NCC(C)(C)O 527a_100000751335_100000184570 [0,1,0,0,0,1|2,0,0]=4 3395 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,2,0,0,0,0|2,0,0]=4 3396 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,2,0,0,0,0|1,0,0]=3 3398 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,2,0,0,0,0|1,0,0]=3 3399 B10R0.6 C#CCCNC(=O)CC(C)C 11a_100000755551_100000210554 [0,2,0,0,0,0|2,0,0]=4 3400 B10R0.6 C#CCCNC(=O)CC(C)C 1626a_100000755551_100000210554 [0,2,0,0,0,0|2,0,0]=4 3401 B10R0.6 C#CCCNC(=O)CC(C)C 240690a_100000755551_100000210554 [0,2,0,0,0,0|2,0,0]=4 3402 B10R0.6 C#CCCNC(=O)CC(C)C 527a_100000755551_100000210554 [0,2,0,0,0,0|2,0,0]=4 3403 B10R0.6 C#CCCNC(=O)C[C@@H](C)O 240690a_100000755551_100011933948 [0,2,0,0,0,0|1,0,0]=3 3404 B10R0.6 C#CCOCC(=O)CC(C)C 1458a_100011251226_100000210624 [0,2,0,0,0,0|1,0,1]=4 3405 B10R0.6 C#CCOCC(=O)CC(C)O 1458a_100011251226_100011218427 [0,2,0,0,0,0|0,0,1]=3 3406 B10R0.6 C/C=C/C=CC(=O)CC(C)O 1458a_100000185730_100011218427 [0,2,0,0,0,0|1,0,1]=4 3407 B10R0.6 C=C(C)CC(=O)C=COCC 1458a_100016266692_100000748629 [0,2,0,0,0,0|1,0,1]=4 3408 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|1,0,1]=4 3409 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|1,0,1]=4 3410 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,2,0,0,0,0|1,0,1]=4 3411 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,2,0,0,0,0|2,0,0]=4 3412 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,2,0,0,0,0|2,0,0]=4 3413 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,2,0,0,0,0|1,0,0]=3 3414 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,2,0,0,0,0|1,0,0]=3 3415 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,2,0,0,0,0|2,0,0]=4 3416 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,2,0,0,0,0|2,0,0]=4 3417 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,2,0,0,0,0|2,0,0]=4 3418 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,2,0,0,0,0|2,0,0]=4 3419 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,2,0,0,0,0|1,0,0]=3 3420 B10R0.6 C=CCNNC(=O)C[C@@H](C)O 22a_100020588587_100011933948 [0,2,0,0,0,0|1,0,1]=4 3421 B10R0.6 C=CCSCC(=O)CC(C)O 1458a_100000230395_100011218427 [0,2,0,0,0,0|0,1,1]=4 3422 B10R0.6 C=COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000039644 [0,2,0,0,0,0|0,0,2]=4 3423 B10R0.6 CC#CCNC(=O)CC(C)C 11a_100000685387_100000210554 [0,2,0,0,0,0|2,0,0]=4 3424 B10R0.6 CC#CCNC(=O)CC(C)C 1626a_100000685387_100000210554 [0,2,0,0,0,0|2,0,0]=4 3425 B10R0.6 CC#CCNC(=O)CC(C)C 527a_100000685387_100000210554 [0,2,0,0,0,0|2,0,0]=4 3426 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|0,0,2]=4 3427 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|0,0,2]=4 3428 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,2,0,0,0,0|2,0,0]=4 3429 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,2,0,0,0,0|2,0,0]=4 3430 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|2,0,0]=4 3431 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|2,0,0]=4 3432 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|2,0,0]=4 3433 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,2,0,0,0,0|1,0,0]=3 3434 B10R0.6 CC(C)CC(=O)NCCC#N 11a_100000720768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3435 B10R0.6 CC(C)CC(=O)NCCC#N 1626a_100000720768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3436 B10R0.6 CC(C)CC(=O)NCCC#N 240690a_100000720768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3437 B10R0.6 CC(C)CC(=O)NCCC#N 527a_100000720768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3438 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 3439 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 3440 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 3441 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 3442 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,2,0,0,0,0|2,0,0]=4 3443 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,2,0,0,0,0|2,0,0]=4 3444 B10R0.6 CC(C)CC(=O)NNCCO 22a_100000210001_100000210554 [0,2,0,0,0,0|2,0,0]=4 3445 B10R0.6 CC(C)NC(=O)COCCBr 34a_100000211926_100000183996 [0,2,0,0,0,0|2,0,0]=4 3446 B10R0.6 CC(C)NC(=O)COCCN 34a_100000210304_100000183996 [0,2,0,0,0,0|2,0,0]=4 3447 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,2,0,0,0,0|2,0,0]=4 3448 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,2,0,0,0,0|2,0,0]=4 3449 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 3450 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,2,0,0,0,0|2,0,0]=4 3451 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,2,0,0,0,0|2,0,0]=4 3452 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,2,0,0,0,0|2,0,0]=4 3453 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,2,0,0,0,0|1,0,0]=3 3454 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|1,0,0]=3 3455 B10R0.6 CC(O)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011218427 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,2,0,0,0,0|0,0,0]=2 3457 B10R0.6 CC(O)CC(=O)CSCC#N 1458a_100000150266_100011218427 [0,2,0,0,0,0|0,1,1]=4 3458 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,2,0,0,0,0|1,0,0]=3 3460 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,2,0,0,0,0|2,0,0]=4 3461 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,2,0,0,0,0|1,0,0]=3 3462 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,2,0,0,0,0|2,0,0]=4 3463 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,2,0,0,0,0|1,0,0]=3 3464 B10R0.6 CCC=NNC(=O)CC(C)C 4a_100000189787_100000210100 [0,2,0,0,0,0|2,0,0]=4 3465 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,2,0,0,0,0|2,0,0]=4 3466 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,2,0,0,0,0|1,0,0]=3 3467 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,2,0,0,0,0|2,0,0]=4 3468 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,2,0,0,0,0|1,0,0]=3 3469 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|2,0,0]=4 3470 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|2,0,0]=4 3471 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|1,0,0]=3 3472 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|1,0,0]=3 3473 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3474 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3475 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3476 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3477 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|1,0,0]=3 3478 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|0,0,2]=4 3479 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,2,0,0,0,0|2,0,0]=4 3480 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,2,0,0,0,0|2,0,0]=4 3481 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,2,0,0,0,0|2,0,0]=4 3482 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,2,0,0,0,0|1,0,0]=3 3483 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|1,0,0]=3 3484 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|0,0,0]=2 3485 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,2,0,0,0,0|2,0,0]=4 3486 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3487 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3488 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3489 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,2,0,0,0,0|2,0,0]=4 3490 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3491 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|2,0,0]=4 3492 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|1,1,0]=4 3493 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|0,1,0]=3 3494 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,2,0,0,0,0|1,0,0]=3 3495 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,2,0,0,0,0|0,0,0]=2 3496 B10R0.6 CCOC=CC(=O)CC(F)F 1458a_100016266692_100011934356 [0,2,0,0,0,0|2,0,0]=4 3497 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [0,2,0,0,0,0|2,0,0]=4 3498 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [0,2,0,0,0,0|2,0,0]=4 3499 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|1,0,0]=3 3501 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|1,0,0]=3 3502 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|0,0,0]=2 3503 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,2,0,0,0,0|2,0,0]=4 3504 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,2,0,0,0,0|2,0,0]=4 3505 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|0,0,0]=2 3506 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,2,0,0,0,0|2,0,0]=4 3507 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 3508 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 3509 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 3510 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 3511 B10R0.6 CCOCCN(C)CC(C)O 2230a_100000227577_100011215890 [0,2,0,0,0,0|2,0,0]=4 3512 B10R0.6 CCOCCN(C)CC(C)O 269982a_100000227577_100011215890 [0,2,0,0,0,0|2,0,0]=4 3513 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|1,1,0]=4 3514 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|1,1,0]=4 3515 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|0,1,0]=3 3516 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|0,1,0]=3 3517 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,2,0,0,0,0|2,0,0]=4 3518 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,2,0,0,0,0|2,0,0]=4 3519 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|0,0,2]=4 3520 B10R0.6 COCC=CC(=O)CC(C)C 1458a_100016285016_100000210624 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,2,0,0,0,0|1,0,0]=3 3522 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|2,0,0]=4 3523 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|2,0,0]=4 3524 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|1,0,0]=3 3525 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|1,0,0]=3 3526 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,2,0,0,0,0|2,0,0]=4 3528 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,2,0,0,0,0|2,0,0]=4 3529 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,2,0,0,0,0|1,0,0]=3 3530 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|0,0,2]=4 3531 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|0,0,2]=4 3532 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,2,0,0,0,0|2,0,0]=4 3533 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,2,0,0,0,0|2,0,0]=4 3534 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|1,0,0]=3 3536 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 3537 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,2,0,0,0,0|1,0,0]=3 3541 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|0,0,2]=4 3542 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|0,0,2]=4 3543 B10R0.6 C[C@@H](O)CC(=O)CC#CCO 1458a_100011933948_200000047223 [0,2,0,0,0,0|1,0,1]=4 3544 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,2,0,0,0,0|1,0,0]=3 3545 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|1,0,0]=3 3546 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|1,0,0]=3 3547 B10R0.6 C[C@@H](O)CC(=O)NCCC#N 240690a_100000720768_100011933948 [0,2,0,0,0,0|1,0,0]=3 3548 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,2,0,0,0,0|1,0,0]=3 3549 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,2,0,0,0,0|1,0,0]=3 3550 B10R0.6 C[C@@H](O)CC(=O)NNCCO 22a_100000210001_100011933948 [0,2,0,0,0,0|1,0,0]=3 3551 B10R0.6 O=C(COCCO)CC(F)F 1458a_100000708028_100011934356 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.18 C#CC(C)NC(=O)COCC 11a_100000707721_100000211967 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.18 C#CC(C)NC(=O)COCC 1626a_100000707721_100000211967 [0,2,0,0,0,0|2,0,0]=4 3554 B10R0.18 C#CC(C)NC(=O)COCC 240690a_100000707721_100000211967 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.18 C#CC(C)NC(=O)COCC 527a_100000707721_100000211967 [0,2,0,0,0,0|2,0,0]=4 3556 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100000692101_100011218378 [0,2,0,0,0,0|1,0,1]=4 3557 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100011667805_100000753159 [0,2,0,0,0,0|1,0,1]=4 3558 B10R0.18 C#CCCC(=O)C[C@@H](C)CO 1458a_100000692101_100000059175 [0,2,0,0,0,0|1,0,1]=4 3559 B10R0.18 C#CCNC(=O)CC(O)CC 1626a_100000212058_100011667805 [0,2,0,0,0,0|1,0,1]=4 3560 B10R0.18 C#CCNC(=O)CC(O)CC 240690a_100000212058_100011667805 [0,2,0,0,0,0|1,0,1]=4 3561 B10R0.18 C/C=C/CC(=O)CC(O)CC 1458a_100011667805_100102629194 [0,2,0,0,0,0|1,0,1]=4 3562 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|2,0,0]=4 3563 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [0,2,0,0,0,0|2,0,0]=4 3564 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,2,0,0,0,0|2,0,0]=4 3565 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,2,0,0,0,0|2,0,0]=4 3567 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,2,0,0,0,0|2,0,0]=4 3570 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,2,0,0,0,0|2,0,0]=4 3571 B10R0.18 C=CC(C)CC(=O)NCCF 11a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 3572 B10R0.18 C=CC(C)CC(=O)NCCF 1626a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 3573 B10R0.18 C=CC(C)CC(=O)NCCF 240690a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 3574 B10R0.18 C=CC(C)CC(=O)NCCF 527a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 3575 B10R0.18 C=CC(C)CC(=O)NCCO 240690a_100000210304_100011934298 [0,2,0,0,0,0|2,0,0]=4 3576 B10R0.18 C=CC(C)CC(=O)NCCO 527a_100000210304_100011934298 [0,2,0,0,0,0|2,0,0]=4 3577 B10R0.18 C=CC(C)CC(=O)NNCC 22a_100000756455_100011934298 [0,2,0,0,0,0|2,0,0]=4 3578 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [0,2,0,0,0,0|1,0,1]=4 3579 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [0,2,0,0,0,0|1,0,1]=4 3580 B10R0.18 C=CCCC(=O)C[C@@H](C)CO 1458a_100000749702_100000059175 [0,2,0,0,0,0|1,0,1]=4 3581 B10R0.18 C=CCNC(=O)CC(O)CC 1626a_100020586998_100011667805 [0,2,0,0,0,0|1,0,1]=4 3582 B10R0.18 C=CCNC(=O)CC(O)CC 240690a_100020586998_100011667805 [0,2,0,0,0,0|1,0,1]=4 3583 B10R0.18 CC#CCC(=O)CC(O)CC 1458a_100011667805_100000748600 [0,2,0,0,0,0|1,0,1]=4 3584 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100011667805_100000070051 [0,2,0,0,0,0|1,0,1]=4 3585 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100121576822_100011218378 [0,2,0,0,0,0|1,0,1]=4 3586 B10R0.18 CC=CCC(=O)C[C@@H](C)CO 1458a_100121576822_100000059175 [0,2,0,0,0,0|1,0,1]=4 3587 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,2,0,0,0,0|2,0,0]=4 3588 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,2,0,0,0,0|1,0,0]=3 3589 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,2,0,0,0,0|2,0,0]=4 3590 B10R0.18 CCC#CC(=O)C[C@@H](C)CO 1458a_100011827653_100000059175 [0,2,0,0,0,0|1,0,0]=3 3591 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,2,0,0,0,0|2,0,0]=4 3592 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,2,0,0,0,0|2,0,0]=4 3593 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,2,0,0,0,0|2,0,0]=4 3594 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,2,0,0,0,0|2,0,0]=4 3595 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,2,0,0,0,0|2,0,0]=4 3596 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,2,0,0,0,0|2,0,0]=4 3597 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3598 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3599 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3600 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3601 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,2,0,0,0,0|2,0,0]=4 3602 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,2,0,0,0,0|2,0,0]=4 3603 B10R0.18 CCC(O)CC(=O)C#CCO 1458a_100000049017_100011218378 [0,2,0,0,0,0|1,0,1]=4 3604 B10R0.18 CCC(O)CC(=O)C=COC 1458a_100016268678_100011218378 [0,2,0,0,0,0|1,0,1]=4 3605 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011667805_100011215226 [0,2,0,0,0,0|1,0,1]=4 3606 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011934036_100011218378 [0,2,0,0,0,0|1,0,1]=4 3607 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|1,0,0]=3 3608 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|1,0,0]=3 3609 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|1,0,0]=3 3610 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|1,0,0]=3 3611 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,2,0,0,0,0|1,0,0]=3 3612 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,2,0,0,0,0|1,0,0]=3 3613 B10R0.18 CCC(O)CC(=O)NCC#N 1626a_100000734998_100011667805 [0,2,0,0,0,0|1,0,1]=4 3614 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,2,0,0,0,0|1,0,0]=3 3615 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,2,0,0,0,0|1,0,0]=3 3616 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,2,0,0,0,0|1,0,0]=3 3617 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,2,0,0,0,0|2,0,0]=4 3618 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|1,0,0]=3 3619 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,2,0,0,0,0|2,0,0]=4 3620 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,2,0,0,0,0|1,0,0]=3 3621 B10R0.18 CCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212282 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|2,0,0]=4 3623 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|2,0,0]=4 3624 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|1,0,0]=3 3625 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|1,0,0]=3 3626 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|2,0,0]=4 3627 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|1,0,0]=3 3628 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 3629 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 3630 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3632 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3633 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,2,0,0,0,0|1,0,0]=3 3635 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,2,0,0,0,0|1,0,0]=3 3636 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [0,2,0,0,0,0|2,0,0]=4 3637 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [0,2,0,0,0,0|2,0,0]=4 3638 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [0,2,0,0,0,0|2,0,0]=4 3639 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [0,2,0,0,0,0|2,0,0]=4 3640 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|0,0,2]=4 3641 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|0,0,2]=4 3642 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,2,0,0,0,0|2,0,0]=4 3645 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,2,0,0,0,0|1,0,0]=3 3646 B10R0.18 CCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000756455 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000737577_100000756455 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000756455_100000737577 [0,2,0,0,0,0|2,0,0]=4 3649 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|0,0,2]=4 3650 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|0,0,2]=4 3651 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|0,0,2]=4 3652 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|1,0,0]=3 3653 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|0,0,0]=2 3654 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|1,0,0]=3 3655 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|0,0,0]=2 3656 B10R0.18 CCOCC(=O)NC(C)C#N 11a_100000737613_100000211967 [0,2,0,0,0,0|2,0,0]=4 3657 B10R0.18 CCOCC(=O)NC(C)C#N 1626a_100000737613_100000211967 [0,2,0,0,0,0|2,0,0]=4 3658 B10R0.18 CCOCC(=O)NC(C)C#N 527a_100000737613_100000211967 [0,2,0,0,0,0|2,0,0]=4 3659 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3660 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3661 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3662 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [0,2,0,0,0,0|2,0,0]=4 3663 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3664 B10R0.18 CCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 3665 B10R0.18 CCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 3666 B10R0.18 CCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 3667 B10R0.18 CCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 3668 B10R0.18 CCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211967 [0,2,0,0,0,0|1,0,0]=3 3669 B10R0.18 CCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211967 [0,2,0,0,0,0|1,0,0]=3 3670 B10R0.18 CCOCN(C)CC(O)CO 269982a_100011216503_100000739092 [0,2,0,0,0,0|2,0,0]=4 3671 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,2,0,0,0,0|1,1,0]=4 3672 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,2,0,0,0,0|0,1,0]=3 3673 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,2,0,0,0,0|1,1,0]=4 3674 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,2,0,0,0,0|0,1,0]=3 3675 B10R0.18 CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230394 [0,2,0,0,0,0|1,1,0]=4 3676 B10R0.18 CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230394 [0,2,0,0,0,0|1,1,0]=4 3677 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,2,0,0,0,0|2,0,0]=4 3678 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,2,0,0,0,0|2,0,0]=4 3679 B10R0.18 COC=CC(=O)C[C@@H](C)CO 1458a_100016268678_100000059175 [0,2,0,0,0,0|1,0,1]=4 3680 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,2,0,0,0,0|1,0,0]=3 3681 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [0,2,0,0,0,0|2,0,0]=4 3682 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [0,2,0,0,0,0|2,0,0]=4 3683 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,2,0,0,0,0|1,0,0]=3 3684 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,2,0,0,0,0|2,0,0]=4 3685 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,2,0,0,0,0|2,0,0]=4 3686 B10R0.18 C[C@@H](CO)CC(=O)C#CCO 1458a_100000049017_100000059175 [0,2,0,0,0,0|1,0,1]=4 3687 B10R0.18 C[C@@H](CO)CC(=O)CCC#N 1458a_100011934036_100000059175 [0,2,0,0,0,0|1,0,1]=4 3688 B10R0.18 C[C@H](CO)NC(=O)NCCF 273464a_100000737577_100000724931 [0,2,0,0,0,0|2,0,0]=4 3689 B10R0.18 C[C@H](CO)NC(=O)NCCF 512a_100000737577_100000724931 [0,2,0,0,0,0|2,0,0]=4 3690 B10R0.18 C[C@H](CO)NC(=O)NCCO 273464a_100000737577_100000210304 [0,2,0,0,0,0|2,0,0]=4 3691 B10R0.18 C[C@H](CO)NC(=O)NCCO 512a_100000737577_100000210304 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.28 C#CCCC(=O)CC(C)(C)O 1458a_100000693243_100000753159 [0,2,0,0,0,0|1,0,1]=4 3693 B10R0.28 C#CCNC(=O)CC(C)(C)O 527a_100000212058_100000693243 [0,2,0,0,0,0|1,0,1]=4 3694 B10R0.28 C/C=C/CC(=O)CC(C)(C)O 1458a_100000693243_100102629194 [0,2,0,0,0,0|1,0,1]=4 3695 B10R0.28 C=CCCC(=O)CC(C)(C)O 1458a_100000693243_100000754431 [0,2,0,0,0,0|1,0,1]=4 3696 B10R0.28 C=CCNC(=O)CC(C)(C)O 527a_100020586998_100000693243 [0,2,0,0,0,0|1,0,1]=4 3697 B10R0.28 CC#CCC(=O)CC(C)(C)O 1458a_100000693243_100000748600 [0,2,0,0,0,0|1,0,1]=4 3698 B10R0.28 CC(C)(C)CC(=O)CCCF 1458a_100000211214_100011934791 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.28 CC(C)(C)CC(=O)CCCO 1458a_100000211214_100011215043 [0,2,0,0,0,0|2,0,0]=4 3700 B10R0.28 CC(C)(C)CC(=O)NCCF 11a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.28 CC(C)(C)CC(=O)NCCF 1626a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 3702 B10R0.28 CC(C)(C)CC(=O)NCCF 240690a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 3703 B10R0.28 CC(C)(C)CC(=O)NCCF 527a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 3704 B10R0.28 CC(C)(C)CC(=O)NCCO 240690a_100000210304_100000211214 [0,2,0,0,0,0|2,0,0]=4 3705 B10R0.28 CC(C)(C)CC(=O)NCCO 527a_100000210304_100000211214 [0,2,0,0,0,0|2,0,0]=4 3706 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200010999194_200025704644 [0,2,0,0,0,0|1,0,0]=3 3707 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200025704644_200010999194 [0,2,0,0,0,0|1,0,0]=3 3708 B10R0.28 CC(C)(O)CC(=O)CCC#N 1458a_100000693243_100011215226 [0,2,0,0,0,0|1,0,1]=4 3709 B10R0.28 CC(C)(O)CC(=O)CCCF 1458a_100000693243_100011934791 [0,2,0,0,0,0|1,0,0]=3 3710 B10R0.28 CC(C)(O)CC(=O)CCCO 1458a_100000693243_100011215043 [0,2,0,0,0,0|1,0,0]=3 3711 B10R0.28 CC(C)(O)CC(=O)NCC#N 527a_100000734998_100000693243 [0,2,0,0,0,0|1,0,1]=4 3712 B10R0.28 CC(C)(O)CC(=O)NCCF 527a_100000724931_100000693243 [0,2,0,0,0,0|1,0,0]=3 3713 B10R0.28 CC(C)(O)CC(=O)NCCO 527a_100000210304_100000693243 [0,2,0,0,0,0|1,0,0]=3 3714 B10R0.28 CC=CCC(=O)CC(C)(C)O 1458a_100000693243_100000070051 [0,2,0,0,0,0|1,0,1]=4 3715 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,2,0,0,0,0|2,0,0]=4 3716 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,2,0,0,0,0|1,0,0]=3 3717 B10R0.28 CCCNC(=O)CC(C)(C)C 11a_100020643023_100000211214 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.28 CCCNC(=O)CC(C)(C)C 1626a_100020643023_100000211214 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.28 CCCNC(=O)CC(C)(C)C 240690a_100020643023_100000211214 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.28 CCCNC(=O)CC(C)(C)C 527a_100020643023_100000211214 [0,2,0,0,0,0|2,0,0]=4 3721 B10R0.28 CCCNC(=O)CC(C)(C)O 527a_100020643023_100000693243 [0,2,0,0,0,0|1,0,0]=3 3722 B10R0.28 CCNNC(=O)CC(C)(C)C 22a_100000756455_100000211214 [0,2,0,0,0,0|2,0,0]=4 3723 B10R0.28 CCNNC(=O)CC(C)(C)O 22a_100000756455_100000693243 [0,2,0,0,0,0|1,0,0]=3 3724 B10R0.28 CCOCC(=O)C[Si](C)(C)C 1458a_100000211967_100000233785 [0,2,0,0,0,0|1,1,0]=4 3725 B10R0.28 CCOCC(=O)NC(C)(C)C 11a_100000715429_100000211967 [0,2,0,0,0,0|2,0,0]=4 3726 B10R0.28 CCOCC(=O)NC(C)(C)C 1626a_100000715429_100000211967 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.28 CCOCC(=O)NC(C)(C)C 240690a_100000715429_100000211967 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.28 CCOCC(=O)NC(C)(C)C 34a_100121572206_100000182746 [0,2,0,0,0,0|2,0,0]=4 3729 B10R0.28 CCOCC(=O)NC(C)(C)C 527a_100000715429_100000211967 [0,2,0,0,0,0|2,0,0]=4 3730 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100000752683_100000210202 [0,2,0,0,0,0|2,0,0]=4 3731 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100121572206_100000183872 [0,2,0,0,0,0|2,0,0]=4 3732 B10R0.28 CCOCN(C)CC(C)(C)O 269982a_100000755907_100000739092 [0,2,0,0,0,0|2,0,0]=4 3733 B10R0.28 CNCOC(=O)CC(C)(C)C 2230a_106832991635_200010999194 [0,2,0,0,0,0|1,0,0]=3 3734 B10R0.28 CNCOC(=O)CC(C)(C)C 34a_100102657272_200010999194 [0,2,0,0,0,0|1,0,0]=3 3735 B10R0.28 CNCOC(=O)CC(C)(C)C 7a_106832991635_200010999194 [0,2,0,0,0,0|1,0,0]=3 3736 B10R0.28 COCCC(=O)CC(C)(C)C 1458a_100000211214_100000233755 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.28 COCCC(=O)CC(C)(C)O 1458a_100000693243_100000233755 [0,2,0,0,0,0|1,0,0]=3 3738 B10R0.28 COCOC(=O)CC(C)(C)C 34a_100138415774_200010999194 [0,2,0,0,0,0|1,0,0]=3 3739 B10R0.28 CSCCC(=O)CC(C)(C)C 1458a_100000211214_100000751147 [0,2,0,0,0,0|2,0,0]=4 3740 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [0,2,0,0,0,0|1,0,0]=3 3741 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200000210301_200010999194 [0,2,0,0,0,0|1,0,0]=3 3742 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200010999194_200000210301 [0,2,0,0,0,0|1,0,0]=3 3743 B10R0.44 C#CC(C)NC(=O)CC(C)C 11a_100000707721_100000210554 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.44 C#CC(C)NC(=O)CC(C)C 1626a_100000707721_100000210554 [0,2,0,0,0,0|2,0,0]=4 3745 B10R0.44 C#CC(C)NC(=O)CC(C)C 240690a_100000707721_100000210554 [0,2,0,0,0,0|2,0,0]=4 3746 B10R0.44 C#CC(C)NC(=O)CC(C)C 527a_100000707721_100000210554 [0,2,0,0,0,0|2,0,0]=4 3747 B10R0.44 C#CC(C)NC(=O)C[C@@H](C)O 240690a_100000707721_100011933948 [0,2,0,0,0,0|1,0,0]=3 3748 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,2,0,0,0,0|1,0,1]=4 3749 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,2,0,0,0,0|2,0,0]=4 3750 B10R0.44 C=CC(C)CC(=O)CC(C)O 1458a_100011934298_100011218427 [0,2,0,0,0,0|1,0,0]=3 3751 B10R0.44 C=CC(C)CC(=O)NC(C)C 11a_100138425928_100011934298 [0,2,0,0,0,0|2,0,0]=4 3752 B10R0.44 C=CC(C)CC(=O)NC(C)C 1626a_100138425928_100011934298 [0,2,0,0,0,0|2,0,0]=4 3753 B10R0.44 C=CC(C)CC(=O)NC(C)C 240690a_100138425928_100011934298 [0,2,0,0,0,0|2,0,0]=4 3754 B10R0.44 C=CC(C)CC(=O)NC(C)C 527a_100138425928_100011934298 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,2,0,0,0,0|1,0,1]=4 3756 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,2,0,0,0,0|1,0,1]=4 3757 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,2,0,0,0,0|1,0,1]=4 3758 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,2,0,0,0,0|1,0,0]=3 3759 B10R0.44 CC(C)CC(=O)NC(C)C#N 11a_100000737613_100000210554 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.44 CC(C)CC(=O)NC(C)C#N 1626a_100000737613_100000210554 [0,2,0,0,0,0|2,0,0]=4 3761 B10R0.44 CC(C)CC(=O)NC(C)C#N 527a_100000737613_100000210554 [0,2,0,0,0,0|2,0,0]=4 3762 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 3763 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 3764 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 3765 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 3766 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,2,0,0,0,0|2,0,0]=4 3767 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,2,0,0,0,0|2,0,0]=4 3768 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 2708a_100138425928_100000737577 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100138425928 [0,2,0,0,0,0|2,0,0]=4 3770 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100138425928_100000737577 [0,2,0,0,0,0|2,0,0]=4 3771 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,2,0,0,0,0|0,0,2]=4 3772 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,2,0,0,0,0|1,1,0]=4 3773 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,2,0,0,0,0|1,1,0]=4 3774 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,2,0,0,0,0|1,0,0]=3 3776 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|2,0,0]=4 3777 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|1,0,0]=3 3778 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,2,0,0,0,0|0,0,2]=4 3779 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,2,0,0,0,0|2,0,0]=4 3780 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,2,0,0,0,0|2,0,0]=4 3781 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,2,0,0,0,0|1,0,0]=3 3782 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,2,0,0,0,0|1,0,0]=3 3783 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 3784 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 3787 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,2,0,0,0,0|2,0,0]=4 3789 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,2,0,0,0,0|2,0,0]=4 3791 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,2,0,0,0,0|1,0,0]=3 3792 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,2,0,0,0,0|1,0,1]=4 3793 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [0,2,0,0,0,0|1,0,1]=4 3794 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [0,2,0,0,0,0|1,0,1]=4 3795 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,2,0,0,0,0|1,0,0]=3 3796 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,2,0,0,0,0|1,0,0]=3 3797 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,2,0,0,0,0|1,0,0]=3 3798 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [0,2,0,0,0,0|2,0,0]=4 3799 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,2,0,0,0,0|2,0,0]=4 3800 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,2,0,0,0,0|1,0,0]=3 3801 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,2,0,0,0,0|2,0,0]=4 3802 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,2,0,0,0,0|1,0,0]=3 3803 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,2,0,0,0,0|1,0,0]=3 3804 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,2,0,0,0,0|2,0,0]=4 3805 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,2,0,0,0,0|1,0,0]=3 3806 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,2,0,0,0,0|2,0,0]=4 3807 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,2,0,0,0,0|2,0,0]=4 3808 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,2,0,0,0,0|2,0,0]=4 3809 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,2,0,0,0,0|1,0,0]=3 3810 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [0,2,0,0,0,0|1,0,1]=4 3811 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,2,0,0,0,0|2,0,0]=4 3812 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|1,0,1]=4 3813 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|1,0,1]=4 3814 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,2,0,0,0,0|1,1,0]=4 3815 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,2,0,0,0,0|1,1,0]=4 3816 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [0,2,0,0,0,0|2,0,0]=4 3817 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,2,0,0,0,0|1,0,0]=3 3818 B10R0.44 C[C@@H](CO)CC(=O)C[S+](C)C 1458a_200159257847_100000059175 [0,2,0,0,0,0|2,0,0]=4 3819 B10R0.44 C[C@H](CF)NC(=O)C[C@@H](C)O 240690a_100102880703_100011933948 [0,2,0,0,0,0|1,0,0]=3 3820 B10R0.44 C[C@H](CO)NC(=O)C[C@@H](C)O 240690a_100000737577_100011933948 [0,2,0,0,0,0|1,0,0]=3 3821 B10R0.81 CC(C)C(C)C(=O)CCCF 1458a_100000755409_100011934791 [0,2,0,0,0,0|2,0,0]=4 3822 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [0,2,0,0,0,0|2,0,0]=4 3823 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 3824 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 3825 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 3826 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 3827 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [0,2,0,0,0,0|2,0,0]=4 3828 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [0,2,0,0,0,0|2,0,0]=4 3829 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [0,2,0,0,0,0|2,0,0]=4 3830 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,2,0,0,0,0|2,0,0]=4 3831 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [0,2,0,0,0,0|2,0,0]=4 3832 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [0,2,0,0,0,0|2,0,0]=4 3833 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|2,0,0]=4 3834 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|2,0,0]=4 3835 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [0,2,0,0,0,0|2,0,0]=4 3836 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [0,2,0,0,0,0|2,0,0]=4 3837 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [0,2,0,0,0,0|2,0,0]=4 3838 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [0,2,0,0,0,0|2,0,0]=4 3839 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,2,0,0,0,0|2,0,0]=4 3840 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|0,0,2]=4 3841 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [0,2,0,0,0,0|2,0,0]=4 3842 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [0,2,0,0,0,0|2,0,0]=4 3843 B10R0.81 CCNNC(=O)C(C)C(C)C 22a_100000756455_100000755409 [0,2,0,0,0,0|2,0,0]=4 3844 B10R0.81 CCNNC(=O)[C@H](O)C(C)C 22a_100000756455_100000691806 [0,2,0,0,0,0|2,0,0]=4 3845 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|0,0,2]=4 3846 B10R0.81 CCOCC(=O)N(C)C(C)C 11a_200000211004_100000211967 [0,2,0,0,0,0|2,0,0]=4 3847 B10R0.81 CCOCC(=O)N(C)C(C)C 1626a_200000211004_100000211967 [0,2,0,0,0,0|2,0,0]=4 3848 B10R0.81 CCOCC(=O)N(C)C(C)C 240690a_200000211004_100000211967 [0,2,0,0,0,0|2,0,0]=4 3849 B10R0.81 CCOCC(=O)N(C)C(C)C 34a_100121572206_100000230190 [0,2,0,0,0,0|2,0,0]=4 3850 B10R0.81 CCOCC(=O)N(C)C(C)C 527a_200000211004_100000211967 [0,2,0,0,0,0|2,0,0]=4 3851 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [0,2,0,0,0,0|2,0,0]=4 3852 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,2,0,0,0,0|2,0,0]=4 3853 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [0,2,0,0,0,0|2,0,0]=4 3854 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,2,0,0,0,0|2,0,0]=4 3855 B10R0.87 CCOCN(CC)C[C@H](C)O 269982a_100000729506_100000739092 [0,2,0,0,0,0|2,0,0]=4 3856 B10R0.13 CC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000179758 [0,2,0,0,0,0|1,0,1]=4 3857 B10R0.13 CC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000210624 [0,2,0,0,0,0|2,0,0]=4 3858 B10R0.13 CC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 3859 B10R0.13 CC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 3860 B10R0.13 CC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 3861 B10R0.13 CC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 3862 B10R0.13 CC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210624 [0,2,0,0,0,0|2,0,0]=4 3863 B10R0.13 CC(C)N(C)C(=O)C[C@@H](C)O 240690a_200000211004_100011933948 [0,2,0,0,0,0|1,0,0]=3 3864 B10R0.13 CC(C)NC(=O)C(C)C(C)C 11a_100138425928_100000755409 [0,2,0,0,0,0|2,0,0]=4 3865 B10R0.13 CC(C)NC(=O)C(C)C(C)C 1626a_100138425928_100000755409 [0,2,0,0,0,0|2,0,0]=4 3866 B10R0.13 CC(C)NC(=O)C(C)C(C)C 240690a_100138425928_100000755409 [0,2,0,0,0,0|2,0,0]=4 3867 B10R0.13 CC(C)NC(=O)C(C)C(C)C 527a_100138425928_100000755409 [0,2,0,0,0,0|2,0,0]=4 3868 B10R0.13 CC(C)NC(=O)[C@H](O)C(C)C 240690a_100138425928_100000691806 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.13 CC(O)CC(=O)C(=O)N(C)C 1458a_100011218876_100011218427 [0,2,0,0,0,0|2,0,0]=4 3870 B10R0.13 CC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218427 [0,2,0,0,0,0|1,0,0]=3 3871 B10R0.13 CC(O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100011218427 [0,2,0,0,0,0|2,0,0]=4 3872 B10R0.13 CC(O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011218427 [0,2,0,0,0,0|1,0,0]=3 3873 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,2,0,0,0,0|2,0,0]=4 3874 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,2,0,0,0,0|1,0,0]=3 3876 B10R0.35 CCNC(=O)N(C)C(C)CO 2708a_100015525214_100000693034 [0,2,0,0,0,0|2,0,0]=4 3877 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [0,2,0,0,0,0|1,0,0]=3 3878 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,2,0,0,0,0|1,0,1]=4 3879 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,2,0,0,0,0|0,1,1]=4 3880 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,2,0,0,0,0|0,1,1]=4 3881 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,2,0,0,0,0|0,1,1]=4 3882 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,2,0,0,0,0|0,1,1]=4 3883 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|0,0,2]=4 3884 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|0,0,2]=4 3885 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [0,2,0,0,0,0|0,0,2]=4 3886 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [0,2,0,0,0,0|0,0,2]=4 3887 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,2,0,0,0,0|0,0,2]=4 3888 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,2,0,0,0,0|0,0,2]=4 3889 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,2,0,0,0,0|0,0,2]=4 3890 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,2,0,0,0,0|0,0,2]=4 3891 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,2,0,0,0,0|2,0,0]=4 3892 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,2,0,0,0,0|2,0,0]=4 3893 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|0,0,2]=4 3894 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [0,2,0,0,0,0|0,0,2]=4 3895 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 3896 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 3897 B10R0.35 O=C(CCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011217306 [0,2,0,0,0,0|2,0,0]=4 3898 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.36 CCOC(=O)C(C)(C)C(=O)C 1458a_100000694683_200000210301 [0,2,0,0,0,0|0,0,2]=4 3900 B10R0.36 CCOC(=O)C(C)(C)C(=O)[13CH3] 1458a_100000694683_200025704644 [0,2,0,0,0,0|0,0,2]=4 3901 B10R0.36 CCOC(=O)C(C)(C)N(C)C 2230a_100102631434_100011216345 [0,2,0,0,0,0|2,0,0]=4 3902 B10R0.36 CCOC(=O)C(C)(C)N(C)C 269982a_100102631434_100048669870 [0,2,0,0,0,0|2,0,0]=4 3903 B10R0.36 CCOC(=O)C(C)(O)C(=O)C 1458a_200009913003_200000210301 [0,2,0,0,0,0|0,0,2]=4 3904 B10R0.36 CCOC(=O)C(C)(O)C(=O)[13CH3] 1458a_200009913003_200025704644 [0,2,0,0,0,0|0,0,2]=4 3905 B10R0.36 CCOC(=O)C(F)(F)N(C)C 269982a_100102631434_100000210910 [0,2,0,0,0,0|2,0,0]=4 3906 B10R0.56 CCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000758301 [0,2,0,0,0,0|2,0,0]=4 3907 B10R0.56 CCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000758301 [0,2,0,0,0,0|2,0,0]=4 3908 B10R0.56 CCN(C)C(=O)C(C)C(C)C 11a_100000225621_100000755409 [0,2,0,0,0,0|2,0,0]=4 3909 B10R0.56 CCN(C)C(=O)C(C)C(C)C 1626a_100000225621_100000755409 [0,2,0,0,0,0|2,0,0]=4 3910 B10R0.56 CCN(C)C(=O)C(C)C(C)C 240690a_100000225621_100000755409 [0,2,0,0,0,0|2,0,0]=4 3911 B10R0.56 CCN(C)C(=O)C(C)C(C)C 527a_100000225621_100000755409 [0,2,0,0,0,0|2,0,0]=4 3912 B10R0.56 CCN(C)C(=O)[C@H](O)C(C)C 240690a_100000225621_100000691806 [0,2,0,0,0,0|2,0,0]=4 3913 B10R0.100 CCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210303 [0,2,0,0,0,0|2,0,0]=4 3914 B10R0.100 CCNC(=O)[C@@H](O)C(C)(C)C 240690a_100015525214_100009816492 [0,2,0,0,0,0|2,0,0]=4 3915 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,2,0,0,0,0|0,0,2]=4 3916 B10R0.101 CCOC(=O)C(CC)N(C)C 2230a_100102631434_100000212269 [0,2,0,0,0,0|2,0,0]=4 3917 B10R0.101 CCOC(=O)C(CC)N(C)C 269982a_100102631434_100000212269 [0,2,0,0,0,0|2,0,0]=4 3918 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,2,0,0,0,0|0,0,2]=4 3919 B10R0.101 CCOC(=O)C(NC)C(C)C 34a_100102657272_100000740032 [0,2,0,0,0,0|1,0,0]=3 3920 B10R0.101 CCOC(=O)C(NC)C(C)C 7a_106832991635_100000740032 [0,2,0,0,0,0|1,0,0]=3 3921 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,2,0,0,0,0|0,0,2]=4 3922 B10R0.101 CCOC(=O)C(OC)C(C)C 34a_100138415774_100000740032 [0,2,0,0,0,0|1,0,0]=3 3923 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,2,0,0,0,0|0,0,2]=4 3924 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,2,0,0,0,0|0,0,2]=4 3925 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,2,0,0,0,0|0,0,2]=4 3926 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_100000740032_200000210301 [0,2,0,0,0,0|1,0,0]=3 3927 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_200000210301_100000740032 [0,2,0,0,0,0|1,0,0]=3 3928 B10R0.101 CCOC(=O)C(SC)N(C)C 269982a_100102631434_100009893047 [0,2,0,0,0,0|2,0,0]=4 3929 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,2,0,0,0,0|0,0,2]=4 3930 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,2,0,0,0,0|0,0,2]=4 3931 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_100000740032_200025704644 [0,2,0,0,0,0|1,0,0]=3 3932 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000740032 [0,2,0,0,0,0|1,0,0]=3 3933 B10R0.37 CCC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000758301 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.37 CCC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000758301 [0,2,0,0,0,0|1,0,0]=3 3935 B10R0.37 CCN(C)C(=O)CC(C)(C)C 11a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.37 CCN(C)C(=O)CC(C)(C)C 1626a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 3937 B10R0.37 CCN(C)C(=O)CC(C)(C)C 240690a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 3938 B10R0.37 CCN(C)C(=O)CC(C)(C)C 527a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 3939 B10R0.37 CCN(C)C(=O)CC(C)(C)O 527a_100000225621_100000693243 [0,2,0,0,0,0|1,0,0]=3 3940 B10R0.46 C/C=C(\C)/C(=O)CC(O)CC 1458a_100020587367_100011218378 [0,2,0,0,0,0|1,0,1]=4 3941 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_100020587367_100000059175 [0,2,0,0,0,0|1,0,1]=4 3942 B10R0.46 C=CC(C)CC(=O)C(C)CC 1458a_100011934298_100000758301 [0,2,0,0,0,0|2,0,0]=4 3943 B10R0.46 C=CC(C)CC(=O)N(C)CC 11a_100000225621_100011934298 [0,2,0,0,0,0|2,0,0]=4 3944 B10R0.46 C=CC(C)CC(=O)N(C)CC 1626a_100000225621_100011934298 [0,2,0,0,0,0|2,0,0]=4 3945 B10R0.46 C=CC(C)CC(=O)N(C)CC 240690a_100000225621_100011934298 [0,2,0,0,0,0|2,0,0]=4 3946 B10R0.46 C=CC(C)CC(=O)N(C)CC 527a_100000225621_100011934298 [0,2,0,0,0,0|2,0,0]=4 3947 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|2,0,0]=4 3948 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,2,0,0,0,0|1,0,0]=3 3949 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 3950 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 3951 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|2,0,0]=4 3952 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|2,0,0]=4 3953 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|2,0,0]=4 3954 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 3955 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 3956 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 3957 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 3958 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|2,0,0]=4 3959 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,2,0,0,0,0|1,0,0]=3 3960 B10R0.46 CCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011196387 [0,2,0,0,0,0|2,0,0]=4 3961 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|2,0,0]=4 3962 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|1,0,0]=3 3963 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|1,0,0]=3 3964 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,2,0,0,0,0|2,0,0]=4 3965 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [0,2,0,0,0,0|2,0,0]=4 3966 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|1,0,0]=3 3967 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,2,0,0,0,0|2,0,0]=4 3968 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|1,0,0]=3 3969 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|1,0,0]=3 3970 B10R0.46 CCN(C)C(=O)N[C@H](C)CO 273464a_100000737577_100000225621 [0,2,0,0,0,0|2,0,0]=4 3971 B10R0.46 CNC(=O)C(=O)C[C@@H](C)CO 1458a_100011218921_100000059175 [0,2,0,0,0,0|2,0,0]=4 3972 B10R0.46 COC(C)C(=O)C[C@@H](C)CO 1458a_100000743197_100000059175 [0,2,0,0,0,0|2,0,0]=4 3973 B10R0.46 CSC(C)C(=O)C[C@@H](C)CO 1458a_100000149566_100000059175 [0,2,0,0,0,0|2,0,0]=4 3974 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,2,0,0,0,0|2,0,0]=4 3975 B10R0.63 CC(O)CC(=O)C(C)(C)CF 1458a_100000138116_100011218427 [0,2,0,0,0,0|2,0,0]=4 3976 B10R0.63 CC(O)CC(=O)C(C)(C)CO 1458a_100000749806_100011218427 [0,2,0,0,0,0|2,0,0]=4 3977 B10R0.63 CCC(C)(C)C(=O)CC(C)C 1458a_100000749717_100000210624 [0,2,0,0,0,0|2,0,0]=4 3978 B10R0.63 CCC(C)(C)C(=O)CC(C)O 1458a_100000749717_100011218427 [0,2,0,0,0,0|1,0,0]=3 3979 B10R0.63 CCC(C)(O)C(=O)CC(C)C 1458a_100011219770_100000210624 [0,2,0,0,0,0|2,0,0]=4 3980 B10R0.63 CCC(C)(O)C(=O)CC(C)O 1458a_100011219770_100011218427 [0,2,0,0,0,0|1,0,0]=3 3981 B10R0.63 CCC(F)(F)C(=O)CC(C)C 1458a_100000061896_100000210624 [0,2,0,0,0,0|2,0,0]=4 3982 B10R0.63 CCC(F)(F)C(=O)CC(C)O 1458a_100000061896_100011218427 [0,2,0,0,0,0|1,0,0]=3 3983 B10R0.63 COC(C)(C)C(=O)CC(C)O 1458a_100000753492_100011218427 [0,2,0,0,0,0|2,0,0]=4 3984 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000210554_100000210505 [0,2,0,0,0,0|2,0,0]=4 3985 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000211163_100000210624 [0,2,0,0,0,0|2,0,0]=4 3986 B10R0.144 CCC(CC)C(=O)CC(C)O 1458a_100000211163_100011218427 [0,2,0,0,0,0|1,0,0]=3 3987 B10R0.144 CCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100000210505 [0,2,0,0,0,0|1,0,0]=3 3988 B10R0.144 CCC(OC)C(=O)CC(C)C 1458a_100000747056_100000210624 [0,2,0,0,0,0|2,0,0]=4 3989 B10R0.144 CCC(OC)C(=O)CC(C)O 1458a_100000747056_100011218427 [0,2,0,0,0,0|1,0,0]=3 3990 B10R0.144 CCN(CC)C(=O)CC(C)C 11a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 3991 B10R0.144 CCN(CC)C(=O)CC(C)C 1626a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 3992 B10R0.144 CCN(CC)C(=O)CC(C)C 240690a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 3993 B10R0.144 CCN(CC)C(=O)CC(C)C 527a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 3994 B10R0.144 CCN(CC)C(=O)C[C@@H](C)O 240690a_100000724800_100011933948 [0,2,0,0,0,0|1,0,0]=3 3995 B10R0.144 COC(OC)C(=O)CC(C)O 1458a_100000046285_100011218427 [0,2,0,0,0,0|2,0,0]=4 3996 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,2,0,0,0,0|0,0,2]=4 3997 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,2,0,0,0,0|0,0,2]=4 3998 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,2,0,0,0,0|2,0,0]=4 3999 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,2,0,0,0,0|2,0,0]=4 4000 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,2,0,0,0,0|2,0,0]=4 4001 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,2,0,0,0,0|0,0,2]=4 4002 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,2,0,0,0,0|0,0,2]=4 4003 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,2,0,0,0,0|2,0,0]=4 4004 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,2,0,0,0,0|2,0,0]=4 4005 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,2,0,0,0,0|2,0,0]=4 4006 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,2,0,0,0,0|0,0,2]=4 4007 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|0,0,2]=4 4008 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|0,0,2]=4 4009 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|0,0,2]=4 4010 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|2,0,0]=4 4011 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|2,0,0]=4 4012 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|1,1,0]=4 4013 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 4014 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 4015 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,2,0,0,0,0|2,0,0]=4 4016 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 4023 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 4024 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 4027 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 4029 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 4030 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|0,0,2]=4 4032 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,2,0,0,0,0|1,1,0]=4 4033 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,2,0,0,0,0|1,1,0]=4 4034 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,2,0,0,0,0|1,1,0]=4 4035 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,2,0,0,0,0|2,0,0]=4 4038 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,2,0,0,0,0|2,0,0]=4 4040 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 4044 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 4045 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 4046 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 4047 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 4048 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 4049 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 4050 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 4051 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|1,0,0]=3 4052 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,2,0,0,0,0|0,0,2]=4 4053 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,2,0,0,0,0|0,0,2]=4 4054 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,2,0,0,0,0|0,0,2]=4 4055 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|0,0,2]=4 4056 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|0,0,2]=4 4057 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|0,0,2]=4 4058 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|0,0,2]=4 4059 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|0,0,2]=4 4060 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|0,0,2]=4 4061 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|0,0,2]=4 4062 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|0,0,2]=4 4063 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|0,0,2]=4 4064 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,2,0,0,0,0|0,0,2]=4 4065 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|0,1,0]=3 4066 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|0,1,0]=3 4067 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|0,1,0]=3 4068 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|0,1,0]=3 4069 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,2,0,0,0,0|2,0,0]=4 4070 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,2,0,0,0,0|2,0,0]=4 4071 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,2,0,0,0,0|1,0,1]=4 4072 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,2,0,0,0,0|2,0,0]=4 4073 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,2,0,0,0,0|1,0,0]=3 4074 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,2,0,0,0,0|1,0,0]=3 4075 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,2,0,0,0,0|1,0,0]=3 4076 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|1,0,0]=3 4077 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|1,1,0]=4 4078 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|0,0,0]=2 4079 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,2,0,0,0,0|0,0,0]=2 4080 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|0,0,0]=2 4081 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|0,0,0]=2 4082 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|0,0,0]=2 4083 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|0,0,0]=2 4084 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|0,0,0]=2 4085 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|0,0,0]=2 4086 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|0,0,0]=2 4087 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,2,0,0,0,0|1,1,0]=4 4088 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,2,0,0,0,0|1,1,0]=4 4089 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,2,0,0,0,0|1,1,0]=4 4090 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,2,0,0,0,0|1,1,0]=4 4091 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [0,2,0,0,0,0|2,0,0]=4 4092 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [0,2,0,0,0,0|2,0,0]=4 4093 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [0,2,0,0,0,0|2,0,0]=4 4094 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,2,0,0,0,0|2,0,0]=4 4095 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,2,0,0,0,0|1,0,0]=3 4096 B10R0.7 CCCC(=O)NC(C)(C)CO 240690a_100000210608_100000211992 [0,2,0,0,0,0|2,0,0]=4 4097 B10R0.7 CCCC(=O)NC(C)(C)CO 527a_100020618417_100000211992 [0,2,0,0,0,0|2,0,0]=4 4098 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 4099 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 4100 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 4101 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,2,0,0,0,0|1,0,0]=3 4102 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,2,0,0,0,0|1,0,0]=3 4103 B10R0.7 CCNC(=O)NC(C)(C)CO 2708a_100015525214_100000210608 [0,2,0,0,0,0|2,0,0]=4 4104 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100000210608_100015525214 [0,2,0,0,0,0|2,0,0]=4 4105 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100015525214_100000210608 [0,2,0,0,0,0|2,0,0]=4 4106 B10R0.7 CCNC(=O)NC(C)(C)CO 512a_100000210608_100015525214 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,2,0,0,0,0|0,0,0]=2 4108 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,2,0,0,0,0|0,0,0]=2 4109 B10R0.7 CCOC(=O)CS(=O)(=O)NC 270084a_100102657272_100000738689 [0,2,0,0,0,0|1,0,1]=4 4110 B10R0.7 CCOC(=O)CS(=O)(=O)NC 274078a_100102657272_100000738689 [0,2,0,0,0,0|1,0,1]=4 4111 B10R0.7 CCOC(C)CC(C)(C)OC 7a_200011252547_100000210202 [0,2,0,0,0,0|1,0,1]=4 4112 B10R0.34 CC#CC(=O)CC(OC)OC 1458a_100000763181_100000751394 [0,2,0,0,0,0|1,0,1]=4 4113 B10R0.34 CC=CC(=O)CC(OC)OC 1458a_100000210699_100000751394 [0,2,0,0,0,0|1,0,1]=4 4114 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,2,0,0,0,0|2,0,0]=4 4115 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,2,0,0,0,0|1,0,0]=3 4116 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,2,0,0,0,0|1,0,0]=3 4117 B10R0.34 CCCC(=O)NC(CO)CO 240690a_100000759517_100000211992 [0,2,0,0,0,0|2,0,0]=4 4118 B10R0.34 CCCC(=O)NC(CO)CO 527a_100000759517_100000211992 [0,2,0,0,0,0|2,0,0]=4 4119 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [0,2,0,0,0,0|2,0,0]=4 4120 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [0,2,0,0,0,0|2,0,0]=4 4121 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [0,2,0,0,0,0|1,0,0]=3 4122 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [0,2,0,0,0,0|1,0,0]=3 4123 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [0,2,0,0,0,0|1,0,0]=3 4124 B10R0.34 CCNC(=O)NC(CO)CO 2708a_100015525214_100000759517 [0,2,0,0,0,0|2,0,0]=4 4125 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100000759517_100015525214 [0,2,0,0,0,0|2,0,0]=4 4126 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100015525214_100000759517 [0,2,0,0,0,0|2,0,0]=4 4127 B10R0.34 CCNC(=O)NC(CO)CO 512a_100015525214_100000759517 [0,2,0,0,0,0|2,0,0]=4 4128 B10R0.34 CCNC(=O)N[C@@H](CC)CO 2708a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 4129 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015525214 [0,2,0,0,0,0|2,0,0]=4 4130 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 4131 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015525214 [0,2,0,0,0,0|2,0,0]=4 4132 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 4133 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [0,2,0,0,0,0|2,0,0]=4 4134 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [0,2,0,0,0,0|2,0,0]=4 4135 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [0,2,0,0,0,0|2,0,0]=4 4136 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [0,2,0,0,0,0|2,0,0]=4 4137 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [0,2,0,0,0,0|2,0,0]=4 4138 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [0,2,0,0,0,0|2,0,0]=4 4139 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,2,0,0,0,0|0,0,0]=2 4140 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,2,0,0,0,0|0,0,0]=2 4141 B10R0.34 CCOC(C)CC(OC)OC 7a_100011018202_100000210202 [0,2,0,0,0,0|1,0,1]=4 4142 B10R0.34 CNNC(=O)CC(OC)OC 22a_100016993582_100000082724 [0,2,0,0,0,0|2,0,0]=4 4143 B10R0.34 COC(CC(=O)CCF)OC 1458a_100000082724_100011217306 [0,2,0,0,0,0|2,0,0]=4 4144 B10R0.34 COC(CC(=O)CCO)OC 1458a_100000082724_100000211926 [0,2,0,0,0,0|2,0,0]=4 4145 B10R0.34 COC(CC(=O)CCO)OC 1458a_100011216618_100000751394 [0,2,0,0,0,0|2,0,0]=4 4146 B10R0.34 COC(CC(=O)CSC)OC 1458a_100000184570_100000751394 [0,2,0,0,0,0|2,0,0]=4 4147 B10R0.34 COCC(=O)CC(OC)OC 1458a_100000210968_100000751394 [0,2,0,0,0,0|2,0,0]=4 4148 B10R0.31 C=C(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748629 [0,2,0,0,0,0|1,0,1]=4 4149 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_200000210301 [0,2,0,0,0,0|0,0,2]=4 4150 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000070787_100000183872 [0,2,0,0,0,0|0,0,2]=4 4151 B10R0.31 CC(C)(C)OC(=O)CC(=O)[13CH3] 1458a_100000033093_200025704644 [0,2,0,0,0,0|0,0,2]=4 4152 B10R0.31 CC(C)(O)CC(=O)CC(F)F 1458a_100000693243_100011934356 [0,2,0,0,0,0|2,0,0]=4 4153 B10R0.31 CC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000210624 [0,2,0,0,0,0|2,0,0]=4 4154 B10R0.31 CC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000210624 [0,2,0,0,0,0|1,0,0]=3 4155 B10R0.31 CC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000210554 [0,2,0,0,0,0|2,0,0]=4 4156 B10R0.31 CC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000210554 [0,2,0,0,0,0|2,0,0]=4 4157 B10R0.31 CC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000210554 [0,2,0,0,0,0|2,0,0]=4 4158 B10R0.31 CC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000210554 [0,2,0,0,0,0|2,0,0]=4 4159 B10R0.31 CC(C)NC(=O)CC(C)(C)C 11a_100138425928_100000211214 [0,2,0,0,0,0|2,0,0]=4 4160 B10R0.31 CC(C)NC(=O)CC(C)(C)C 1626a_100138425928_100000211214 [0,2,0,0,0,0|2,0,0]=4 4161 B10R0.31 CC(C)NC(=O)CC(C)(C)C 240690a_100138425928_100000211214 [0,2,0,0,0,0|2,0,0]=4 4162 B10R0.31 CC(C)NC(=O)CC(C)(C)C 527a_100138425928_100000211214 [0,2,0,0,0,0|2,0,0]=4 4163 B10R0.31 CC(C)NC(=O)CC(C)(C)O 527a_100138425928_100000693243 [0,2,0,0,0,0|1,0,0]=3 4164 B10R0.31 CC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218427 [0,2,0,0,0,0|1,0,0]=3 4165 B10R0.31 CC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218427 [0,2,0,0,0,0|1,0,0]=3 4166 B10R0.31 CC(O)CC(=O)CC(F)(F)F 1458a_100000245130_100011218427 [0,2,0,0,0,0|2,0,0]=4 4167 B10R0.31 CC(O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100011218427 [0,2,0,0,0,0|2,0,0]=4 4168 B10R0.31 CC(O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100011218427 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.31 CC(O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100011218427 [0,2,0,0,0,0|1,1,0]=4 4170 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100000725589_200000210301 [0,2,0,0,0,0|2,0,0]=4 4171 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100102631434_100000183872 [0,2,0,0,0,0|2,0,0]=4 4172 B10R0.31 CN([13CH3])CC(=O)OC(C)(C)C 2230a_100000725589_200025704644 [0,2,0,0,0,0|2,0,0]=4 4173 B10R0.31 C[C@@H](O)CC(=O)C[Si](C)(C)C 1458a_100011933948_100000233785 [0,2,0,0,0,0|1,1,0]=4 4174 B10R0.31 C[C@@H](O)CC(=O)NC(C)(C)C 240690a_100000715429_100011933948 [0,2,0,0,0,0|1,0,0]=3 4175 B10R0.31 C[C@@H](O)CC(=O)NS(=O)(=O)C 2740a_100000171171_100011933948 [0,2,0,0,0,0|2,0,0]=4 4176 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [1,0,0,1,0,0|2,0,0]=4 4177 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [1,0,0,1,0,0|2,0,0]=4 4178 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 4179 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 4180 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 4181 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 4182 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 4183 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 4184 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,0,0,1,0,0|2,0,0]=4 4185 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,0,0,1,0,0|2,0,0]=4 4186 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 4187 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,0,0,1,0,0|2,0,0]=4 4188 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,0,0,1,0,0|2,0,0]=4 4189 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 4190 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|0,0,2]=4 4191 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [1,0,0,1,0,0|2,0,0]=4 4192 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [1,0,0,1,0,0|2,0,0]=4 4193 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [1,0,0,1,0,0|2,0,0]=4 4194 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [1,0,0,1,0,0|0,0,2]=4 4195 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [1,0,0,1,0,0|0,0,2]=4 4196 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [1,0,0,1,0,0|0,0,2]=4 4197 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [1,0,0,1,0,0|0,0,2]=4 4198 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,0]=3 4199 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,0]=3 4200 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|0,0,0]=2 4201 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|0,1,0]=3 4202 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|0,0,0]=2 4203 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 4204 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 4205 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 4206 B8R1.40 CCN(C)CC1CO1 2230a_100000225621_100011216344 [1,0,0,1,0,0|2,0,0]=4 4207 B8R1.40 CCN(C)CC1CO1 269982a_100000225621_102125554688 [1,0,0,1,0,0|2,0,0]=4 4208 B8R1.40 CCN(C)C[C@@H]1CO1 269982a_100000225621_100000745022 [1,0,0,1,0,0|2,0,0]=4 4209 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|2,0,0]=4 4210 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 4211 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 4212 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 4213 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|2,0,0]=4 4214 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|2,0,0]=4 4215 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|1,0,0]=3 4216 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|1,1,0]=4 4217 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|1,0,0]=3 4218 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4219 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4220 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4221 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4222 B8R1.53 CCN1CC(C1)(C)O 2230a_100000718560_100000210202 [1,0,0,1,0,0|2,0,0]=4 4223 B8R1.53 CCN1CC(C1)(C)O 269982a_100000718560_100000204670 [1,0,0,1,0,0|2,0,0]=4 4224 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|2,0,0]=4 4225 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,0]=3 4226 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,0]=3 4227 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|2,0,0]=4 4228 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 4229 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 4230 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 4231 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 4232 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 4233 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|2,0,0]=4 4234 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|2,0,0]=4 4235 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [1,0,0,1,0,0|2,0,0]=4 4236 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [1,0,0,1,0,0|2,0,0]=4 4237 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [1,0,0,1,0,0|1,0,1]=4 4238 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 4239 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 4240 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [1,0,0,1,0,0|2,0,0]=4 4241 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [1,0,0,1,0,0|2,0,0]=4 4242 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [1,0,0,1,0,0|2,0,0]=4 4243 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [1,0,0,1,0,0|2,0,0]=4 4244 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [1,0,0,1,0,0|2,0,0]=4 4245 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|2,0,0]=4 4246 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|2,0,0]=4 4247 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|2,0,0]=4 4248 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|2,0,0]=4 4249 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|2,0,0]=4 4250 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|2,0,0]=4 4251 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,1]=4 4252 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 4253 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 4254 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 4255 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|0,0,1]=3 4256 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|0,0,1]=3 4257 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|0,1,1]=4 4258 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|0,1,1]=4 4259 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [1,0,0,1,0,0|1,0,1]=4 4260 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 4261 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 4262 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 4263 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|0,0,2]=4 4264 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|1,0,1]=4 4265 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|1,0,1]=4 4266 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 4267 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 4268 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 4269 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 4270 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 4271 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 4272 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|1,0,0]=3 4273 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 4274 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 4275 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 4276 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|1,0,0]=3 4277 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 4278 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|2,0,0]=4 4279 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|2,0,0]=4 4280 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|1,0,0]=3 4281 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|1,0,0]=3 4282 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 4283 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 4284 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 4285 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 4286 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|2,0,0]=4 4287 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|2,0,0]=4 4288 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|1,0,0]=3 4289 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|1,0,0]=3 4290 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|1,0,0]=3 4291 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,0]=3 4292 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 4293 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 4294 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 4295 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|1,0,0]=3 4296 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|1,0,0]=3 4297 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|1,0,0]=3 4298 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 4299 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 4300 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 4301 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|2,0,0]=4 4302 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 4303 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 4304 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [1,0,0,1,0,0|2,0,0]=4 4305 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|2,0,0]=4 4306 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|2,0,0]=4 4307 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|2,0,0]=4 4308 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|2,0,0]=4 4309 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|2,0,0]=4 4310 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [1,0,0,1,0,0|2,0,0]=4 4311 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|1,0,0]=3 4312 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [1,0,0,1,0,0|2,0,0]=4 4313 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|2,0,0]=4 4314 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|2,0,0]=4 4315 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|2,0,0]=4 4316 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 4317 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 4318 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,0,0,1,1,0|2,0,0]=4 4319 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,1|0,0,2]=4 4320 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,0,0,1,0,1|2,0,0]=4 4321 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,0,0,1,0,1|2,0,0]=4 4322 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,0,0,1,0,1|2,0,0]=4 4323 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,0,0,1,0,1|2,0,0]=4 4324 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,1,0,1|1,0,0]=3 4325 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,1,0,1|1,0,0]=3 4326 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,0,0,1,0,1|2,0,0]=4 4327 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,0,0,1,0,1|2,0,0]=4 4328 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,0,0,1,0,1|1,0,0]=3 4329 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,0,0,1,0,1|2,0,0]=4 4330 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,0,0,1,0,1|2,0,0]=4 4331 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,0,0,1,0,1|2,0,0]=4 4332 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,0,0,1,0,1|1,0,0]=3 4333 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,0,0,1,0,1|1,0,0]=3 4334 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,1|0,0,2]=4 4335 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [0,0,0,1,0,1|1,0,1]=4 4336 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [0,0,0,1,0,1|1,0,1]=4 4337 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,1|0,0,2]=4 4338 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,1|0,0,2]=4 4339 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,1|0,0,2]=4 4340 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,0,0,1,0,1|2,0,0]=4 4341 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,0,1|1,0,0]=3 4342 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,0,0,1,0,1|2,0,0]=4 4343 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,0,0,1,0,1|2,0,0]=4 4344 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 4345 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 4346 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 4347 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 4348 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 4349 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,0,0,1,0,1|2,0,0]=4 4350 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 4351 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 4352 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 4353 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 4354 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 4355 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,0,0,1,0,1|2,0,0]=4 4356 B10R1.138 CC#CC(=O)CCC1CO1 1458a_100000763181_100000732470 [0,0,0,1,0,1|1,0,1]=4 4357 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,0,0,1,0,1|1,0,1]=4 4358 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,0,1,0,1|2,0,0]=4 4359 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,0,1,0,1|2,0,0]=4 4360 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,0,0,1,0,1|1,0,0]=3 4361 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,0,0,1,0,1|2,0,0]=4 4362 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,0,0,1,0,1|2,0,0]=4 4363 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,0,0,1,0,1|2,0,0]=4 4364 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,0,0,1,0,1|2,0,0]=4 4365 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,0,0,1,0,1|2,0,0]=4 4366 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,0,1,0,1|2,0,0]=4 4367 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,0,1,0,1|2,0,0]=4 4368 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,0,1,0,1|2,0,0]=4 4369 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,0,0,1,0,1|2,0,0]=4 4370 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,0,0,1,0,1|2,0,0]=4 4371 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,0,0,1,0,1|2,0,0]=4 4372 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,0,0,1,0,1|2,0,0]=4 4373 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,0,0,1,0,1|2,0,0]=4 4374 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,0,0,1,0,1|2,0,0]=4 4375 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,0,0,1,0,1|2,0,0]=4 4376 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,0,0,1,0,1|2,0,0]=4 4377 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,1|1,0,0]=3 4378 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,1|1,0,0]=3 4379 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,0,0,1,0,1|2,0,0]=4 4380 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,0,0,1,0,1|2,0,0]=4 4381 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,0,0,1,0,1|2,0,0]=4 4382 B10R1.140 CC=CC(=O)N1CC(C1)O 11a_100000749847_100000210699 [0,0,0,1,0,1|1,0,1]=4 4383 B10R1.140 CC=CC(=O)N1CC(C1)O 240690a_100000749847_100000210699 [0,0,0,1,0,1|1,0,1]=4 4384 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,0,1|2,0,0]=4 4385 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,0,0,1,0,1|2,0,0]=4 4386 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,0,0,1,0,1|2,0,0]=4 4387 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,0,0,1,0,1|2,0,0]=4 4388 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,0,0,1,0,1|2,0,0]=4 4389 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,0,0,1,0,1|2,0,0]=4 4390 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,0,0,1,0,1|2,0,0]=4 4391 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,0,0,1,0,1|2,0,0]=4 4392 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,0,0,1,0,1|1,0,0]=3 4393 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,0,0,1,0,1|1,0,0]=3 4394 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,0,0,1,0,1|1,0,0]=3 4395 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,0,1|1,0,0]=3 4396 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,0,1|2,0,0]=4 4397 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,0,1|2,0,0]=4 4398 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,0,1|2,0,0]=4 4399 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,0,0,1,0,1|2,0,0]=4 4400 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,0,0,1,0,1|2,0,0]=4 4401 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,0,0,1,0,1|2,0,0]=4 4402 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,0,0,1,0,1|2,0,0]=4 4403 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,0,0,1,0,1|2,0,0]=4 4404 B10R1.140 CCNC(=O)N1CC(C1)F 2708a_100015525214_100000690557 [0,0,0,1,0,1|2,0,0]=4 4405 B10R1.140 CCNC(=O)N1CC(C1)F 273464a_100015525214_100000690557 [0,0,0,1,0,1|2,0,0]=4 4406 B10R1.140 CCNC(=O)N1CC(C1)O 2708a_100015525214_100000749847 [0,0,0,1,0,1|1,0,0]=3 4407 B10R1.140 CCNC(=O)N1CC(C1)O 273464a_100015525214_100000749847 [0,0,0,1,0,1|1,0,0]=3 4408 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,0,0,1,0,1|1,0,0]=3 4409 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,0,0,1,0,1|1,0,0]=3 4410 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,0,1|2,0,0]=4 4411 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,0,1|2,0,0]=4 4412 B10R1.140 CNCC(=O)N1CC(C1)O 2230a_106832991635_100013143841 [0,0,0,1,0,1|2,0,0]=4 4413 B10R1.140 CNCC(=O)N1CC(C1)O 34a_100102657272_100013143841 [0,0,0,1,0,1|2,0,0]=4 4414 B10R1.140 CNCC(=O)N1CC(C1)O 7a_106832991635_100013143841 [0,0,0,1,0,1|2,0,0]=4 4415 B10R1.140 CNNC(=O)[C@H]1C[C@H](C1)O 22a_100016993582_100015266633 [0,0,0,1,0,1|2,0,0]=4 4416 B10R1.140 COCC(=O)N1CC(C1)O 11a_100000749847_100000210968 [0,0,0,1,0,1|2,0,0]=4 4417 B10R1.140 COCC(=O)N1CC(C1)O 240690a_100000749847_100000210968 [0,0,0,1,0,1|2,0,0]=4 4418 B10R1.140 COCC(=O)N1CC(C1)O 34a_100138415774_100013143841 [0,0,0,1,0,1|2,0,0]=4 4419 B10R1.140 COCC(=O)N1CC(C1)O 527a_100000749847_100000210968 [0,0,0,1,0,1|2,0,0]=4 4420 B10R1.140 CSCC(=O)N1CC(C1)O 11a_100000749847_100000184570 [0,0,0,1,0,1|2,0,0]=4 4421 B10R1.140 CSCC(=O)N1CC(C1)O 240690a_100000749847_100000184570 [0,0,0,1,0,1|2,0,0]=4 4422 B10R1.140 CSCC(=O)N1CC(C1)O 527a_100000749847_100000184570 [0,0,0,1,0,1|2,0,0]=4 4423 B10R1.140 CSCC(=O)N1CC(C1)O 62a_100013143841_200000210301 [0,0,0,1,0,1|2,0,0]=4 4424 B10R1.140 O=C(CCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011217306 [0,0,0,1,0,1|2,0,0]=4 4425 B10R1.140 O=C(CCO)N1CC(C1)O 240690a_100000749847_100011216618 [0,0,0,1,0,1|2,0,0]=4 4426 B10R1.140 O=C(CCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000211926 [0,0,0,1,0,1|2,0,0]=4 4427 B10R1.140 [13CH3]SCC(=O)N1CC(C1)O 62a_100013143841_200025704644 [0,0,0,1,0,1|2,0,0]=4 4428 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,0,0,1,0,1|2,0,0]=4 4429 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [0,0,0,1,0,1|2,0,0]=4 4430 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [0,0,0,1,0,1|2,0,0]=4 4431 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [0,0,0,1,0,1|2,0,0]=4 4432 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [0,0,0,1,0,1|2,0,0]=4 4433 B10R1.211 CC(C)NCC(=O)C1CC1 2230a_100138425928_100000746382 [0,0,0,1,0,1|2,0,0]=4 4434 B10R1.211 CC(C)NCC(=O)C1CC1 34a_100138425928_100000746382 [0,0,0,1,0,1|2,0,0]=4 4435 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000212225_100000746382 [0,0,0,1,0,1|2,0,0]=4 4436 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000686663_100000210206 [0,0,0,1,0,1|2,0,0]=4 4437 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000210206_100000746382 [0,0,0,1,0,1|2,0,0]=4 4438 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000746382_100000210206 [0,0,0,1,0,1|2,0,0]=4 4439 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,0,0,1,0,1|1,0,0]=3 4440 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,0,0,1,0,1|2,0,0]=4 4441 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,0,0,1,0,1|1,0,0]=3 4442 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,0,0,1,0,1|1,0,0]=3 4443 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,0,0,1,0,1|1,0,0]=3 4444 B10R1.211 CC(O)CNC(=O)C1CO1 11a_100000210904_100000701028 [0,0,0,1,0,1|2,0,0]=4 4445 B10R1.211 CC(O)CNC(=O)C1CO1 240690a_100000210904_100000701028 [0,0,0,1,0,1|2,0,0]=4 4446 B10R1.211 CC(O)CNC(=O)C1CO1 527a_100000210904_100000701028 [0,0,0,1,0,1|2,0,0]=4 4447 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,0,0,1,0,1|2,0,0]=4 4448 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,0,0,1,0,1|2,0,0]=4 4449 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,0,0,1,0,1|2,0,0]=4 4450 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,0,0,1,0,1|2,0,0]=4 4451 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 34a_200000691454_200025704644 [0,1,0,1,0,0|1,0,1]=4 4452 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 7a_200000691454_200025704644 [0,1,0,1,0,0|1,0,1]=4 4453 B10R1.8 COC1CC(OC(C1)C)C 34a_200000691454_200000210301 [0,1,0,1,0,0|1,0,1]=4 4454 B10R1.8 COC1CC(OC(C1)C)C 7a_200000691454_200000210301 [0,1,0,1,0,0|1,0,1]=4 4455 B10R1.16 CCNN=C1CCC(C1)O 4a_100000756455_100012614533 [0,1,0,1,0,0|2,0,0]=4 4456 B10R1.16 CCOCN1CCC(C1)O 269982a_100011215560_100000739092 [0,1,0,1,0,0|2,0,0]=4 4457 B10R1.18 CC(O)CN1CCCOC1 2230a_100000131196_100011218427 [0,1,0,1,0,0|2,0,0]=4 4458 B10R1.18 CC(O)CN1CCCOC1 269982a_100000131196_100011218427 [0,1,0,1,0,0|2,0,0]=4 4459 B10R1.18 CC(O)CN1CCCOC1 34a_100000131196_100011218427 [0,1,0,1,0,0|2,0,0]=4 4460 B10R1.18 C[C@@H](O)CN1CCCOC1 2230a_100000131196_100009817552 [0,1,0,1,0,0|2,0,0]=4 4461 B10R1.18 C[C@@H](O)CN1CCCOC1 269982a_100000131196_100009817552 [0,1,0,1,0,0|2,0,0]=4 4462 B10R1.18 C[C@@H](O)CN1CCCOC1 34a_100000131196_100009817552 [0,1,0,1,0,0|2,0,0]=4 4463 B10R1.54 Cc1nc(no1)CC(C)O 270196a_100000755598_100000070787 [0,1,0,1,0,0|1,0,1]=4 4464 B10R1.54 Cc1noc(n1)C[C@@H](C)O 270196a_100000212224_100011933948 [0,1,0,1,0,0|1,0,1]=4 4465 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,1,0,1,0,0|2,0,0]=4 4466 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [0,1,0,1,0,0|2,0,0]=4 4467 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 4468 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 4469 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 4470 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100138425928_100015396687 [0,1,0,1,0,0|2,0,0]=4 4471 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100138425928_100015396687 [0,1,0,1,0,0|2,0,0]=4 4472 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100138425928_100015396687 [0,1,0,1,0,0|2,0,0]=4 4473 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,1,0,1,0,0|1,0,0]=3 4474 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,1,0,1,0,0|1,0,0]=3 4475 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,1,0,1,0,0|1,0,1]=4 4476 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,1,0,1,0,0|0,0,1]=3 4477 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,1,0,1,0,0|0,1,1]=4 4478 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,1,0,1,0,0|0,1,1]=4 4479 B10R1.180 C#CCCC(=O)CC1CO1 1458a_100000692101_100011216344 [0,1,0,1,0,0|1,0,1]=4 4480 B10R1.180 C#CCCC(=O)C[C@@H]1CO1 1458a_100000692101_100000745022 [0,1,0,1,0,0|1,0,1]=4 4481 B10R1.180 C=CCCC(=O)CC1CO1 1458a_100000749702_100011216344 [0,1,0,1,0,0|1,0,1]=4 4482 B10R1.180 C=CCCC(=O)C[C@@H]1CO1 1458a_100000749702_100000745022 [0,1,0,1,0,0|1,0,1]=4 4483 B10R1.180 CC=CCC(=O)CC1CO1 1458a_100121576822_100011216344 [0,1,0,1,0,0|1,0,1]=4 4484 B10R1.180 CC=CCC(=O)C[C@@H]1CO1 1458a_100121576822_100000745022 [0,1,0,1,0,0|1,0,1]=4 4485 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [0,1,0,1,0,0|2,0,0]=4 4486 B10R1.180 CCC#CC(=O)CC1CO1 1458a_100011827653_100011216344 [0,1,0,1,0,0|1,0,0]=3 4487 B10R1.180 CCC#CC(=O)CC1CS1 1458a_100011827653_100000031435 [0,1,0,1,0,0|1,1,0]=4 4488 B10R1.180 CCC#CC(=O)C[C@@H]1CO1 1458a_100011827653_100000745022 [0,1,0,1,0,0|1,0,0]=3 4489 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,1,0,1,0,0|2,0,0]=4 4490 B10R1.180 CCC=CC(=O)CC1CO1 1458a_100000212282_100011216344 [0,1,0,1,0,0|1,0,0]=3 4491 B10R1.180 CCC=CC(=O)CC1CS1 1458a_100000212282_100000031435 [0,1,0,1,0,0|1,1,0]=4 4492 B10R1.180 CCC=CC(=O)C[C@@H]1CO1 1458a_100000212282_100000745022 [0,1,0,1,0,0|1,0,0]=3 4493 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,1,0,1,0,0|2,0,0]=4 4494 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,1,0,1,0,0|2,0,0]=4 4495 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|1,0,0]=3 4496 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,1,0,1,0,0|1,1,0]=4 4497 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|1,0,0]=3 4498 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 4499 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 4500 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 4501 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 4502 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [0,1,0,1,0,0|2,0,0]=4 4503 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,1,0,1,0,0|1,0,0]=3 4504 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|0,0,0]=2 4505 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,1,0,1,0,0|0,1,0]=3 4506 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|0,0,0]=2 4507 B10R1.180 CCOCC(=O)NC1CC1 1626a_100000212008_100000211967 [0,1,0,1,0,0|2,0,0]=4 4508 B10R1.180 CCOCC(=O)NC1CC1 240690a_100000212008_100000211967 [0,1,0,1,0,0|2,0,0]=4 4509 B10R1.180 CCOCC(=O)NC1CC1 34a_100121572206_100000182950 [0,1,0,1,0,0|2,0,0]=4 4510 B10R1.180 CCOCC(=O)NC1CC1 527a_100000212008_100000211967 [0,1,0,1,0,0|2,0,0]=4 4511 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [0,1,0,1,0,0|1,1,0]=4 4512 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [0,1,0,1,0,0|0,1,0]=3 4513 B10R1.180 CCSCC(=O)CC1CS1 1458a_100000230394_100000031435 [0,1,0,1,0,0|0,2,0]=4 4514 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [0,1,0,1,0,0|0,1,0]=3 4515 B10R1.180 COC=CC(=O)CC1CO1 1458a_100016268678_100011216344 [0,1,0,1,0,0|1,0,1]=4 4516 B10R1.180 COC=CC(=O)C[C@@H]1CO1 1458a_100016268678_100000745022 [0,1,0,1,0,0|1,0,1]=4 4517 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [0,1,0,1,0,0|2,0,0]=4 4518 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [0,1,0,1,0,0|2,0,0]=4 4519 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,1,0,1,0,0|1,0,0]=3 4520 B10R1.180 COCCC(=O)CC1CS1 1458a_100000749529_100000031435 [0,1,0,1,0,0|1,1,0]=4 4521 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,1,0,1,0,0|1,0,0]=3 4522 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [0,1,0,1,0,0|2,0,0]=4 4523 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [0,1,0,1,0,0|2,0,0]=4 4524 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,1,0,1,0,0|1,0,0]=3 4525 B10R1.180 CSCCC(=O)CC1CS1 1458a_100000174002_100000031435 [0,1,0,1,0,0|1,1,0]=4 4526 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,1,0,1,0,0|1,0,0]=3 4527 B10R1.180 N#CCCC(=O)CC1CO1 1458a_100011934036_100011216344 [0,1,0,1,0,0|1,0,1]=4 4528 B10R1.180 N#CCCC(=O)C[C@@H]1CO1 1458a_100011934036_100000745022 [0,1,0,1,0,0|1,0,1]=4 4529 B10R1.180 O=C(C#CCO)CC1CO1 1458a_100000049017_100011216344 [0,1,0,1,0,0|1,0,1]=4 4530 B10R1.180 O=C(C#CCO)C[C@@H]1CO1 1458a_100000049017_100000745022 [0,1,0,1,0,0|1,0,1]=4 4531 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 4532 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 4533 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 4534 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 4535 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,1,0,1,0,0|2,0,0]=4 4536 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,1,0,1,0,0|2,0,0]=4 4537 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [0,1,0,1,0,0|2,0,0]=4 4538 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,1,0,1,0,0|2,0,0]=4 4539 B10R1.218 CCOCN1CC(C1)(C)O 269982a_100000718560_100000739092 [0,1,0,1,0,0|2,0,0]=4 4540 B10R1.266 C=C(C)CC(=O)C1CCO1 1458a_100000089072_100000748629 [0,1,0,1,0,0|1,0,1]=4 4541 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,1,0,1,0,0|2,0,0]=4 4542 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,1,0,1,0,0|2,0,0]=4 4543 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,1,0,1,0,0|1,0,0]=3 4544 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [0,1,0,1,0,0|2,0,0]=4 4545 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [0,1,0,1,0,0|2,0,0]=4 4546 B10R1.266 CC(C)CC(=O)N1CCC1 11a_100000754969_100000210554 [0,1,0,1,0,0|2,0,0]=4 4547 B10R1.266 CC(C)CC(=O)N1CCC1 240690a_100000754969_100000210554 [0,1,0,1,0,0|2,0,0]=4 4548 B10R1.266 CC(C)CC(=O)N1CCC1 527a_100000754969_100000210554 [0,1,0,1,0,0|2,0,0]=4 4549 B10R1.266 CC(C)NC(=O)C1CCO1 11a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 4550 B10R1.266 CC(C)NC(=O)C1CCO1 1626a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 4551 B10R1.266 CC(C)NC(=O)C1CCO1 240690a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 4552 B10R1.266 CC(C)NC(=O)C1CCO1 527a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 4553 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,1,0,1,0,0|1,0,0]=3 4554 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,1,0,1,0,0|0,0,0]=2 4555 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [0,1,0,1,0,0|1,0,0]=3 4556 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,1,0,1,0,0|1,0,0]=3 4557 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [0,1,0,1,0,0|1,0,0]=3 4558 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [0,1,0,1,0,0|1,0,0]=3 4559 B10R1.266 O=C(CC(F)F)C1CCO1 1458a_100000089072_100011934356 [0,1,0,1,0,0|2,0,0]=4 4560 B10R1.268 CC(=CC(=O)CC1CO1)C 1458a_100000211388_100011216344 [0,1,0,1,0,0|1,0,1]=4 4561 B10R1.268 CC(=CC(=O)CC1CO1)Cl 1458a_200042562850_100011216344 [0,1,0,1,0,0|1,0,1]=4 4562 B10R1.268 CC(=CC(=O)CC1CO1)I 1458a_100025716642_100011216344 [0,1,0,1,0,0|1,0,1]=4 4563 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)C 1458a_100000211388_100000745022 [0,1,0,1,0,0|1,0,1]=4 4564 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)Cl 1458a_200042562850_100000745022 [0,1,0,1,0,0|1,0,1]=4 4565 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)I 1458a_100025716642_100000745022 [0,1,0,1,0,0|1,0,1]=4 4566 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,1,0,1,0,0|2,0,0]=4 4567 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,1,0,1,0,0|2,0,0]=4 4568 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,1,0,1,0,0|1,0,0]=3 4569 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [0,1,0,1,0,0|1,1,0]=4 4570 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,1,0,1,0,0|1,0,0]=3 4571 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [0,1,0,1,0,0|2,0,0]=4 4572 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [0,1,0,1,0,0|2,0,0]=4 4573 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [0,1,0,1,0,0|2,0,0]=4 4574 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 4575 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 4576 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 4577 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 4578 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,1,0,1,0,0|1,0,0]=3 4579 B10R1.268 CN(C)CC(=O)CC1CO1 1458a_100000750896_100011216344 [0,1,0,1,0,0|2,0,0]=4 4580 B10R1.268 CN(C)CC(=O)C[C@@H]1CO1 1458a_100000750896_100000745022 [0,1,0,1,0,0|2,0,0]=4 4581 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,1,0,1,0,0|1,0,0]=3 4582 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,1,0,1,0,0|1,0,0]=3 4583 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,1,0,1,0,0|1,0,0]=3 4584 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,1,0,1,0,0|1,0,0]=3 4585 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [0,1,0,1,0,0|1,0,0]=3 4586 B10R1.268 C[S+](C)CC(=O)CC1CO1 1458a_200159257847_100011216344 [0,1,0,1,0,0|2,0,0]=4 4587 B10R1.268 C[S+](C)CC(=O)C[C@@H]1CO1 1458a_200159257847_100000745022 [0,1,0,1,0,0|2,0,0]=4 4588 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,1,0,1,0,0|2,0,0]=4 4589 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,1,0,1,0,0|2,0,0]=4 4590 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 4591 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 4592 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 4593 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,1,0,1,0,0|2,0,0]=4 4594 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|2,0,0]=4 4595 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|2,0,0]=4 4596 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,1,0,1,0,0|2,0,0]=4 4597 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,1,0,1,0,0|2,0,0]=4 4598 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,1,0,1,0,0|2,0,0]=4 4599 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 4600 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 4601 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 4602 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [0,1,0,1,0,0|2,0,0]=4 4603 B10R1.293 CCNNC(=O)[C@@H]1C[C@@H]1F 22a_100000756455_100015396687 [0,1,0,1,0,0|2,0,0]=4 4604 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,1,0,1,0,0|2,0,0]=4 4605 B10R1.293 COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233755 [0,1,0,1,0,0|2,0,0]=4 4606 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [0,1,0,1,0,0|2,0,0]=4 4607 B10R1.293 CSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000751147 [0,1,0,1,0,0|2,0,0]=4 4608 B10R1.293 O=C(CCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011934791 [0,1,0,1,0,0|2,0,0]=4 4609 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [0,1,0,1,0,0|2,0,0]=4 4610 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 11a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 4611 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 240690a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 4612 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 527a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 4613 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 240690a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 4614 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 527a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 4615 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,1,0,1,0,0|1,0,1]=4 4616 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,1,0,1,0,0|1,0,1]=4 4617 B10R1.184 C/C=C(\C)/C(=O)CC1CO1 1458a_100020587367_100011216344 [0,1,0,1,0,0|1,0,1]=4 4618 B10R1.184 C/C=C(\C)/C(=O)C[C@@H]1CO1 1458a_100020587367_100000745022 [0,1,0,1,0,0|1,0,1]=4 4619 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|2,0,0]=4 4620 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|2,0,0]=4 4621 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,1,0,1,0,0|1,0,0]=3 4622 B10R1.184 CCC(C)C(=O)CC1CS1 1458a_100011192722_100000031435 [0,1,0,1,0,0|1,1,0]=4 4623 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,1,0,1,0,0|1,0,0]=3 4624 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|2,0,0]=4 4625 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|1,0,0]=3 4626 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|1,1,0]=4 4627 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|1,0,0]=3 4628 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 4629 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 4630 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 4631 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 4632 B10R1.184 CNC(=O)C(=O)CC1CO1 1458a_100011218921_100011216344 [0,1,0,1,0,0|2,0,0]=4 4633 B10R1.184 CNC(=O)C(=O)C[C@@H]1CO1 1458a_100011218921_100000745022 [0,1,0,1,0,0|2,0,0]=4 4634 B10R1.184 COC(C)C(=O)CC1CO1 1458a_100000743197_100011216344 [0,1,0,1,0,0|2,0,0]=4 4635 B10R1.184 COC(C)C(=O)C[C@@H]1CO1 1458a_100000743197_100000745022 [0,1,0,1,0,0|2,0,0]=4 4636 B10R1.184 CSC(C)C(=O)CC1CO1 1458a_100000149566_100011216344 [0,1,0,1,0,0|2,0,0]=4 4637 B10R1.184 CSC(C)C(=O)C[C@@H]1CO1 1458a_100000149566_100000745022 [0,1,0,1,0,0|2,0,0]=4 4638 B10R1.184 O=C(CC1CO1)C(O)CO 1458a_100011215603_100011216344 [0,1,0,1,0,0|2,0,0]=4 4639 B10R1.184 O=C(C[C@@H]1CO1)C(O)CO 1458a_100011215603_100000745022 [0,1,0,1,0,0|2,0,0]=4 4640 B10R1.267 CC(C)CC(=O)C1(CC1)C 1458a_100000756474_100000210624 [0,1,0,1,0,0|2,0,0]=4 4641 B10R1.267 CC(C)CC(=O)C1(CC1)F 1458a_100000055089_100000210624 [0,1,0,1,0,0|2,0,0]=4 4642 B10R1.267 CC(C)CC(=O)C1(CC1)O 1458a_100000241761_100000210624 [0,1,0,1,0,0|2,0,0]=4 4643 B10R1.267 CC(O)CC(=O)C1(CC1)C 1458a_100000756474_100011218427 [0,1,0,1,0,0|1,0,0]=3 4644 B10R1.267 CC(O)CC(=O)C1(CC1)F 1458a_100000055089_100011218427 [0,1,0,1,0,0|1,0,0]=3 4645 B10R1.267 CC(O)CC(=O)C1(CC1)O 1458a_100000241761_100011218427 [0,1,0,1,0,0|1,0,0]=3 4646 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|2,0,0]=4 4647 B10R1.461 CCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000758301 [0,1,0,1,0,0|2,0,0]=4 4648 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 4649 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 4650 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 4651 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 4652 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 4653 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 4654 B10R1.35 CCN1CC(CC1=O)NC 2230a_100015184948_200000210301 [0,1,0,1,0,0|2,0,0]=4 4655 B10R1.35 CCN1CC(CC1=O)NC 34a_100015184948_200000210301 [0,1,0,1,0,0|2,0,0]=4 4656 B10R1.35 CCN1CC(CC1=O)N[13CH3] 2230a_100015184948_200025704644 [0,1,0,1,0,0|2,0,0]=4 4657 B10R1.35 CCN1CC(CC1=O)N[13CH3] 34a_100015184948_200025704644 [0,1,0,1,0,0|2,0,0]=4 4658 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|2,0,0]=4 4659 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|1,0,0]=3 4660 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,1,0,1,0,0|2,0,0]=4 4661 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|2,0,0]=4 4662 B10R1.134 C[C@@H](CO)CC(=O)C1CC1 1458a_100000210395_100000059175 [0,1,0,1,0,0|1,0,0]=3 4663 B10R1.134 C[C@@H](CO)CC(=O)C1CO1 1458a_100000701028_100000059175 [0,1,0,1,0,0|2,0,0]=4 4664 B10R1.134 C[C@H](CO)NC(=O)C1CC1 240690a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 4665 B10R1.134 C[C@H](CO)NC(=O)C1CC1 527a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 4666 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|2,0,0]=4 4667 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,1,0,1,0,0|2,0,0]=4 4668 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 4669 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 4670 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 4671 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 11a_100015525214_100015294237 [0,1,0,1,0,0|2,0,0]=4 4672 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100015525214_100015294237 [0,1,0,1,0,0|2,0,0]=4 4673 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [0,1,0,1,0,0|1,0,1]=4 4674 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,1,0,1,0,0|1,0,1]=4 4675 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,1,0,1,0,0|1,0,1]=4 4676 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,1,0,1,0,0|1,0,1]=4 4677 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|2,0,0]=4 4678 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|2,0,0]=4 4679 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|1,0,0]=3 4680 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|1,0,0]=3 4681 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|1,0,0]=3 4682 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 4683 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 4684 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 4685 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 4686 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 4687 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 4688 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 4689 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|1,0,0]=3 4690 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 4691 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 4692 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 4693 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 4694 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 4695 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 4696 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|2,0,0]=4 4697 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,1,0,1,0,0|2,0,0]=4 4698 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|2,0,0]=4 4699 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|2,0,0]=4 4700 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|2,0,0]=4 4701 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,1,0,1,0,0|2,0,0]=4 4702 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,1,0,1,0,0|2,0,0]=4 4703 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|2,0,0]=4 4704 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|2,0,0]=4 4705 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|2,0,0]=4 4706 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|0,0,2]=4 4707 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 4708 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 4709 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,1,0,1,0,0|0,0,2]=4 4710 B10R1.181 CC#CC(=O)CC1(CO1)C 1458a_100000763181_100000760498 [0,1,0,1,0,0|1,0,1]=4 4711 B10R1.181 CC1(CO1)CC(=O)CCO 1458a_100011216618_100000760498 [0,1,0,1,0,0|2,0,0]=4 4712 B10R1.181 CC=CC(=O)CC1(CO1)C 1458a_100000210699_100000760498 [0,1,0,1,0,0|1,0,1]=4 4713 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,1,0,1,0,0|2,0,0]=4 4714 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [0,1,0,1,0,0|1,0,0]=3 4715 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 4716 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 4717 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 4718 B10R1.181 COCC(=O)CC1(CO1)C 1458a_100000210968_100000760498 [0,1,0,1,0,0|2,0,0]=4 4719 B10R1.181 CSCC(=O)CC1(CO1)C 1458a_100000184570_100000760498 [0,1,0,1,0,0|2,0,0]=4 4720 B10R2.485 O=C(CC1CC1)C2CC2 1458a_100000210395_100000742324 [0,0,0,2,0,0|2,0,0]=4 4721 B10R2.485 O=C(CC1CO1)C2CC2 1458a_100000210395_100011216344 [0,0,0,2,0,0|1,0,0]=3 4722 B10R2.485 O=C(CC1CO1)C2CO2 1458a_100000701028_100011216344 [0,0,0,2,0,0|2,0,0]=4 4723 B10R2.485 O=C(CC1CS1)C2CC2 1458a_100000210395_100000031435 [0,0,0,2,0,0|1,1,0]=4 4724 B10R2.485 O=C(C[C@@H]1CO1)C2CC2 1458a_100000210395_100000745022 [0,0,0,2,0,0|1,0,0]=3 4725 B10R2.485 O=C(C[C@@H]1CO1)C2CO2 1458a_100000701028_100000745022 [0,0,0,2,0,0|2,0,0]=4 4726 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,1,0|1,0,1]=4 4727 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,0,0,1,0|2,0,0]=4 4728 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,1,0|2,0,0]=4 4729 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [1,0,0,0,1,0|2,0,0]=4 4730 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,1,0|1,0,0]=3 4731 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,1,0|1,0,0]=3 4732 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,1,0|1,0,0]=3 4733 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,0,0,1,0|1,0,0]=3 4734 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4735 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4736 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4737 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4738 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,1,0|0,0,0]=2 4739 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,1,0|0,0,0]=2 4740 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,0,0,1,0|2,0,0]=4 4741 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,0,0,1,0|2,0,0]=4 4742 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,0,0,1,0|2,0,0]=4 4743 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,0,0,1,0|2,0,0]=4 4744 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,0,0,0,1,0|2,0,0]=4 4745 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,0,0,0,1,0|2,0,0]=4 4746 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,0,0,0,1,0|2,0,0]=4 4747 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,0,0,0,1,0|2,0,0]=4 4748 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [1,0,0,0,1,0|2,0,0]=4 4749 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,0,0,1,0|1,0,0]=3 4750 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,0,0,1,0|1,0,0]=3 4751 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,0,0,1,0|1,0,0]=3 4752 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,1,0|1,0,0]=3 4753 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,1,0|1,0,0]=3 4754 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [1,0,0,0,1,0|2,0,0]=4 4755 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,0,0,0,0,2|1,0,1]=4 4756 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,0,0,0,0,2|1,0,1]=4 4757 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,0,0,0,0,2|1,0,1]=4 4758 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,0,0,0,0,2|0,0,2]=4 4759 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,0,0,0,0,2|0,0,2]=4 4760 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,0,0,0,0,2|0,0,2]=4 4761 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,0,0,0,0,2|0,0,2]=4 4762 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,0,0,0,0,2|0,0,2]=4 4763 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,0,0,0,0,2|0,0,2]=4 4764 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,0,0,0,0,2|1,0,1]=4 4765 B10R0.3 CC#CC(=O)NNCC(C)O 22a_200000730056_100000763181 [0,0,0,0,0,2|1,0,1]=4 4766 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,0,0,0,0,2|2,0,0]=4 4767 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,0,0,0,0,2|2,0,0]=4 4768 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,0,0,0,0,2|2,0,0]=4 4769 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,0,0,0,0,2|2,0,0]=4 4770 B10R0.3 CC(O)CNNC(=O)CCO 22a_200000730056_100011216618 [0,0,0,0,0,2|2,0,0]=4 4771 B10R0.3 CC(O)CSCC(=O)NCO 62a_100000185155_100011218427 [0,0,0,0,0,2|2,0,0]=4 4772 B10R0.3 CC(O)CSCC(=O)NCO 62a_100011218427_100000185155 [0,0,0,0,0,2|2,0,0]=4 4773 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,0,0,0,0,2|1,0,1]=4 4774 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,0,0,0,0,2|1,0,1]=4 4775 B10R0.3 CC=CC(=O)NNCC(C)O 22a_200000730056_100000210699 [0,0,0,0,0,2|1,0,1]=4 4776 B10R0.3 CCCC(=NNCC(C)O)C 4a_200000730056_100000211909 [0,0,0,0,0,2|2,0,0]=4 4777 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,0,0,0,0,2|2,0,0]=4 4778 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,0,0,0,0,2|2,0,0]=4 4779 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,0,0,0,0,2|2,0,0]=4 4780 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,0,0,0,0,2|1,0,0]=3 4781 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,2|2,0,0]=4 4782 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,0,0,0,0,2|2,0,0]=4 4783 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,0,0,0,0,2|2,0,0]=4 4784 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,0,0,0,0,2|1,0,0]=3 4785 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,0,0,0,0,2|2,0,0]=4 4786 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,0,0,0,0,2|2,0,0]=4 4787 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,0,0,0,0,2|2,0,0]=4 4788 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,0,0,0,0,2|1,0,0]=3 4789 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,0,0,0,0,2|1,0,0]=3 4790 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,0,0,0,0,2|1,0,0]=3 4791 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,0,0,0,0,2|1,0,0]=3 4792 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,0,0,0,0,2|2,0,0]=4 4793 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,0,0,0,0,2|2,0,0]=4 4794 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,0,0,0,0,2|2,0,0]=4 4795 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,0,0,0,0,2|2,0,0]=4 4796 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,0,0,0,0,2|1,0,0]=3 4797 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,0,0,0,0,2|1,0,0]=3 4798 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,0,0,0,0,2|2,0,0]=4 4799 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,0,0,0,0,2|1,0,0]=3 4800 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,0,0,0,0,2|2,0,0]=4 4801 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,0,0,0,0,2|2,0,0]=4 4802 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,0,0,0,0,2|2,0,0]=4 4803 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,0,0,0,0,2|2,0,0]=4 4804 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,0,0,0,0,2|2,0,0]=4 4805 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,0,0,0,0,2|2,0,0]=4 4806 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,0,0,0,0,2|2,0,0]=4 4807 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,0,0,0,0,2|2,0,0]=4 4808 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,0,0,0,0,2|2,0,0]=4 4809 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,0,0,0,0,2|1,0,0]=3 4810 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,0,0,0,0,2|2,0,0]=4 4811 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,0,0,0,0,2|2,0,0]=4 4812 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,0,0,0,0,2|2,0,0]=4 4813 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,0,0,0,0,2|2,0,0]=4 4814 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,0,0,0,0,2|2,0,0]=4 4815 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,0,0,0,0,2|2,0,0]=4 4816 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,0,0,0,0,2|2,0,0]=4 4817 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,0,0,0,0,2|2,0,0]=4 4818 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,0,0,0,0,2|1,0,0]=3 4819 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,0,0,0,0,2|1,0,0]=3 4820 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,0,0,0,0,2|1,0,0]=3 4821 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,0,0,0,0,2|1,0,0]=3 4822 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,0,0,0,0,2|2,0,0]=4 4823 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,0,0,0,0,2|2,0,0]=4 4824 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,0,0,0,0,2|2,0,0]=4 4825 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,0,0,0,0,2|2,0,0]=4 4826 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,0,0,0,0,2|2,0,0]=4 4827 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,0,0,0,0,2|2,0,0]=4 4828 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,0,0,0,0,2|2,0,0]=4 4829 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,0,0,0,0,2|2,0,0]=4 4830 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,0,0,0,0,2|2,0,0]=4 4831 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,0,0,0,0,2|2,0,0]=4 4832 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,0,0,0,0,2|1,0,0]=3 4833 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,0,0,0,0,2|1,0,0]=3 4834 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,0,0,0,0,2|1,0,0]=3 4835 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,0,0,0,0,2|1,0,0]=3 4836 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,0,0,0,0,2|2,0,0]=4 4837 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,0,0,0,0,2|2,0,0]=4 4838 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,0,0,0,0,2|2,0,0]=4 4839 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,0,0,0,0,2|2,0,0]=4 4840 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,0,0,0,0,2|2,0,0]=4 4841 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,0,0,0,0,2|2,0,0]=4 4842 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,0,0,0,0,2|1,0,0]=3 4843 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,0,0,0,0,2|1,0,0]=3 4844 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,0,0,0,0,2|1,0,0]=3 4845 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,0,0,0,0,2|1,0,0]=3 4846 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,0,0,0,0,2|2,0,0]=4 4847 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,0,0,0,0,2|2,0,0]=4 4848 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,0,0,0,0,2|2,0,0]=4 4849 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,0,0,0,0,2|1,0,0]=3 4850 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,0,0,0,0,2|1,0,0]=3 4851 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,0,0,0,0,2|2,0,0]=4 4852 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,0,0,0,0,2|2,0,0]=4 4853 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,0,0,0,0,2|1,0,1]=4 4854 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,2|0,0,2]=4 4855 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,2|0,0,2]=4 4856 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,2|0,0,2]=4 4857 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,0,0,0,0,2|2,0,0]=4 4858 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,0,0,0,0,2|2,0,0]=4 4859 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,2|0,0,2]=4 4860 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,0,0,0,0,2|1,0,0]=3 4861 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,0,0,0,0,2|1,0,0]=3 4862 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,0,0,0,0,2|1,0,0]=3 4863 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,0,0,0,0,2|1,0,0]=3 4864 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,0,0,0,0,2|1,0,0]=3 4865 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,0,0,0,0,2|1,0,1]=4 4866 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,0,0,0,0,2|1,0,0]=3 4867 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,0,0,0,0,2|1,0,0]=3 4868 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,0,0,0,0,2|0,0,0]=2 4869 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,0,0,0,0,2|0,0,0]=2 4870 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,0,0,0,0,2|2,0,0]=4 4871 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,0,0,0,0,2|0,0,2]=4 4872 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,0,0,0,0,2|1,0,0]=3 4873 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,0,0,0,0,2|1,0,0]=3 4874 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,0,0,0,0,2|1,0,0]=3 4875 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,0,0,0,0,2|2,0,0]=4 4876 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,0,0,0,0,2|1,0,0]=3 4877 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,0,0,0,0,2|1,0,0]=3 4878 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,0,0,0,0,2|1,0,0]=3 4879 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,0,0,0,0,2|1,0,0]=3 4880 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,0,0,0,0,2|0,0,0]=2 4881 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,0,0,0,0,2|0,0,0]=2 4882 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,0,0,0,0,2|2,0,0]=4 4883 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,0,0,0,0,2|2,0,0]=4 4884 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,0,0,0,0,2|0,0,0]=2 4885 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,0,0,0,0,2|0,0,0]=2 4886 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,2|0,0,2]=4 4887 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,0,0,0,0,2|2,0,0]=4 4888 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,0,0,0,0,2|1,0,0]=3 4889 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,0,0,0,0,2|2,0,0]=4 4890 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,0,0,0,0,2|2,0,0]=4 4891 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,0,0,0,0,2|2,0,0]=4 4892 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,0,0,0,0,2|2,0,0]=4 4893 B10R0.3 CNNC(=O)NNCC(C)O 512a_100016993582_200000730056 [0,0,0,0,0,2|2,0,0]=4 4894 B10R0.3 CNNC(=O)NNCC(C)O 512a_200000730056_100016993582 [0,0,0,0,0,2|2,0,0]=4 4895 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,0,0,0,0,2|2,0,0]=4 4896 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,0,0,0,0,2|2,0,0]=4 4897 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,0,0,0,0,2|2,0,0]=4 4898 B10R0.3 COCC(=O)NNCC(C)O 22a_200000730056_100000210968 [0,0,0,0,0,2|2,0,0]=4 4899 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,0,0,0,0,2|2,0,0]=4 4900 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,0,0,0,0,2|2,0,0]=4 4901 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,0,0,0,0,2|2,0,0]=4 4902 B10R0.3 CSCC(=O)NNCC(C)O 22a_200000730056_100000184570 [0,0,0,0,0,2|2,0,0]=4 4903 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100000185155_100009817552 [0,0,0,0,0,2|2,0,0]=4 4904 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100009817552_100000185155 [0,0,0,0,0,2|2,0,0]=4