0 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.5 C#CCC(=O)CN(C)C 1458a_100000750896_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.5 C#CCC(=O)C[S+](C)C 1458a_200159257847_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,0,0,0,0|1,0,3]=4 28 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,0,0,0,0,0|1,0,1]=2 31 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.5 CC#CC(=O)CC(F)F 1458a_100000763181_100011934356 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,0,0,0,0,0|2,0,1]=3 46 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,0,0,0,0,0|2,1,1]=4 47 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,0,0,0,0,0|2,1,1]=4 48 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,0,0,0,0,0|4,0,0]=4 54 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,0,0,0,0,0|3,0,0]=3 69 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,0,0,0,0,0|1,0,1]=2 80 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,0,0,0,0,0|2,0,1]=3 81 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,0,0,0,0,0|2,0,1]=3 83 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,0,0,0,0,0|2,0,1]=3 84 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,0,0,0,0,0|2,0,1]=3 85 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,0,0|1,0,2]=3 86 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,0|2,0,1]=3 89 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,0,0|1,0,0]=1 93 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,0,0|1,0,0]=1 94 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,0,0|2,0,0]=2 95 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,0,0,0,0,0|3,0,0]=3 96 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,0,0|2,0,0]=2 97 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,0,0|2,0,0]=2 98 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,0,0|2,0,0]=2 99 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,0,0|2,0,0]=2 100 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,0,0|2,0,0]=2 102 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,0,0|2,0,0]=2 103 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,0,0|2,0,0]=2 105 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,0,0|2,0,0]=2 106 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,0,0,0,0,0|4,0,0]=4 123 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,0,0,0,0,0|4,0,0]=4 124 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,0,0,0,0,0|4,0,0]=4 125 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,0,0,0,0,0|4,0,0]=4 126 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,0,0,0,0,0|4,0,0]=4 127 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,0,0,0,0,0|4,0,0]=4 128 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,0,0|1,0,2]=3 131 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,0,0|1,0,2]=3 132 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,0,0|2,0,1]=3 136 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,0,0|1,0,0]=1 139 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,0,0|1,0,0]=1 140 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,0,0|1,0,0]=1 141 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,0,0|2,0,0]=2 142 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,0,0|2,0,0]=2 143 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,0,0|2,0,0]=2 144 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,0,0|2,0,0]=2 145 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,0,0|2,0,0]=2 146 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,0,0|2,0,0]=2 147 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,0,0|2,0,0]=2 148 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,0,0|2,0,0]=2 149 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,0,0|2,0,0]=2 150 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,0,0|2,0,0]=2 151 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,0,0|2,0,0]=2 152 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,0,0|2,0,0]=2 153 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,0,0|2,0,0]=2 154 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,0,0|2,0,0]=2 155 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,0,0|2,0,0]=2 156 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,0,0|2,0,0]=2 157 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,0,0|2,0,0]=2 158 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,0,0|2,0,0]=2 159 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,0,0,0,0,0|2,0,1]=3 161 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,0,0|1,0,1]=2 162 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,0,0|1,0,1]=2 163 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,0,0|1,0,1]=2 164 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,0,0|1,0,0]=1 165 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,0,0|1,0,0]=1 166 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,0,0|1,0,0]=1 167 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,0,0|1,0,0]=1 168 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,0,0,0,0,0|1,0,3]=4 169 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,0,0,0,0,0|1,0,1]=2 170 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,0,0,0,0,0|1,0,1]=2 171 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,0,0,0,0,0|1,0,1]=2 172 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,0,0,0,0,0|1,1,1]=3 173 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,0,0,0,0,0|1,1,1]=3 174 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,0,0,0,0,0|2,1,1]=4 175 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,0,0,0,0,0|2,1,1]=4 176 B8R0.5 CN(C)CC(=O)CC#N 1458a_100000750896_100011214920 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,0,0,0,0,0|3,0,0]=3 178 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,0,0,0,0,0|3,0,0]=3 179 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,0,0,0,0,0|3,0,0]=3 180 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,0,0,0,0,0|3,0,0]=3 181 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,0,0,0,0,0|3,0,0]=3 182 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,0,0,0,0,0|3,0,0]=3 183 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,0,0,0,0,0|3,0,0]=3 184 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,0,0,0,0,0|3,0,0]=3 185 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,0,0,0,0,0|3,0,0]=3 186 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,0,0,0,0,0|2,0,0]=2 190 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,0,0,0,0,0|3,0,0]=3 191 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,0,0,0,0,0|3,0,0]=3 193 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,0,0,0,0,0|3,0,0]=3 194 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,0,0,0,0,0|3,0,0]=3 195 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,0,0,0,0,0|3,0,0]=3 196 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,0,0,0,0,0|2,0,0]=2 197 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,0,0,0,0,0|4,0,0]=4 199 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,0,0,0,0,0|3,0,0]=3 200 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,0,0,0,0,0|3,0,0]=3 201 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,0,0,0,0,0|3,0,0]=3 202 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,0,0,0,0,0|3,0,0]=3 203 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,0,0,0,0,0|3,0,0]=3 204 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,0,0,0,0,0|3,0,0]=3 205 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [0,0,0,0,0,0|4,0,0]=4 207 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,0,0,0,0,0|2,0,0]=2 209 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,0,0,0,0,0|3,0,0]=3 210 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,0,0,0,0,0|4,0,0]=4 211 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,0,0,0,0,0|3,0,0]=3 212 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,0,0,0,0,0|3,0,0]=3 213 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,0,0,0,0,0|3,0,0]=3 214 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,0,0,0,0,0|3,0,0]=3 215 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,0,0,0,0,0|3,0,0]=3 216 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,0,0,0,0,0|3,0,0]=3 217 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,0,0,0,0,0|3,0,0]=3 218 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,0,0,0,0,0|3,0,0]=3 219 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [0,0,0,0,0,0|4,0,0]=4 220 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [0,0,0,0,0,0|4,0,0]=4 221 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,0,0,0,0,0|3,0,0]=3 223 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.5 C[S+](C)CC(=O)CC#N 1458a_200159257847_100011214920 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,0,0,0,0,0|3,0,0]=3 226 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,0,0,0,0,0|3,0,0]=3 227 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,0,0,0,0,0|4,0,0]=4 228 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,0,0,0,0,0|0,0,2]=3 229 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,0,0,0,0,0|1,0,2]=4 230 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,0,0,0,0|0,0,2]=3 231 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,0,0,0,0,0|1,0,2]=4 232 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,0,0,0,0,0|1,0,2]=4 233 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,0,0,0,0|0,0,2]=3 234 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,0,0,0,0,0|1,0,2]=4 235 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,0,0,0,0,0|1,0,2]=4 236 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,0,0,0,0,0|1,0,2]=4 237 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [1,0,0,0,0,0|1,0,2]=4 238 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,0,0,0,0,0|1,0,0]=2 239 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,0,0,0,0|1,0,0]=2 240 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,0,0,0,0,0|2,0,1]=4 241 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,0,0,0,0,0|1,0,1]=3 242 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,0,0,0,0,0|1,0,1]=3 243 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,0,0,0,0,0|1,1,1]=4 244 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,0,0,0,0,0|1,1,1]=4 245 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [1,0,0,0,0,0|3,0,0]=4 246 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,0,0,0,0,0|2,0,0]=3 248 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,0,0,0,0,0|2,0,0]=3 249 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,0,0|0,0,2]=3 250 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,0,0,0,0|1,0,2]=4 251 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,0,0,0,0|1,0,2]=4 252 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,0,0|1,0,1]=3 253 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,0,0|2,0,1]=4 254 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,0,0|2,0,1]=4 255 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,0,0,0,0|0,0,0]=1 257 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,0,0,0,0|0,0,0]=1 258 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,0,0,0,0|1,0,0]=2 259 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,0,0,0,0,0|2,0,0]=3 260 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,0,0,0,0,0|1,0,0]=2 261 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,0,0,0,0,0|1,0,0]=2 262 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,0,0,0,0|1,0,0]=2 263 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,0,0,0,0,0|3,0,0]=4 264 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,0,0,0,0,0|1,0,0]=2 265 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,0,0,0,0,0|1,0,0]=2 266 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,0,0,0,0,0|1,0,0]=2 267 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,0,0,0,0,0|1,0,0]=2 268 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,0,0,0,0,0|1,0,0]=2 269 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,0,0,0,0,0|2,0,1]=4 273 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,0,0,0,0,0|2,0,1]=4 276 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [1,0,0,0,0,0|2,0,1]=4 277 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [1,0,0,0,0,0|2,0,1]=4 278 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [1,0,0,0,0,0|2,0,1]=4 282 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [1,0,0,0,0,0|2,0,1]=4 283 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [1,0,0,0,0,0|1,0,2]=4 284 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [1,0,0,0,0,0|1,0,2]=4 285 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,0,0,0,0,0|2,0,0]=3 286 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,0,0,0,0,0|2,0,0]=3 287 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,0,0,0,0,0|2,0,0]=3 288 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,0,0,0,0,0|2,0,0]=3 289 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,0,0,0,0,0|2,0,0]=3 290 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,0,0,0,0,0|2,0,0]=3 291 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,0,0,0,0,0|3,0,0]=4 293 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,0,0,0,0,0|3,0,0]=4 294 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,0,0,0,0,0|3,0,0]=4 295 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,0,0,0,0,0|3,0,0]=4 299 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,0,0,0,0,0|2,0,1]=4 304 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,0,0,0,0,0|2,0,0]=3 306 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,0,0,0,0,0|1,0,2]=4 307 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,0,0,0,0,0|1,0,2]=4 308 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,0,0,0,0,0|1,0,2]=4 309 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,0,0,0,0,0|1,0,0]=2 311 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,0,0,0,0,0|1,0,0]=2 312 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,0,0,0,0,0|1,0,0]=2 313 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,0,0,0,0,0|1,0,0]=2 314 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,0,0,0,0,0|2,0,0]=3 316 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,0,0,0,0,0|2,0,0]=3 317 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,0,0,0,0,0|2,0,0]=3 318 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,0,0,0,0,0|2,0,0]=3 319 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,0,0,0,0,0|2,0,0]=3 320 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,0,0,0,0,0|2,0,0]=3 321 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,0,0,0,0,0|2,0,0]=3 322 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,0,0,0,0,0|2,0,0]=3 323 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,0,0,0,0,0|2,0,0]=3 324 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,0,0,0,0,0|2,0,0]=3 325 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,0,0,0,0,0|2,0,0]=3 326 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,0,0,0,0,0|2,0,0]=3 327 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,0,0,0,0,0|2,0,0]=3 328 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,0,0,0,0,0|2,0,0]=3 329 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,0,0,0,0,0|2,0,0]=3 330 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,0,0,0,0,0|2,0,0]=3 331 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,0,0,0,0,0|2,0,1]=4 332 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,0,0,0,0,0|2,0,1]=4 333 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,0,0,0,0,0|2,0,1]=4 334 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,0,0,0,0,0|2,0,1]=4 335 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,0,0|1,0,1]=3 336 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,0,0|1,0,1]=3 337 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,0,0|1,0,1]=3 338 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,0,0,0,0,0|1,0,0]=2 339 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,0,0,0,0,0|1,0,0]=2 340 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,0,0,0,0,0|1,0,0]=2 341 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,0,0,0,0,0|1,0,0]=2 342 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,0,0,0,0,0|1,0,1]=3 343 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,0,0,0,0,0|1,0,1]=3 344 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,0,0,0,0,0|1,0,1]=3 345 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,0,0,0,0,0|2,0,1]=4 346 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,0,0,0,0,0|2,0,1]=4 347 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,0,0,0,0,0|1,1,1]=4 348 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,0,0,0,0,0|1,1,1]=4 349 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,0,0,0,0,0|2,0,0]=3 350 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,0,0,0,0,0|2,0,0]=3 351 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|0,0,3]=4 353 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|0,0,3]=4 354 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 356 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,1]=4 360 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,1]=4 361 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,0,0,0,0|1,0,1]=3 362 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,0,0,0,0|1,0,1]=3 363 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,0,0,0,0,0|1,1,1]=4 364 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,0,0,0,0,0|1,1,1]=4 365 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,0,0,0,0|3,0,0]=4 366 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,0,0,0,0|3,0,0]=4 367 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,0,0,0,0|3,0,0]=4 377 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,0,0,0,0,0|3,0,0]=4 378 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,0,0,0,0,0|3,0,0]=4 379 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,0,0,0,0|3,0,0]=4 380 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,0,0,0,0|3,0,0]=4 381 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,0,0,0,0,0|2,0,0]=3 385 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,0,0,0,0,0|2,0,0]=3 386 B7R0.4 CCC#CCN(C)C 2230a_100102631434_100009813939 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 389 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 395 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,0]=3 404 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,0]=3 405 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,0]=3 406 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|3,0,0]=4 408 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|3,0,0]=4 409 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,0]=3 410 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,0]=3 411 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|3,0,0]=4 412 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|3,0,0]=4 414 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|3,0,0]=4 415 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|3,0,0]=4 416 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|3,0,0]=4 421 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|1,0,1]=3 423 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|1,0,1]=3 424 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,2]=4 429 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,2]=4 430 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|0,0,3]=4 431 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|0,0,3]=4 432 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,2]=4 433 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,2]=4 434 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 435 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 436 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,2]=4 437 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|1,0,1]=3 438 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|0,0,1]=2 439 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|0,0,1]=2 440 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|0,0,1]=2 441 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,1]=3 442 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|1,0,1]=3 444 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|1,0,1]=3 445 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|1,0,1]=3 446 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|1,0,1]=3 447 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,0,0,0,0,0|1,0,1]=3 448 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,0,0,0,0,0|1,0,1]=3 449 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|0,1,1]=3 450 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|0,1,1]=3 451 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,1,1]=4 452 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,1,1]=4 453 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|1,1,1]=4 454 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|1,1,1]=4 455 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|1,1,1]=4 456 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|1,1,1]=4 457 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|1,1,1]=4 458 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 460 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,1]=4 461 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 462 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 463 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 464 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,0,0,0,0,0|3,0,0]=4 467 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,0,0,0,0,0|3,0,0]=4 468 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,0,0,0,0,0|3,0,0]=4 469 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,1]=4 470 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,1]=4 471 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 472 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 473 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|3,0,0]=4 474 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|3,0,0]=4 475 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|3,0,0]=4 476 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|1,0,2]=4 478 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|1,0,2]=4 479 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,0,0,0,0|1,0,2]=4 480 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|1,0,2]=4 481 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|1,0,2]=4 482 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 483 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 484 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 485 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|1,0,2]=4 486 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|1,0,2]=4 487 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|1,0,2]=4 488 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|1,0,2]=4 489 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|1,0,2]=4 490 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|1,0,2]=4 491 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|1,0,2]=4 492 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|1,0,1]=3 493 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|1,0,1]=3 496 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 499 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 500 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|1,0,0]=2 506 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|2,0,0]=3 507 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|2,0,0]=3 508 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|2,0,0]=3 509 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 510 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 511 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|2,0,0]=3 512 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|2,0,0]=3 513 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|2,0,0]=3 514 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|2,0,0]=3 515 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|2,0,0]=3 517 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 518 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 519 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 520 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,0]=3 521 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,0,0,0,0|2,0,1]=4 523 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 525 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,0,0,0,0|1,0,1]=3 526 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 527 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,0,0,0,0|1,1,1]=4 530 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,0,0,0,0|1,1,1]=4 531 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 532 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 533 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 534 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 535 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 536 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 537 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|2,0,0]=3 539 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,0]=3 540 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 541 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,0]=3 542 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 543 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,0]=3 544 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 545 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 546 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|2,0,0]=3 547 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 548 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 551 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|2,0,0]=3 552 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|2,0,0]=3 553 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|2,0,0]=3 555 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 556 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 557 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 558 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 559 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 562 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,0]=2 563 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 564 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|1,0,0]=2 565 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|1,0,0]=2 566 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|1,0,0]=2 567 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|1,0,0]=2 568 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|1,0,0]=2 569 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 570 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,0,0,0,0|2,0,1]=4 571 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,0,0,0,0,0|2,0,1]=4 572 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,0,0,0,0,0|2,0,1]=4 573 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 574 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,0,0,0,0,0|3,0,0]=4 575 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 576 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,0,0,0,0|3,0,0]=4 577 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,0,0,0,0,0|3,0,0]=4 578 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|3,0,0]=4 579 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|3,0,0]=4 580 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|3,0,0]=4 581 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,0,0,0,0,0|3,0,0]=4 582 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|3,0,0]=4 583 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|3,0,0]=4 584 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,0,0,0,0,0|3,0,0]=4 585 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,0,0,0,0,0|3,0,0]=4 586 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,0,0,0,0,0|3,0,0]=4 587 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,0,0,0,0,0|3,0,0]=4 588 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,0,0,0,0,0|3,0,0]=4 589 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,0,0,0,0,0|3,0,0]=4 590 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,1,0,0,0,0|1,0,1]=3 591 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,1,0,0,0,0|1,0,1]=3 592 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,1,0,0,0,0|2,0,1]=4 593 B9R0.4 C#CCCC(=O)CN(C)C 1458a_100000750896_100000753159 [0,1,0,0,0,0|2,0,1]=4 594 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,1,0,0,0,0|2,0,1]=4 595 B9R0.4 C#CCCC(=O)C[S+](C)C 1458a_200159257847_100000753159 [0,1,0,0,0,0|2,0,1]=4 596 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 597 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 598 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 599 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 600 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [0,1,0,0,0,0|1,0,1]=3 601 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [0,1,0,0,0,0|1,0,1]=3 602 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [0,1,0,0,0,0|1,0,1]=3 603 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [0,1,0,0,0,0|1,0,1]=3 604 B9R0.4 C#CCNC(=O)CN(C)C 11a_100000212058_100000750896 [0,1,0,0,0,0|2,0,1]=4 605 B9R0.4 C#CCNC(=O)CN(C)C 240690a_100000212058_100000750896 [0,1,0,0,0,0|2,0,1]=4 606 B9R0.4 C#CCNC(=O)CN(C)C 527a_100000212058_100000750896 [0,1,0,0,0,0|2,0,1]=4 607 B9R0.4 C#CCNC(=O)C[C@@H](C)O 240690a_100000212058_100011933948 [0,1,0,0,0,0|2,0,1]=4 608 B9R0.4 C#CCNC(=O)C[S+](C)C 11a_100000212058_200159257847 [0,1,0,0,0,0|2,0,1]=4 609 B9R0.4 C#CCNC(=O)C[S+](C)C 1626a_100000212058_200159257847 [0,1,0,0,0,0|2,0,1]=4 610 B9R0.4 C#CCNC(=O)C[S+](C)C 240690a_100000212058_200159257847 [0,1,0,0,0,0|2,0,1]=4 611 B9R0.4 C#CCNC(=O)C[S+](C)C 527a_100000212058_200159257847 [0,1,0,0,0,0|2,0,1]=4 612 B9R0.4 C#CCNC(=O)NC(C)C 2708a_100000212058_100138425928 [0,1,0,0,0,0|2,0,1]=4 613 B9R0.4 C#CCNC(=O)NC(C)C 2708a_100138425928_100000212058 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.4 C#CCNC(=O)NC(C)C 273464a_100138425928_100000212058 [0,1,0,0,0,0|2,0,1]=4 615 B9R0.4 C#CCNC(=O)NC(C)C 512a_100000212058_100138425928 [0,1,0,0,0,0|2,0,1]=4 616 B9R0.4 C#CCNC(=O)NC(C)C 512a_100138425928_100000212058 [0,1,0,0,0,0|2,0,1]=4 617 B9R0.4 C#CCOC(C)CC(C)C 34a_100000210247_100000731052 [0,1,0,0,0,0|1,0,2]=4 618 B9R0.4 C#CCOC(C)CC(C)C 34a_100000211805_100000184674 [0,1,0,0,0,0|1,0,2]=4 619 B9R0.4 C#CCOC(C)CC(C)C 7a_100000211805_100000038162 [0,1,0,0,0,0|1,0,2]=4 620 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,1,0,0,0,0|1,0,1]=3 621 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,1,0,0,0,0|2,0,1]=4 623 B9R0.4 C/C=C/CC(=O)C[S+](C)C 1458a_200159257847_100102629194 [0,1,0,0,0,0|2,0,1]=4 624 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,1,0,0,0,0|1,0,2]=4 625 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,0|1,0,2]=4 626 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|1,0,2]=4 627 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|1,0,2]=4 628 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|1,0,2]=4 629 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,0|0,0,2]=3 630 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,0|0,1,2]=4 631 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.4 C=C(CN(C)C)OCOC 269982a_100102631434_100000042856 [0,1,0,0,0,0|2,0,0]=3 633 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,1,0,0,0,0|1,0,2]=4 634 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,1,0,0,0,0|1,0,2]=4 635 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,1,0,0,0,0|1,0,1]=3 636 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,1,0,0,0,0|1,0,1]=3 637 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,1,0,0,0,0|2,0,1]=4 638 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [0,1,0,0,0,0|2,0,1]=4 639 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,1,0,0,0,0|2,0,1]=4 640 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [0,1,0,0,0,0|2,0,1]=4 641 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 642 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 643 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 644 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 645 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,1,0,0,0,0|1,0,1]=3 646 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,1,0,0,0,0|1,0,1]=3 647 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,1,0,0,0,0|1,0,1]=3 648 B9R0.4 C=CCNC(=O)CN(C)C 2230a_100102631434_100000183597 [0,1,0,0,0,0|2,0,1]=4 649 B9R0.4 C=CCNC(=O)CN(C)C 240690a_100020586998_100000750896 [0,1,0,0,0,0|2,0,1]=4 650 B9R0.4 C=CCNC(=O)CN(C)C 269982a_100102631434_100000183597 [0,1,0,0,0,0|2,0,1]=4 651 B9R0.4 C=CCNC(=O)CN(C)C 527a_100020586998_100000750896 [0,1,0,0,0,0|2,0,1]=4 652 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,1,0,0,0,0|2,0,1]=4 653 B9R0.4 C=CCNC(=O)C[S+](C)C 1626a_100020586998_200159257847 [0,1,0,0,0,0|2,0,1]=4 654 B9R0.4 C=CCNC(=O)C[S+](C)C 240690a_100020586998_200159257847 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.4 C=CCNC(=O)C[S+](C)C 527a_100020586998_200159257847 [0,1,0,0,0,0|2,0,1]=4 656 B9R0.4 C=CCNC(=O)NC(C)C 2708a_100138425928_100020586998 [0,1,0,0,0,0|2,0,1]=4 657 B9R0.4 C=CCNC(=O)NC(C)C 273464a_100138425928_100020586998 [0,1,0,0,0,0|2,0,1]=4 658 B9R0.4 C=CCNC(=O)NC(C)C 512a_100020586998_100138425928 [0,1,0,0,0,0|2,0,1]=4 659 B9R0.4 C=CCNC(=O)NC(C)C 512a_100138425928_100020586998 [0,1,0,0,0,0|2,0,1]=4 660 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,0|1,0,2]=4 661 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,1,0,0,0,0|1,0,1]=3 662 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,1,0,0,0,0|1,0,1]=3 663 B9R0.4 C=CCOC(C)CC(C)C 34a_100000211805_100015514636 [0,1,0,0,0,0|1,0,2]=4 664 B9R0.4 C=CCOC(C)CC(C)C 34a_200000210373_100000731052 [0,1,0,0,0,0|1,0,2]=4 665 B9R0.4 C=CCOC(C)CC(C)C 7a_100000211805_100015514636 [0,1,0,0,0,0|1,0,2]=4 666 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,1,0,0,0,0|1,0,1]=3 667 B9R0.4 CC#CCC(=O)CN(C)C 1458a_100000750896_100000748600 [0,1,0,0,0,0|2,0,1]=4 668 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,1,0,0,0,0|2,0,1]=4 669 B9R0.4 CC#CCC(=O)C[S+](C)C 1458a_200159257847_100000748600 [0,1,0,0,0,0|2,0,1]=4 670 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,1,0,0,0,0|1,0,2]=4 671 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,1,0,0,0,0|1,0,2]=4 672 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,1,0,0,0,0|1,0,2]=4 673 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,1,0,0,0,0|1,0,2]=4 674 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,1,0,0,0,0|1,0,2]=4 675 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,1,0,0,0,0|1,0,2]=4 676 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [0,1,0,0,0,0|1,0,1]=3 677 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,1,0,0,0,0|1,0,1]=3 678 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,1,0,0,0,0|1,0,1]=3 679 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|1,0,0]=2 680 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|1,0,0]=2 681 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [0,1,0,0,0,0|1,0,1]=3 682 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [0,1,0,0,0,0|1,0,1]=3 683 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,1,0,0,0,0|1,0,0]=2 684 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,1,0,0,0,0|1,0,0]=2 685 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,1,0,0,0,0|1,0,0]=2 686 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,1,0,0,0,0|1,0,0]=2 687 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,1,0,0,0,0|1,0,0]=2 688 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,1,0,0,0,0|1,0,0]=2 689 B9R0.4 CC(C)CC(C)NCCF 2230a_100000692259_100011217306 [0,1,0,0,0,0|2,0,1]=4 690 B9R0.4 CC(C)CC(C)NCCF 34a_100000724931_100000731052 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.4 CC(C)CC(C)NCCO 2230a_100000692259_100000211926 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.4 CC(C)CC(C)NCCO 2230a_100016997473_100000731052 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.4 CC(C)CC(C)NCCO 34a_100016990907_100000731052 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.4 CC(C)CC(C)OCC#N 7a_100000211805_100011215382 [0,1,0,0,0,0|1,0,2]=4 695 B9R0.4 CC(C)CC(C)OCC=O 34a_100000211805_200009817547 [0,1,0,0,0,0|1,0,2]=4 696 B9R0.4 CC(C)CC(C)OCC=O 7a_100000211805_200015260668 [0,1,0,0,0,0|1,0,2]=4 697 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,1,0,0,0,0|1,0,1]=3 698 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,1,0,0,0,0|1,0,1]=3 699 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,1,0,0,0,0|1,0,1]=3 700 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,1,0,0,0,0|1,0,1]=3 701 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,1,0,0,0,0|1,0,1]=3 702 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,1,0,0,0,0|1,0,1]=3 703 B9R0.4 CC(C)CC(C)SCCF 62a_100000731052_100011217306 [0,1,0,0,0,0|1,1,1]=4 704 B9R0.4 CC(C)CC(C)SCCF 62a_100011217306_100000731052 [0,1,0,0,0,0|1,1,1]=4 705 B9R0.4 CC(C)CC(C)SCCO 62a_100000211926_100000731052 [0,1,0,0,0,0|1,1,1]=4 706 B9R0.4 CC(C)CC(C)SCCO 62a_100000731052_100000211926 [0,1,0,0,0,0|1,1,1]=4 707 B9R0.4 CC(C)CN(C)CCCF 2230a_100000747067_100011934791 [0,1,0,0,0,0|3,0,0]=4 708 B9R0.4 CC(C)CN(C)CCCF 269982a_100000747067_100011934791 [0,1,0,0,0,0|3,0,0]=4 709 B9R0.4 CC(C)CN(C)CCCO 2230a_100000213112_100000210760 [0,1,0,0,0,0|3,0,0]=4 710 B9R0.4 CC(C)CN(C)CCCO 2230a_100000747067_100000230001 [0,1,0,0,0,0|3,0,0]=4 711 B9R0.4 CC(C)CN(C)CCCO 269982a_100000213112_100000210624 [0,1,0,0,0,0|3,0,0]=4 712 B9R0.4 CC(C)CN(C)CCCO 269982a_100000747067_100011215043 [0,1,0,0,0,0|3,0,0]=4 713 B9R0.4 CC(C)CN(C)CCCO 270004a_100000213112_100000210432 [0,1,0,0,0,0|3,0,0]=4 714 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [0,1,0,0,0,0|2,0,1]=4 715 B9R0.4 CC(C)C[C@H](N)COCF 34a_100011830311_100015361967 [0,1,0,0,0,0|2,0,1]=4 716 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 717 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 718 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 719 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,1,0,0,0,0|2,0,1]=4 720 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,0|2,0,0]=3 721 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,0|2,0,0]=3 722 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [0,1,0,0,0,0|2,1,0]=4 723 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [0,1,0,0,0,0|2,1,0]=4 724 B9R0.4 CC(C)NC(=O)NCC#N 2708a_100000734998_100138425928 [0,1,0,0,0,0|2,0,1]=4 725 B9R0.4 CC(C)NC(=O)NCC#N 273464a_100138425928_100000734998 [0,1,0,0,0,0|2,0,1]=4 726 B9R0.4 CC(C)NC(=O)NCC#N 512a_100000734998_100138425928 [0,1,0,0,0,0|2,0,1]=4 727 B9R0.4 CC(C)NC(=O)NCC#N 512a_100138425928_100000734998 [0,1,0,0,0,0|2,0,1]=4 728 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,1,0,0,0,0|2,0,0]=3 729 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,1,0,0,0,0|2,0,0]=3 730 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,1,0,0,0,0|2,0,0]=3 731 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,1,0,0,0,0|2,0,0]=3 732 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,1,0,0,0,0|2,0,0]=3 733 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,1,0,0,0,0|2,0,0]=3 734 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|2,0,0]=3 735 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|2,0,0]=3 736 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,1,0,0,0,0|2,1,0]=4 737 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,1,0,0,0,0|2,1,0]=4 738 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,0|1,0,0]=2 739 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,0|1,0,0]=2 740 B9R0.4 CC(O)CC(=O)C#CCO 1458a_100000049017_100011218427 [0,1,0,0,0,0|2,0,1]=4 741 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,1,0,0,0,0|2,0,1]=4 742 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,1,0,0,0,0|1,0,1]=3 743 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,1,0,0,0,0|1,0,1]=3 744 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,1,0,0,0,0|2,0,1]=4 745 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [0,1,0,0,0,0|2,0,1]=4 746 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,1,0,0,0,0|2,0,1]=4 747 B9R0.4 CC=CCC(=O)C[S+](C)C 1458a_200159257847_100000070051 [0,1,0,0,0,0|2,0,1]=4 748 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 749 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 750 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 751 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 752 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [0,1,0,0,0,0|1,0,1]=3 753 B9R0.4 CC=NNC(=O)CN(C)C 4a_100000750941_200000210099 [0,1,0,0,0,0|2,0,1]=4 754 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,1,0,0,0,0|1,0,0]=2 755 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,1,0,0,0,0|2,0,0]=3 756 B9R0.4 CCC#CC(=O)CC(F)F 1458a_100011827653_100011934356 [0,1,0,0,0,0|3,0,0]=4 757 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,1,0,0,0,0|1,0,0]=2 758 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,1,0,0,0,0|2,0,0]=3 759 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,1,0,0,0,0|3,0,0]=4 760 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,1,0,0,0,0|2,0,0]=3 761 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,1,0,0,0,0|2,0,0]=3 762 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,1,0,0,0,0|2,0,0]=3 763 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,0|1,0,2]=4 764 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|1,0,0]=2 765 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|1,0,0]=2 766 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|2,0,0]=3 767 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,1,0,0,0,0|3,0,0]=4 768 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|2,0,0]=3 769 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|2,0,0]=3 770 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|2,0,0]=3 771 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 772 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 773 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 774 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 775 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,1,0,0,0,0|3,0,0]=4 776 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,1,0,0,0,0|3,0,0]=4 777 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,1,0,0,0,0|3,0,0]=4 778 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,1,0,0,0,0|3,0,0]=4 779 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,1,0,0,0,0|1,0,2]=4 781 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,1,0,0,0,0|1,0,2]=4 782 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,1,0,0,0,0|1,0,2]=4 783 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|2,0,1]=4 784 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 785 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 786 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 787 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 788 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,1,0,0,0,0|2,0,0]=3 789 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,1,0,0,0,0|2,0,0]=3 790 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,1,0,0,0,0|2,0,0]=3 791 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,1,0,0,0,0|2,0,0]=3 792 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,1,0,0,0,0|2,0,0]=3 793 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,1,0,0,0,0|2,0,0]=3 794 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,1,0,0,0,0|2,0,0]=3 795 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,1,0,0,0,0|2,0,0]=3 796 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,1,0,0,0,0|2,0,0]=3 797 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,0|2,0,0]=3 798 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 799 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 800 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 801 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 802 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,1,0,0,0,0|2,0,0]=3 803 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,1,0,0,0,0|2,0,0]=3 804 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,1,0,0,0,0|2,0,0]=3 805 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,1,0,0,0,0|2,0,0]=3 806 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,1,0,0,0,0|2,0,0]=3 807 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,1,0,0,0,0|2,0,1]=4 808 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|1,0,1]=3 809 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,0|1,0,0]=2 810 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,0|1,0,0]=2 811 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,1,0,0,0,0|1,0,1]=3 812 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,1,0,0,0,0|1,0,1]=3 813 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,1,0,0,0,0|1,0,1]=3 814 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,1,0,0,0,0|1,1,1]=4 815 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,1,0,0,0,0|1,1,1]=4 816 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,1,0,0,0,0|2,0,0]=3 817 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,1,0,0,0,0|2,0,0]=3 818 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,0|2,0,0]=3 819 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,1,0,0,0,0|1,0,2]=4 820 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,1,0,0,0,0|1,0,0]=2 821 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,1,0,0,0,0|2,0,0]=3 822 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,1,0,0,0,0|2,0,0]=3 823 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,1,0,0,0,0|2,0,0]=3 824 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,1,0,0,0,0|2,0,0]=3 825 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,1,0,0,0,0|2,0,0]=3 826 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,1,0,0,0,0|2,0,0]=3 827 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,0|0,0,0]=1 830 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,0|1,0,0]=2 831 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,1,0,0,0,0|2,0,0]=3 832 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,1,0,0,0,0|3,0,0]=4 833 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,0|1,0,0]=2 834 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,0|1,0,0]=2 835 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,0|1,0,0]=2 836 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,0|1,0,0]=2 837 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,0|1,0,0]=2 838 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|1,0,0]=2 839 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,1,0,0,0,0|2,0,1]=4 840 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,1,0,0,0,0|2,0,0]=3 842 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,1,0,0,0,0|1,0,1]=3 844 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,0|0,1,0]=2 845 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,0|1,1,0]=3 846 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,1,0,0,0,0|2,1,0]=4 847 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,1,0,0,0,0|1,1,0]=3 848 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,1,0,0,0,0|1,1,0]=3 849 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,1,0,0,0,0|1,1,0]=3 850 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,1,0,0,0,0|1,1,0]=3 851 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,1,0,0,0,0|1,1,0]=3 852 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,1,0,0,0,0|1,1,0]=3 853 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,0|1,1,0]=3 854 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,0|1,1,0]=3 855 B9R0.4 CN(C)CC(=O)CCC#N 1458a_100000750896_100011215226 [0,1,0,0,0,0|2,0,1]=4 856 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,1,0,0,0,0|2,0,0]=3 857 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,1,0,0,0,0|2,0,0]=3 858 B9R0.4 CN(C)CC(=O)NCC#N 2230a_100102631434_100000736037 [0,1,0,0,0,0|2,0,1]=4 859 B9R0.4 CN(C)CC(=O)NCC#N 269982a_100102631434_100000736037 [0,1,0,0,0,0|2,0,1]=4 860 B9R0.4 CN(C)CC(=O)NCC#N 527a_100000734998_100000750896 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,1,0,0,0,0|2,0,0]=3 862 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,1,0,0,0,0|2,0,0]=3 863 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,1,0,0,0,0|2,0,0]=3 864 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,1,0,0,0,0|2,0,0]=3 865 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,1,0,0,0,0|2,0,0]=3 866 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,0|2,0,0]=3 867 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,0|2,0,0]=3 868 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,0|2,0,0]=3 870 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,1,0,0,0,0|1,0,1]=3 871 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.4 COC=CC(=O)NC(C)C 1626a_100138425928_100016268678 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.4 COC=CC(=O)NC(C)C 240690a_100138425928_100016268678 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,1,0,0,0,0|1,0,2]=4 875 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|1,0,0]=2 876 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|1,0,0]=2 877 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|2,0,0]=3 878 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,1,0,0,0,0|3,0,0]=4 879 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,1,0,0,0,0|2,0,0]=3 880 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|2,0,0]=3 881 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,1,0,0,0,0|2,0,0]=3 882 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,0|2,0,0]=3 883 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,0|2,0,0]=3 884 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,0|2,0,0]=3 885 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,0|2,0,0]=3 886 B9R0.4 COCCN(C)CC(C)C 2230a_100000743101_100000210760 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.4 COCCN(C)CC(C)C 2230a_100000747067_100011201679 [0,1,0,0,0,0|3,0,0]=4 888 B9R0.4 COCCN(C)CC(C)C 269982a_100000743101_100000210624 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.4 COCCN(C)CC(C)C 269982a_100000747067_100000233755 [0,1,0,0,0,0|3,0,0]=4 890 B9R0.4 COCCN(C)CC(C)C 270004a_100000743101_100000210432 [0,1,0,0,0,0|3,0,0]=4 891 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.4 COCNC(C)CC(C)C 2230a_100000692259_100000766300 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.4 COCSC(C)CC(C)C 62a_100000731052_100000766300 [0,1,0,0,0,0|1,1,1]=4 894 B9R0.4 COCSC(C)CC(C)C 62a_100000766300_100000731052 [0,1,0,0,0,0|1,1,1]=4 895 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,0|1,0,2]=4 896 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|1,0,0]=2 897 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|1,0,0]=2 898 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|2,0,0]=3 899 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,1,0,0,0,0|3,0,0]=4 900 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,1,0,0,0,0|2,0,0]=3 901 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|2,0,0]=3 902 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,1,0,0,0,0|2,0,0]=3 903 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,0|2,0,0]=3 904 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,0|2,0,0]=3 905 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,0|2,0,0]=3 906 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,0|2,0,0]=3 907 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,0|2,0,0]=3 909 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|2,0,0]=3 910 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|2,0,0]=3 911 B9R0.4 CSCCN(C)CC(C)C 2230a_100000686725_100000210760 [0,1,0,0,0,0|3,0,0]=4 912 B9R0.4 CSCCN(C)CC(C)C 2230a_100000747067_100000751147 [0,1,0,0,0,0|3,0,0]=4 913 B9R0.4 CSCCN(C)CC(C)C 269982a_100000686725_100000210624 [0,1,0,0,0,0|3,0,0]=4 914 B9R0.4 CSCCN(C)CC(C)C 269982a_100000747067_100000212216 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.4 CSCCN(C)CC(C)C 270004a_100000686725_100000210432 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.4 CSCNC(C)CC(C)C 2230a_100000692259_100011218213 [0,1,0,0,0,0|2,0,1]=4 917 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,0|1,0,0]=2 918 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,0|1,0,0]=2 919 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,1,0,0,0,0|1,0,1]=3 920 B9R0.4 CSCSC(C)CC(C)C 62a_100000731052_100011218213 [0,1,0,0,0,0|1,1,1]=4 921 B9R0.4 CSCSC(C)CC(C)C 62a_100011218213_100000731052 [0,1,0,0,0,0|1,1,1]=4 922 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,1,0,0,0,0|2,0,1]=4 923 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|2,0,0]=3 925 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,1,0,0,0,0|2,0,0]=3 926 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.4 C[S+](C)CC(=O)CCC#N 1458a_200159257847_100011215226 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,1,0,0,0,0|2,0,0]=3 929 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,1,0,0,0,0|2,0,0]=3 930 B9R0.4 C[S+](C)CC(=O)NCC#N 1626a_100000734998_200159257847 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.4 C[S+](C)CC(=O)NCC#N 527a_100000734998_200159257847 [0,1,0,0,0,0|2,0,1]=4 932 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,1,0,0,0,0|2,0,0]=3 933 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,1,0,0,0,0|2,0,0]=3 934 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,1,0,0,0,0|2,0,0]=3 935 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,1,0,0,0,0|2,0,0]=3 936 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,1,0,0,0,0|2,0,0]=3 937 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,1,0,0,0,0|2,0,0]=3 938 B9R0.6 C#CCC(=O)C(C)C(C)C 1458a_100000755409_100000184674 [0,1,0,0,0,0|1,0,2]=4 939 B9R0.6 C#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000184674 [0,1,0,0,0,0|1,0,2]=4 940 B9R0.6 C=CCC(=O)C(C)C(C)C 1458a_100000755409_100000210623 [0,1,0,0,0,0|1,0,2]=4 941 B9R0.6 C=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210623 [0,1,0,0,0,0|1,0,2]=4 942 B9R0.6 CC(C)C(C)C(=O)CC#N 1458a_100000755409_100011214920 [0,1,0,0,0,0|2,0,1]=4 943 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,1,0,0,0,0|2,0,0]=3 944 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,1,0,0,0,0|2,0,0]=3 945 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [0,1,0,0,0,0|3,0,0]=4 946 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_100000230190_200025704644 [0,1,0,0,0,0|3,0,0]=4 947 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_200025704644_100000230190 [0,1,0,0,0,0|3,0,0]=4 948 B9R0.6 CC(C)[C@@H](O)C(=O)CC#N 1458a_100000691806_100011214920 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,1,0,0,0,0|2,0,0]=3 950 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,1,0,0,0,0|2,0,0]=3 951 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,1,0,0,0,0|2,0,1]=4 952 B9R0.6 CC=CC(=O)N(C)C(C)C 11a_200000211004_100000210699 [0,1,0,0,0,0|2,0,1]=4 953 B9R0.6 CC=CC(=O)N(C)C(C)C 1626a_200000211004_100000210699 [0,1,0,0,0,0|2,0,1]=4 954 B9R0.6 CC=CC(=O)N(C)C(C)C 240690a_200000211004_100000210699 [0,1,0,0,0,0|2,0,1]=4 955 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,1,0,0,0,0|2,0,1]=4 956 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|2,0,1]=4 957 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,0|1,0,0]=2 958 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 959 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 960 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 961 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 962 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,1,0,0,0,0|2,0,0]=3 963 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,0,0|1,0,0]=2 964 B9R0.6 CCCN(C)C(C)C(C)C 2230a_100000228512_100000210303 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.6 CCCN(C)C(C)C(C)C 2230a_200015185082_200000210301 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.6 CCCN(C)C(C)C(C)C 269982a_100000228512_100000210303 [0,1,0,0,0,0|3,0,0]=4 967 B9R0.6 CCCN(C)C(C)C(C)C 269982a_200015185082_200000210301 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.6 CCCN([13CH3])C(C)C(C)C 2230a_200015185082_200025704644 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.6 CCCN([13CH3])C(C)C(C)C 269982a_200015185082_200025704644 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,0,0,0,0|1,0,1]=3 971 B9R0.6 CCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297158 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100015525214_100011218876 [0,1,0,0,0,0|2,0,1]=4 973 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297158 [0,1,0,0,0,0|2,0,1]=4 974 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100015525214_100011218876 [0,1,0,0,0,0|2,0,1]=4 975 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100102631434_200011297158 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,0|2,0,1]=4 977 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,1,0,0,0,0|2,0,0]=3 981 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,1,0,0,0,0|2,0,0]=3 985 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,1,0,0,0,0|1,0,0]=2 987 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,0,0|1,0,1]=3 988 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,0,0|1,0,1]=3 989 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,0,0|1,0,1]=3 990 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,0|1,0,1]=3 991 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,0|1,0,1]=3 992 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,0|1,0,1]=3 993 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,0,0|1,0,0]=2 994 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,0,0|1,0,0]=2 995 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,0|1,0,1]=3 996 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,0,0|1,0,0]=2 997 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,0,0|1,0,0]=2 998 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,1,0,0,0,0|1,0,2]=4 999 B9R0.6 CNCC(=O)N(C)C(C)C 2230a_106832991635_100000230190 [0,1,0,0,0,0|3,0,0]=4 1000 B9R0.6 CNCC(=O)N(C)C(C)C 34a_100102657272_100000230190 [0,1,0,0,0,0|3,0,0]=4 1001 B9R0.6 CNCC(=O)N(C)C(C)C 7a_106832991635_100000230190 [0,1,0,0,0,0|3,0,0]=4 1002 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,1,0,0,0,0|2,0,0]=3 1003 B9R0.6 CNNC(=O)[C@H](C)N(C)C 22a_100016993582_100009822176 [0,1,0,0,0,0|3,0,0]=4 1004 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [0,1,0,0,0,0|2,0,0]=3 1005 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 1006 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 1007 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 1008 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [0,1,0,0,0,0|3,0,0]=4 1009 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 1010 B9R0.6 CSCC(=O)N(C)C(C)C 11a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 1011 B9R0.6 CSCC(=O)N(C)C(C)C 1626a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.6 CSCC(=O)N(C)C(C)C 240690a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 1013 B9R0.6 CSCC(=O)N(C)C(C)C 527a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 1014 B9R0.6 CSCC(=O)N(C)C(C)C 62a_100000230190_200000210301 [0,1,0,0,0,0|3,0,0]=4 1015 B9R0.6 CSCC(=O)N(C)C(C)C 62a_200000210301_100000230190 [0,1,0,0,0,0|3,0,0]=4 1016 B9R0.6 C[C@@H](C(=O)CCF)N(C)C 1458a_100009822176_100011217306 [0,1,0,0,0,0|3,0,0]=4 1017 B9R0.6 C[C@@H](C(=O)CCO)N(C)C 1458a_100009822176_100000211926 [0,1,0,0,0,0|3,0,0]=4 1018 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [0,1,0,0,0,0|1,0,1]=3 1019 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [0,1,0,0,0,0|1,0,1]=3 1020 B9R0.14 C#CC(CC(C)C)OCF 34a_100011215986_100015361967 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.14 C#CC(CC(C)C)OCF 7a_100011215986_100015361967 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [0,1,0,0,0,0|1,0,1]=3 1023 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [0,1,0,0,0,0|1,0,1]=3 1024 B9R0.14 C=CC(CC(C)C)OCF 34a_100012186643_100015361967 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.14 C=CC(CC(C)C)OCF 7a_100012186643_100015361967 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.14 CC(C)CC(C#N)OCF 34a_200011294978_100015361967 [0,1,0,0,0,0|2,0,1]=4 1027 B9R0.14 CC(C)CC(C#N)OCF 7a_200011294978_100015361967 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [0,1,0,0,0,0|1,0,2]=4 1029 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [0,1,0,0,0,0|1,0,2]=4 1030 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [0,1,0,0,0,0|1,0,2]=4 1031 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [0,1,0,0,0,0|1,0,2]=4 1032 B9R0.14 CCCN(CC)CC(C)C 2230a_100000226822_100000210760 [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.14 CCCN(CC)CC(C)C 2230a_100000738554_100000210303 [0,1,0,0,0,0|3,0,0]=4 1034 B9R0.14 CCCN(CC)CC(C)C 269982a_100000226822_100000210624 [0,1,0,0,0,0|3,0,0]=4 1035 B9R0.14 CCCN(CC)CC(C)C 269982a_100000738554_100000210303 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.14 CCCN(CC)CC(C)C 270004a_100000226822_100000210432 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.14 CCNC(C#N)CC(C)C 2230a_100000741378_100000210202 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [0,1,0,0,0,0|1,0,2]=4 1039 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [0,1,0,0,0,0|1,0,2]=4 1040 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [0,1,0,0,0,0|1,0,1]=3 1041 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [0,1,0,0,0,0|1,0,1]=3 1042 B9R0.23 C#CC(C)C(=O)CC(C)C 1458a_100000210554_200000035995 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,1,0,0,0,0|1,0,1]=3 1044 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,1,0,0,0,0|2,0,1]=4 1045 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100020587367 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100020587367 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,0|1,0,2]=4 1048 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,1,0,0,0,0|1,0,2]=4 1049 B9R0.23 C=C(CC(C)C)C(C)NC 269862a_106832991636_100009860644 [0,1,0,0,0,0|3,0,0]=4 1050 B9R0.23 C=CC(C)C(=O)CC(C)C 1458a_100011216780_100000210624 [0,1,0,0,0,0|1,0,2]=4 1051 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000210554_100000703298 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000753662_100000210624 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,1,0,0,0,0|2,0,0]=3 1054 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [0,1,0,0,0,0|3,0,0]=4 1055 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [0,1,0,0,0,0|3,0,0]=4 1056 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [0,1,0,0,0,0|3,0,0]=4 1057 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [0,1,0,0,0,0|3,0,0]=4 1058 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [0,1,0,0,0,0|3,0,0]=4 1059 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,1,0,0,0,0|3,0,0]=4 1061 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,0,0|2,0,0]=3 1064 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 1066 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 1067 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 1069 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,0,0,0,0|1,0,2]=4 1070 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,0,0,0,0|1,0,2]=4 1071 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,0,0,0,0|1,0,0]=2 1072 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,0,0,0,0|1,0,0]=2 1073 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,0|2,0,0]=3 1074 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [0,1,0,0,0,0|3,0,0]=4 1075 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,1,0,0,0,0|2,0,0]=3 1076 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,0|2,0,0]=3 1077 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,1,0,0,0,0|2,0,0]=3 1078 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,1,0,0,0,0|2,0,0]=3 1079 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,1,0,0,0,0|2,0,0]=3 1080 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,1,0,0,0,0|2,0,0]=3 1081 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,1,0,0,0,0|2,0,0]=3 1082 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000741768_100000210760 [0,1,0,0,0,0|3,0,0]=4 1083 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000747067_100000758301 [0,1,0,0,0,0|3,0,0]=4 1084 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000741768_100000210624 [0,1,0,0,0,0|3,0,0]=4 1085 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000747067_100000758301 [0,1,0,0,0,0|3,0,0]=4 1086 B9R0.23 CCC(C)N(C)CC(C)C 270004a_100000741768_100000210432 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,0|1,0,0]=2 1088 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,0,0,0,0|2,0,0]=3 1089 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,1,0,0,0,0|2,0,0]=3 1091 B9R0.23 CCN(C)C(=O)C=C(C)C 11a_100000225621_100000211388 [0,1,0,0,0,0|1,0,2]=4 1092 B9R0.23 CCN(C)C(=O)C=C(C)C 1626a_100000225621_100000211388 [0,1,0,0,0,0|1,0,2]=4 1093 B9R0.23 CCN(C)C(=O)C=C(C)C 240690a_100000225621_100000211388 [0,1,0,0,0,0|1,0,2]=4 1094 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,0|2,0,1]=4 1095 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,1,0,0,0,0|1,0,0]=2 1096 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,1,0,0,0,0|1,0,0]=2 1097 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,1,0,0,0,0|1,0,0]=2 1098 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,1,0,0,0,0|1,0,0]=2 1099 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [0,1,0,0,0,0|2,0,0]=3 1100 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [0,1,0,0,0,0|2,0,0]=3 1101 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [0,1,0,0,0,0|2,0,0]=3 1102 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [0,1,0,0,0,0|2,0,0]=3 1103 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [0,1,0,0,0,0|2,0,0]=3 1104 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,1,0,0,0,0|2,0,0]=3 1105 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [0,1,0,0,0,0|2,0,0]=3 1107 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [0,1,0,0,0,0|2,0,0]=3 1108 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [0,1,0,0,0,0|2,0,0]=3 1109 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [0,1,0,0,0,0|2,0,0]=3 1110 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [0,1,0,0,0,0|2,0,0]=3 1111 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [0,1,0,0,0,0|2,0,1]=4 1112 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [0,1,0,0,0,0|2,0,1]=4 1115 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,0,0,0,0|2,0,0]=3 1116 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,1,0,0,0,0|3,0,0]=4 1117 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,1,0,0,0,0|3,0,0]=4 1118 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,1,0,0,0,0|3,0,0]=4 1119 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,1,0,0,0,0|3,0,0]=4 1120 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,1,0,0,0,0|3,0,0]=4 1121 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,1,0,0,0,0|3,0,0]=4 1122 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,1,0,0,0,0|3,0,0]=4 1123 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [0,1,0,0,0,0|3,0,0]=4 1124 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [0,1,0,0,0,0|3,0,0]=4 1125 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [0,1,0,0,0,0|3,0,0]=4 1126 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [0,1,0,0,0,0|3,0,0]=4 1127 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [0,1,0,0,0,0|3,0,0]=4 1128 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,1,0,0,0,0|3,0,0]=4 1129 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,1,0,0,0,0|3,0,0]=4 1130 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,1,0,0,0,0|3,0,0]=4 1131 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,1,0,0,0,0|3,0,0]=4 1132 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,1,0,0,0,0|2,0,0]=3 1133 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,1,0,0,0,0|3,0,0]=4 1134 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [0,1,0,0,0,0|3,0,0]=4 1135 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [0,1,0,0,0,0|3,0,0]=4 1136 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [0,1,0,0,0,0|3,0,0]=4 1137 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [0,1,0,0,0,0|3,0,0]=4 1138 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.23 CON(C)C(=O)CN(C)C 2230a_100102631434_100000764215 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.23 CON(C)C(=O)CN(C)C 269982a_100102631434_100000764215 [0,1,0,0,0,0|3,0,0]=4 1141 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,1,0,0,0,0|3,0,0]=4 1142 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,1,0,0,0,0|3,0,0]=4 1143 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [0,1,0,0,0,0|2,0,0]=3 1144 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [0,1,0,0,0,0|3,0,0]=4 1146 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [0,1,0,0,0,0|3,0,0]=4 1147 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [0,1,0,0,0,0|3,0,0]=4 1148 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [0,1,0,0,0,0|3,0,0]=4 1149 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [0,1,0,0,0,0|3,0,0]=4 1150 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [0,1,0,0,0,0|3,0,0]=4 1151 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,0|1,0,2]=4 1152 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,1,0,0,0,0|2,0,1]=4 1153 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100000707721_100015525214 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100015525214_100000707721 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100000707721_100015525214 [0,1,0,0,0,0|2,0,1]=4 1159 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100015525214_100000707721 [0,1,0,0,0,0|2,0,1]=4 1160 B9R0.34 C#CC(C)NC(=O)NCC 512a_100000707721_100015525214 [0,1,0,0,0,0|2,0,1]=4 1161 B9R0.34 C#CC(C)NC(=O)NCC 512a_100015525214_100000707721 [0,1,0,0,0,0|2,0,1]=4 1162 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,1,0,0,0,0|1,0,2]=4 1163 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,1,0,0,0,0|1,0,2]=4 1164 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,1,0,0,0,0|1,0,2]=4 1165 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [0,1,0,0,0,0|1,0,2]=4 1166 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|1,0,2]=4 1167 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|1,0,1]=3 1168 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,1,0,0,0,0|2,0,1]=4 1169 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,1,0,0,0,0|2,0,1]=4 1170 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,0,0,0,0|1,0,1]=3 1171 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,0,0,0,0|1,0,1]=3 1172 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,0,0,0,0|1,0,1]=3 1173 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [0,1,0,0,0,0|2,0,1]=4 1174 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,1,0,0,0,0|1,0,2]=4 1175 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,1,0,0,0,0|1,0,2]=4 1177 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,1,0,0,0,0|1,0,2]=4 1178 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,1,0,0,0,0|1,0,2]=4 1179 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,1,0,0,0,0|1,0,2]=4 1180 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,1,0,0,0,0|1,0,1]=3 1181 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,1,0,0,0,0|2,0,1]=4 1182 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,1,0,0,0,0|1,0,1]=3 1183 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,1,0,0,0,0|1,0,1]=3 1184 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,0,0,0,0|1,0,1]=3 1185 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,0,0,0,0|2,0,1]=4 1186 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,0,0,0,0|1,0,1]=3 1187 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,1,0,0,0,0|1,0,1]=3 1188 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,1,0,0,0,0|2,0,1]=4 1190 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,1,0,0,0,0|2,0,1]=4 1191 B9R0.34 CC=CC(=O)N[C@H](C)CF 11a_100102880703_100000210699 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.34 CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000210699 [0,1,0,0,0,0|2,0,1]=4 1193 B9R0.34 CC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000210699 [0,1,0,0,0,0|2,0,1]=4 1194 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,1,0,0,0,0|2,0,1]=4 1195 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,1,0,0,0,0|2,0,1]=4 1198 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,1,0,0,0,0|2,0,1]=4 1199 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,1,0,0,0,0|2,0,0]=3 1201 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,1,0,0,0,0|2,0,0]=3 1202 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,1,0,0,0,0|2,0,0]=3 1203 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,1,0,0,0,0|2,0,0]=3 1204 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,1,0,0,0,0|2,0,0]=3 1205 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,1,0,0,0,0|2,0,0]=3 1206 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,1,0,0,0,0|3,0,0]=4 1207 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,1,0,0,0,0|3,0,0]=4 1208 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,1,0,0,0,0|3,0,0]=4 1209 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,1,0,0,0,0|3,0,0]=4 1210 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,1,0,0,0,0|3,0,0]=4 1211 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,1,0,0,0,0|3,0,0]=4 1212 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,1,0,0,0,0|3,0,0]=4 1213 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,1,0,0,0,0|3,0,0]=4 1214 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,1,0,0,0,0|3,0,0]=4 1215 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,1,0,0,0,0|3,0,0]=4 1216 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,1,0,0,0,0|3,0,0]=4 1217 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,1,0,0,0,0|3,0,0]=4 1218 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,1,0,0,0,0|3,0,0]=4 1219 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,1,0,0,0,0|3,0,0]=4 1220 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,1,0,0,0,0|3,0,0]=4 1221 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,1,0,0,0,0|3,0,0]=4 1222 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,1,0,0,0,0|3,0,0]=4 1226 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,1,0,0,0,0|3,0,0]=4 1227 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,0|1,0,2]=4 1233 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|2,0,1]=4 1234 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|2,0,1]=4 1235 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|2,0,1]=4 1236 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|2,0,1]=4 1237 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|1,0,0]=2 1240 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|1,0,0]=2 1241 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|1,0,0]=2 1247 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|1,0,0]=2 1248 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,1,0,0,0,0|2,0,1]=4 1249 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,1,0,0,0,0|2,0,1]=4 1250 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,1,0,0,0,0|2,0,1]=4 1251 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,0|2,0,0]=3 1252 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,0|2,0,0]=3 1253 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,0|2,0,0]=3 1254 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,0|2,0,0]=3 1255 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 1256 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 1257 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 1258 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 1259 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,1,0,0,0,0|2,0,0]=3 1260 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,1,0,0,0,0|2,0,0]=3 1261 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,1,0,0,0,0|3,0,0]=4 1262 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,1,0,0,0,0|3,0,0]=4 1263 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,1,0,0,0,0|3,0,0]=4 1264 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,1,0,0,0,0|3,0,0]=4 1265 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,1,0,0,0,0|3,0,0]=4 1266 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,1,0,0,0,0|3,0,0]=4 1267 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,1,0,0,0,0|3,0,0]=4 1268 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,1,0,0,0,0|3,0,0]=4 1269 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,1,0,0,0,0|3,0,0]=4 1272 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,1,0,0,0,0|3,0,0]=4 1273 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,1,0,0,0,0|3,0,0]=4 1274 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,1,0,0,0,0|3,0,0]=4 1275 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,0,0,0,0|1,0,2]=4 1276 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,0,0,0,0|1,0,2]=4 1277 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|2,0,1]=4 1278 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,1,0,0,0,0|2,0,1]=4 1279 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|2,0,1]=4 1280 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|1,0,0]=2 1281 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|1,0,0]=2 1282 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|1,0,0]=2 1283 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|2,0,0]=3 1284 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,1,0,0,0,0|2,0,0]=3 1285 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,1,0,0,0,0|2,0,0]=3 1286 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,1,0,0,0,0|2,0,0]=3 1287 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,1,0,0,0,0|2,0,0]=3 1288 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,1,0,0,0,0|2,0,0]=3 1289 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,1,0,0,0,0|2,0,0]=3 1290 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,1,0,0,0,0|2,0,0]=3 1291 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100000737613_100015525214 [0,1,0,0,0,0|2,0,1]=4 1292 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100015525214_100000737613 [0,1,0,0,0,0|2,0,1]=4 1293 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100000737613_100015525214 [0,1,0,0,0,0|2,0,1]=4 1294 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100015525214_100000737613 [0,1,0,0,0,0|2,0,1]=4 1295 B9R0.34 CCNC(=O)NC(C)C#N 512a_100000737613_100015525214 [0,1,0,0,0,0|2,0,1]=4 1296 B9R0.34 CCNC(=O)NC(C)C#N 512a_100015525214_100000737613 [0,1,0,0,0,0|2,0,1]=4 1297 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,1,0,0,0,0|2,0,0]=3 1298 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,1,0,0,0,0|2,0,0]=3 1299 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,1,0,0,0,0|2,0,0]=3 1300 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,1,0,0,0,0|2,0,0]=3 1301 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,1,0,0,0,0|2,0,0]=3 1302 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,1,0,0,0,0|2,0,0]=3 1303 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,1,0,0,0,0|2,0,0]=3 1304 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,1,0,0,0,0|2,0,0]=3 1305 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,1,0,0,0,0|2,0,0]=3 1306 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,1,0,0,0,0|2,0,0]=3 1307 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,1,0,0,0,0|2,0,0]=3 1308 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,1,0,0,0,0|2,0,0]=3 1309 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,1,0,0,0,0|2,0,0]=3 1310 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,1,0,0,0,0|2,0,0]=3 1311 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,1,0,0,0,0|2,0,0]=3 1312 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,1,0,0,0,0|2,0,1]=4 1313 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,1,0,0,0,0|2,0,1]=4 1314 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|1,0,1]=3 1315 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|1,0,1]=3 1316 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|1,0,1]=3 1317 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|1,0,1]=3 1318 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|1,0,1]=3 1319 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|0,0,0]=1 1320 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|0,0,0]=1 1321 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|0,0,0]=1 1322 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|0,0,0]=1 1323 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|0,0,0]=1 1324 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|0,0,0]=1 1325 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|1,0,0]=2 1326 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|1,0,0]=2 1327 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|1,0,0]=2 1328 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|1,0,0]=2 1329 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|1,0,0]=2 1330 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|1,0,0]=2 1331 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|1,0,0]=2 1332 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|0,0,0]=1 1333 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|0,0,0]=1 1334 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|1,0,0]=2 1335 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|1,0,0]=2 1336 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|1,0,0]=2 1337 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|1,0,0]=2 1338 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,1,0,0,0,0|2,0,1]=4 1339 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,1,0,0,0,0|2,0,1]=4 1340 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,1,0,0,0,0|2,0,1]=4 1341 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,1,0,0,0,0|2,0,0]=3 1343 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,1,0,0,0,0|2,0,0]=3 1344 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,1,0,0,0,0|2,0,0]=3 1345 B9R0.34 CNNC(=O)N[C@H](C)CF 273464a_100102880703_100016993582 [0,1,0,0,0,0|3,0,0]=4 1346 B9R0.34 CNNC(=O)N[C@H](C)CF 512a_100016993582_100102880703 [0,1,0,0,0,0|3,0,0]=4 1347 B9R0.34 CNNC(=O)N[C@H](C)CF 512a_100102880703_100016993582 [0,1,0,0,0,0|3,0,0]=4 1348 B9R0.34 CNNC(=O)N[C@H](C)CO 273464a_100000737577_100016993582 [0,1,0,0,0,0|3,0,0]=4 1349 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100000737577_100016993582 [0,1,0,0,0,0|3,0,0]=4 1350 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100016993582_100000737577 [0,1,0,0,0,0|3,0,0]=4 1351 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,1,0,0,0,0|2,0,0]=3 1352 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 1353 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 1354 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 1355 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 1356 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,1,0,0,0,0|3,0,0]=4 1357 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,1,0,0,0,0|3,0,0]=4 1358 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,1,0,0,0,0|2,0,0]=3 1359 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 1360 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 1361 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 1362 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 1363 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,1,0,0,0,0|3,0,0]=4 1364 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,1,0,0,0,0|3,0,0]=4 1365 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,1,0,0,0,0|2,0,1]=4 1366 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,1,0,0,0,0|2,0,1]=4 1367 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,1,0,0,0,0|2,0,1]=4 1368 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [0,1,0,0,0,0|2,0,1]=4 1369 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,1,0,0,0,0|2,0,0]=3 1370 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,1,0,0,0,0|3,0,0]=4 1371 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,1,0,0,0,0|3,0,0]=4 1372 B9R0.44 C#CCC(=O)CC(C)(C)C 1458a_100000211214_100000184674 [0,1,0,0,0,0|1,0,2]=4 1373 B9R0.44 C#CCC(=O)CC(C)(C)O 1458a_100000693243_100000184674 [0,1,0,0,0,0|1,0,2]=4 1374 B9R0.44 C=CCC(=O)CC(C)(C)C 1458a_100000211214_100000210623 [0,1,0,0,0,0|1,0,2]=4 1375 B9R0.44 C=CCC(=O)CC(C)(C)O 1458a_100000693243_100000210623 [0,1,0,0,0,0|1,0,2]=4 1376 B9R0.44 CC#CC(=O)C[Si](C)(C)C 1458a_100000763181_100000233785 [0,1,0,0,0,0|1,1,1]=4 1377 B9R0.44 CC(C)(C)CC(=O)CC#N 1458a_100000211214_100011214920 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [0,1,0,0,0,0|2,0,0]=3 1379 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [0,1,0,0,0,0|2,0,0]=3 1380 B9R0.44 CC(C)(C)NC(=O)CCO 240690a_100000715429_100011216618 [0,1,0,0,0,0|3,0,0]=4 1381 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 2230a_100000174917_200025704644 [0,1,0,0,0,0|3,0,0]=4 1382 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 34a_100000174917_200025704644 [0,1,0,0,0,0|3,0,0]=4 1383 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_100000182746_200025704644 [0,1,0,0,0,0|3,0,0]=4 1384 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000182746 [0,1,0,0,0,0|3,0,0]=4 1385 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [0,1,0,0,0,0|3,0,0]=4 1386 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_100000183872_200025704644 [0,1,0,0,0,0|3,0,0]=4 1387 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_200025704644_100000183872 [0,1,0,0,0,0|3,0,0]=4 1388 B9R0.44 CC(C)(O)CC(=O)CC#N 1458a_100000693243_100011214920 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [0,1,0,0,0,0|2,0,0]=3 1390 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [0,1,0,0,0,0|2,0,0]=3 1391 B9R0.44 CC(CC(C)(C)C)OCF 7a_200011218616_100015361967 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.44 CC=CC(=O)C[Si](C)(C)C 1458a_100000210699_100000233785 [0,1,0,0,0,0|1,1,1]=4 1393 B9R0.44 CC=CC(=O)NC(C)(C)C 11a_100000715429_100000210699 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.44 CC=CC(=O)NC(C)(C)C 1626a_100000715429_100000210699 [0,1,0,0,0,0|2,0,1]=4 1395 B9R0.44 CC=CC(=O)NC(C)(C)C 240690a_100000715429_100000210699 [0,1,0,0,0,0|2,0,1]=4 1396 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,1,0,0,0,0|1,0,0]=2 1397 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,1,0,0,0,0|1,0,0]=2 1398 B9R0.44 CCCC(=O)CC(F)(F)F 1458a_100000245130_100000210303 [0,1,0,0,0,0|3,0,0]=4 1399 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,1,0,0,0,0|3,0,0]=4 1400 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,1,0,0,0,0|2,0,0]=3 1401 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,1,0,0,0,0|1,1,0]=3 1402 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,1,0,0,0,0|1,1,0]=3 1403 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,1,0,0,0,0|2,0,0]=3 1404 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,1,0,0,0,0|2,0,0]=3 1405 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,1,0,0,0,0|2,0,0]=3 1406 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,1,0,0,0,0|2,0,0]=3 1407 B9R0.44 CCCN(C)CC(C)(C)C 2230a_100000742839_100000210303 [0,1,0,0,0,0|3,0,0]=4 1408 B9R0.44 CCCN(C)CC(C)(C)C 2230a_107254831479_200000210301 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.44 CCCN(C)CC(C)(C)C 269982a_100000742839_100000210303 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.44 CCCN(C)CC(C)(C)C 269982a_107254831479_200000210301 [0,1,0,0,0,0|3,0,0]=4 1411 B9R0.44 CCCN(C)CC(C)(C)C 270004a_100000747261_100011204126 [0,1,0,0,0,0|3,0,0]=4 1412 B9R0.44 CCCN(C)CC(C)(C)O 2230a_100000755907_100000210303 [0,1,0,0,0,0|3,0,0]=4 1413 B9R0.44 CCCN(C)CC(C)(C)O 269982a_100000755907_100000210303 [0,1,0,0,0,0|3,0,0]=4 1414 B9R0.44 CCCN([13CH3])CC(C)(C)C 2230a_107254831479_200025704644 [0,1,0,0,0,0|3,0,0]=4 1415 B9R0.44 CCCN([13CH3])CC(C)(C)C 269982a_107254831479_200025704644 [0,1,0,0,0,0|3,0,0]=4 1416 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,1,0,0,0,0|1,0,0]=2 1417 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,1,0,0,0,0|1,0,0]=2 1418 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,1,0,0,0,0|1,0,0]=2 1419 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,1,0,0,0,0|1,0,0]=2 1420 B9R0.44 CCNC(=O)CC(F)(F)F 11a_100015525214_100000245130 [0,1,0,0,0,0|3,0,0]=4 1421 B9R0.44 CCNC(=O)CC(F)(F)F 527a_100015525214_100000245130 [0,1,0,0,0,0|3,0,0]=4 1422 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,1,0,0,0,0|3,0,0]=4 1423 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,1,0,0,0,0|3,0,0]=4 1424 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,1,0,0,0,0|3,0,0]=4 1425 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,1,0,0,0,0|2,0,0]=3 1426 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,1,0,0,0,0|2,0,0]=3 1427 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,1,0,0,0,0|2,0,0]=3 1428 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,1,0,0,0,0|1,1,0]=3 1429 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [0,1,0,0,0,0|2,0,0]=3 1430 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [0,1,0,0,0,0|2,0,0]=3 1431 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [0,1,0,0,0,0|2,0,0]=3 1432 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [0,1,0,0,0,0|2,0,0]=3 1433 B9R0.44 CCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210202 [0,1,0,0,0,0|2,0,1]=4 1434 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,1,0,0,0,0|1,0,1]=3 1435 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_100000174917_200000210301 [0,1,0,0,0,0|3,0,0]=4 1436 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_106832991635_100000182746 [0,1,0,0,0,0|3,0,0]=4 1437 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100000174917_200000210301 [0,1,0,0,0,0|3,0,0]=4 1438 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100102657272_100000182746 [0,1,0,0,0,0|3,0,0]=4 1439 B9R0.44 CNCC(=O)NC(C)(C)C 7a_106832991635_100000182746 [0,1,0,0,0,0|3,0,0]=4 1440 B9R0.44 CNCC(=O)OC(C)(C)C 2230a_106832991635_100000183872 [0,1,0,0,0,0|3,0,0]=4 1441 B9R0.44 CNCC(=O)OC(C)(C)C 34a_100102657272_100000183872 [0,1,0,0,0,0|3,0,0]=4 1442 B9R0.44 CNCC(=O)OC(C)(C)C 7a_106832991635_100000183872 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [0,1,0,0,0,0|2,0,0]=3 1444 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [0,1,0,0,0,0|2,0,0]=3 1445 B9R0.44 CNNC(=O)C[N+](C)(C)C 22a_100016993582_100000033712 [0,1,0,0,0,0|3,0,0]=4 1446 B9R0.44 CNNC(=O)NC(C)(C)C 273464a_100000715429_100016993582 [0,1,0,0,0,0|3,0,0]=4 1447 B9R0.44 CNNC(=O)NC(C)(C)C 512a_100000715429_100016993582 [0,1,0,0,0,0|3,0,0]=4 1448 B9R0.44 COCC(=O)C[Si](C)(C)C 1458a_100000210968_100000233785 [0,1,0,0,0,0|2,1,0]=4 1449 B9R0.44 COCC(=O)NC(C)(C)C 11a_100000715429_100000210968 [0,1,0,0,0,0|3,0,0]=4 1450 B9R0.44 COCC(=O)NC(C)(C)C 1626a_100000715429_100000210968 [0,1,0,0,0,0|3,0,0]=4 1451 B9R0.44 COCC(=O)NC(C)(C)C 240690a_100000715429_100000210968 [0,1,0,0,0,0|3,0,0]=4 1452 B9R0.44 COCC(=O)NC(C)(C)C 34a_100138415774_100000182746 [0,1,0,0,0,0|3,0,0]=4 1453 B9R0.44 COCC(=O)NC(C)(C)C 527a_100000715429_100000210968 [0,1,0,0,0,0|3,0,0]=4 1454 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [0,1,0,0,0,0|3,0,0]=4 1455 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [0,1,0,0,0,0|3,0,0]=4 1456 B9R0.44 CSCC(=O)C[Si](C)(C)C 1458a_100000184570_100000233785 [0,1,0,0,0,0|2,1,0]=4 1457 B9R0.44 CSCC(=O)NC(C)(C)C 11a_100000715429_100000184570 [0,1,0,0,0,0|3,0,0]=4 1458 B9R0.44 CSCC(=O)NC(C)(C)C 1626a_100000715429_100000184570 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.44 CSCC(=O)NC(C)(C)C 240690a_100000715429_100000184570 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.44 CSCC(=O)NC(C)(C)C 527a_100000715429_100000184570 [0,1,0,0,0,0|3,0,0]=4 1461 B9R0.44 CSCC(=O)NC(C)(C)C 62a_100000182746_200000210301 [0,1,0,0,0,0|3,0,0]=4 1462 B9R0.44 CSCC(=O)NC(C)(C)C 62a_200000210301_100000182746 [0,1,0,0,0,0|3,0,0]=4 1463 B9R0.44 CSCC(=O)OC(C)(C)C 62a_100000183872_200000210301 [0,1,0,0,0,0|3,0,0]=4 1464 B9R0.44 CSCC(=O)OC(C)(C)C 62a_200000210301_100000183872 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.44 C[N+](C)(C)CC(=O)CCF 1458a_100000033712_100011217306 [0,1,0,0,0,0|3,0,0]=4 1466 B9R0.44 C[N+](C)(C)CC(=O)CCO 1458a_100000033712_100000211926 [0,1,0,0,0,0|3,0,0]=4 1467 B9R0.44 C[Si](C)(C)CC(=O)CCF 1458a_100011218504_100011217306 [0,1,0,0,0,0|2,1,0]=4 1468 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011216618_100000233785 [0,1,0,0,0,0|2,1,0]=4 1469 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011218504_100000211926 [0,1,0,0,0,0|2,1,0]=4 1470 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,0|1,0,1]=3 1471 B9R0.53 C=C(C)CC(=O)CN(C)C 1458a_100000750896_100000748629 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,0,0,0,0|1,0,2]=4 1473 B9R0.53 C=C(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748629 [0,1,0,0,0,0|2,0,1]=4 1474 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,1,0,0,0,0|1,0,2]=4 1475 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,0|1,0,1]=3 1476 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,0|1,0,1]=3 1477 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,0|1,0,1]=3 1478 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,0|1,0,2]=4 1479 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,1,0,0,0,0|2,0,1]=4 1480 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,1,0,0,0,0|2,0,1]=4 1481 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,1,0,0,0,0|1,0,2]=4 1482 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,1,0,0,0,0|1,0,2]=4 1483 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,1,0,0,0,0|1,0,2]=4 1484 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 1485 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 1486 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 1487 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,1,0,0,0,0|2,0,1]=4 1488 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,1,0,0,0,0|2,0,1]=4 1489 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,0|2,0,1]=4 1490 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,0|1,0,1]=3 1491 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,0,0,0,0|2,0,1]=4 1492 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,1,0,0,0,0|2,0,1]=4 1493 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,0|2,0,1]=4 1495 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,0|2,0,1]=4 1496 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,1,0,0,0,0|1,0,0]=2 1497 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,0|1,0,0]=2 1498 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,1,0,0,0,0|2,0,0]=3 1499 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,1,0,0,0,0|2,0,0]=3 1500 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,0|1,0,0]=2 1501 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,1,0,0,0,0|3,0,0]=4 1502 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,1,0,0,0,0|2,0,0]=3 1503 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,1,0,0,0,0|1,0,0]=2 1504 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,1,0,0,0,0|1,0,0]=2 1505 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,1,0,0,0,0|1,0,0]=2 1506 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,1,0,0,0,0|1,0,0]=2 1507 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,1,0,0,0,0|2,0,1]=4 1508 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,1,0,0,0,0|2,0,1]=4 1509 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,1,0,0,0,0|2,0,1]=4 1510 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,0,0,0,0|1,0,1]=3 1511 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,0,0,0,0|1,0,1]=3 1512 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,0,0,0,0|1,0,1]=3 1513 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,1,0,0,0,0|1,1,1]=4 1514 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,1,0,0,0,0|1,1,1]=4 1515 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000201412_200000210301 [0,1,0,0,0,0|3,0,0]=4 1516 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000747067_100000210760 [0,1,0,0,0,0|3,0,0]=4 1517 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000201412_200000210301 [0,1,0,0,0,0|3,0,0]=4 1518 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000747067_100000210624 [0,1,0,0,0,0|3,0,0]=4 1519 B9R0.53 CC(C)CN(C)CC(C)C 270004a_100000747067_100000210432 [0,1,0,0,0,0|3,0,0]=4 1520 B9R0.53 CC(C)CN(C)CC(C)C 34a_100000201412_200000210301 [0,1,0,0,0,0|3,0,0]=4 1521 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,1,0,0,0,0|3,0,0]=4 1522 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,1,0,0,0,0|3,0,0]=4 1523 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,1,0,0,0,0|3,0,0]=4 1524 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,1,0,0,0,0|3,0,0]=4 1525 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,1,0,0,0,0|3,0,0]=4 1526 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,1,0,0,0,0|3,0,0]=4 1528 B9R0.53 CC(C)CN([13CH3])CC(C)C 2230a_100000201412_200025704644 [0,1,0,0,0,0|3,0,0]=4 1529 B9R0.53 CC(C)CN([13CH3])CC(C)C 269982a_100000201412_200025704644 [0,1,0,0,0,0|3,0,0]=4 1530 B9R0.53 CC(C)CN([13CH3])CC(C)C 34a_100000201412_200025704644 [0,1,0,0,0,0|3,0,0]=4 1531 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,1,0,0,0,0|2,0,0]=3 1532 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,1,0,0,0,0|2,0,0]=3 1533 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,1,0,0,0,0|2,0,0]=3 1534 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,1,0,0,0,0|2,0,0]=3 1535 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,1,0,0,0,0|2,0,0]=3 1536 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,1,0,0,0,0|2,0,0]=3 1537 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,1,0,0,0,0|2,0,0]=3 1538 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,1,0,0,0,0|2,0,0]=3 1539 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,1,0,0,0,0|2,0,0]=3 1540 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,1,0,0,0,0|2,0,0]=3 1541 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,1,0,0,0,0|2,0,0]=3 1542 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,1,0,0,0,0|2,0,0]=3 1543 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,1,0,0,0,0|2,0,0]=3 1544 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,1,0,0,0,0|2,0,0]=3 1545 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,1,0,0,0,0|2,0,0]=3 1546 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,1,0,0,0,0|2,0,0]=3 1547 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,1,0,0,0,0|1,0,0]=2 1548 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,1,0,0,0,0|1,0,0]=2 1549 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,1,0,0,0,0|2,0,0]=3 1550 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,1,0,0,0,0|2,0,0]=3 1551 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,1,0,0,0,0|2,0,0]=3 1552 B9R0.53 CN(C)CC(=O)CC(F)F 1458a_100000750896_100011934356 [0,1,0,0,0,0|3,0,0]=4 1553 B9R0.53 C[C@@H](O)CC(=O)CC(F)F 1458a_100011933948_100011934356 [0,1,0,0,0,0|3,0,0]=4 1554 B9R0.53 C[S+](C)CC(=O)CC(F)F 1458a_200159257847_100011934356 [0,1,0,0,0,0|3,0,0]=4 1555 B9R0.58 CCCS(=O)(=O)NC(C)C 270084a_100138425928_100000211391 [0,1,0,0,0,0|3,0,0]=4 1556 B9R0.58 CCCS(=O)(=O)NC(C)C 274078a_100138425928_100000211391 [0,1,0,0,0,0|3,0,0]=4 1557 B9R0.58 CCNC(C)(C)CC(C)C 2230a_100011346068_100000210202 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.58 CCNS(=O)(=O)CC(C)C 270084a_100015525214_100000748289 [0,1,0,0,0,0|2,0,0]=3 1559 B9R0.58 CCNS(=O)(=O)CC(C)C 274078a_100015525214_100000748289 [0,1,0,0,0,0|2,0,0]=3 1560 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,0,0,1,0,0|2,0,1]=4 1561 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,0,1,0,0|3,0,0]=4 1562 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,0,1,0,0|3,0,0]=4 1563 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,0,1,0,0|3,0,0]=4 1564 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,0,0,1,0,0|2,0,1]=4 1565 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,1,0,0|1,0,1]=3 1566 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,0,0,1,0,0|2,0,1]=4 1567 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,0,0,1,0,0|2,0,1]=4 1568 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,0,0,1,0,0|2,0,1]=4 1569 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,0,0,1,0,0|2,0,1]=4 1570 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,0,0,1,0,0|2,0,1]=4 1571 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,0,0,1,0,0|2,0,1]=4 1572 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [0,0,0,1,0,0|3,0,0]=4 1573 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [0,0,0,1,0,0|3,0,0]=4 1574 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [0,0,0,1,0,0|3,0,0]=4 1575 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,0,0,1,0,0|2,0,1]=4 1576 B9R1.13 CN(C)CC1=NCCN1 269982a_100102631434_100000737910 [0,0,0,1,0,0|3,0,0]=4 1577 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,0,0,1,0,0|2,0,1]=4 1578 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,0,0,1,0,0|2,0,1]=4 1579 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,0,0,1,0,0|2,0,1]=4 1580 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,0,0,1,0,0|2,0,1]=4 1581 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,0,0,1,0,0|2,0,1]=4 1582 B9R1.13 CN(C)CC1OCCO1 2230a_100102631434_100000755774 [0,0,0,1,0,0|1,0,2]=4 1583 B9R1.13 CN(C)CC1OCCO1 2230a_200000032744_200000210301 [0,0,0,1,0,0|1,0,2]=4 1584 B9R1.13 CN(C)CC1OCCO1 269982a_100102631434_100000755774 [0,0,0,1,0,0|1,0,2]=4 1585 B9R1.13 CN(C)CC1OCCO1 269982a_200000032744_200000210301 [0,0,0,1,0,0|1,0,2]=4 1586 B9R1.13 CN(C)CC1OCCO1 34a_200000032744_200000210301 [0,0,0,1,0,0|1,0,2]=4 1587 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,0,0,1,0,0|2,0,1]=4 1588 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,0,0,1,0,0|2,0,1]=4 1589 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,0,0,1,0,0|2,0,1]=4 1590 B9R1.13 CN([13CH3])CC1OCCO1 2230a_200000032744_200025704644 [0,0,0,1,0,0|1,0,2]=4 1591 B9R1.13 CN([13CH3])CC1OCCO1 269982a_200000032744_200025704644 [0,0,0,1,0,0|1,0,2]=4 1592 B9R1.13 CN([13CH3])CC1OCCO1 34a_200000032744_200025704644 [0,0,0,1,0,0|1,0,2]=4 1593 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,0,0,1,0,0|3,0,0]=4 1594 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,0,0,1,0,0|3,0,0]=4 1595 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,0,0,1,0,0|3,0,0]=4 1596 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,0,0,1,0,0|3,0,0]=4 1597 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,0,0,1,0,0|3,0,0]=4 1598 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,0,0,1,0,0|3,0,0]=4 1599 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,0,0,1,0,0|3,0,0]=4 1600 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,0,0,1,0,0|3,0,0]=4 1601 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [0,0,0,1,0,0|3,0,0]=4 1602 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [0,0,0,1,0,0|3,0,0]=4 1603 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [0,0,0,1,0,0|3,0,0]=4 1604 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [0,0,0,1,0,0|3,0,0]=4 1605 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [0,0,0,1,0,0|3,0,0]=4 1606 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [0,0,0,1,0,0|3,0,0]=4 1607 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,0,0,1,0,0|2,0,1]=4 1608 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,0,0,1,0,0|2,0,1]=4 1609 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,0,0,1,0,0|2,0,1]=4 1610 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,0,0,1,0,0|2,0,1]=4 1611 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,0,0,1,0,0|2,0,1]=4 1612 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,0,0,1,0,0|2,0,1]=4 1613 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|2,0,1]=4 1614 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,0|1,0,1]=3 1615 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [0,0,0,1,0,0|3,0,0]=4 1616 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [0,0,0,1,0,0|3,0,0]=4 1617 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [0,0,0,1,0,0|3,0,0]=4 1618 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [0,0,0,1,0,0|3,0,0]=4 1619 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [0,0,0,1,0,0|3,0,0]=4 1620 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [0,0,0,1,0,0|3,0,0]=4 1621 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [0,0,0,1,0,0|2,0,1]=4 1622 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,0,0,1,0,0|2,0,0]=3 1623 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,0,0,1,0,0|2,0,0]=3 1624 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,0,0,1,0,0|1,0,0]=2 1625 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,0,0,1,0,0|1,0,0]=2 1626 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|2,0,0]=3 1627 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|2,0,0]=3 1628 B9R1.53 CC(C)CN1CC(C1)C 2230a_100000702820_100000210760 [0,0,0,1,0,0|3,0,0]=4 1629 B9R1.53 CC(C)CN1CC(C1)C 269982a_100000702820_100000210624 [0,0,0,1,0,0|3,0,0]=4 1630 B9R1.53 CC(C)CN1CC(C1)C 270004a_100000702820_100000210432 [0,0,0,1,0,0|3,0,0]=4 1631 B9R1.53 CC(C)CN1CC(C1)C 34a_100000702820_100000210624 [0,0,0,1,0,0|3,0,0]=4 1632 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1633 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1634 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1635 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1636 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1637 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1638 B9R1.75 C#CCC(=O)CC1CC1 1458a_100000738066_100000184674 [0,0,0,1,0,0|1,0,2]=4 1639 B9R1.75 C#CCC(=O)CC1CC1 1458a_100011220946_100000742324 [0,0,0,1,0,0|1,0,2]=4 1640 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,0,0,1,0,0|1,0,2]=4 1641 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,0,0,1,0,0|1,0,2]=4 1642 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,0,0,1,0,0|1,0,1]=3 1643 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,0,0,1,0,0|2,0,1]=4 1644 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,0,0,1,0,0|2,0,1]=4 1645 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,0,0,1,0,0|2,0,1]=4 1646 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,0,0,1,0,0|1,0,1]=3 1647 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,0,0,1,0,0|2,0,1]=4 1648 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,0,0,1,0,0|2,0,1]=4 1649 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,0,0,1,0,0|2,0,1]=4 1650 B9R1.75 CC=CC(=O)NC1CC1 1626a_100000212008_100000210699 [0,0,0,1,0,0|2,0,1]=4 1651 B9R1.75 CC=CC(=O)NC1CC1 240690a_100000212008_100000210699 [0,0,0,1,0,0|2,0,1]=4 1652 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,0|1,0,0]=2 1653 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,0|1,0,0]=2 1654 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,0|2,0,0]=3 1655 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|2,0,0]=3 1656 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,0|2,0,0]=3 1657 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,0,0,1,0,0|2,0,0]=3 1658 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,0,0,1,0,0|2,0,0]=3 1659 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,0,0,1,0,0|2,0,0]=3 1660 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [0,0,0,1,0,0|3,0,0]=4 1661 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [0,0,0,1,0,0|3,0,0]=4 1662 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [0,0,0,1,0,0|3,0,0]=4 1663 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [0,0,0,1,0,0|3,0,0]=4 1664 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [0,0,0,1,0,0|3,0,0]=4 1665 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [0,0,0,1,0,0|3,0,0]=4 1666 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [0,0,0,1,0,0|3,0,0]=4 1667 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [0,0,0,1,0,0|3,0,0]=4 1668 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [0,0,0,1,0,0|3,0,0]=4 1669 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [0,0,0,1,0,0|3,0,0]=4 1670 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,0|1,0,0]=2 1671 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,0|1,0,0]=2 1672 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,0|1,0,0]=2 1673 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,0,0,1,0,0|2,0,0]=3 1674 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,0,0,1,0,0|2,0,0]=3 1675 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,0,0,1,0,0|2,0,0]=3 1676 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,0,0,1,0,0|2,0,0]=3 1677 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,0,0,1,0,0|2,0,0]=3 1678 B9R1.75 CCNC(C)CC1CC1 270004a_100015525214_200000686933 [0,0,0,1,0,0|2,0,1]=4 1679 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,0,0,1,0,0|3,0,0]=4 1680 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,0,0,1,0,0|3,0,0]=4 1681 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,0,0,1,0,0|3,0,0]=4 1682 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,0,0,1,0,0|3,0,0]=4 1683 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,0,0,1,0,0|2,0,0]=3 1684 B9R1.75 CNNC(=O)NC1CC1 273464a_100000212008_100016993582 [0,0,0,1,0,0|3,0,0]=4 1685 B9R1.75 CNNC(=O)NC1CC1 512a_100000212008_100016993582 [0,0,0,1,0,0|3,0,0]=4 1686 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,0,0,1,0,0|2,0,0]=3 1687 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,0,0,1,0,0|3,0,0]=4 1688 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,0,0,1,0,0|3,0,0]=4 1689 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,0,0,1,0,0|3,0,0]=4 1690 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,0,0,1,0,0|3,0,0]=4 1691 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,0,0,1,0,0|3,0,0]=4 1692 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,0,0,1,0,0|3,0,0]=4 1693 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,0,0,1,0,0|3,0,0]=4 1694 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,0,0,1,0,0|2,0,0]=3 1695 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,0,0,1,0,0|3,0,0]=4 1696 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,0,0,1,0,0|3,0,0]=4 1697 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,0,0,1,0,0|3,0,0]=4 1698 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [0,0,0,1,0,0|3,0,0]=4 1699 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [0,0,0,1,0,0|3,0,0]=4 1700 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [0,0,0,1,0,0|3,0,0]=4 1701 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [0,0,0,1,0,0|3,0,0]=4 1702 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [0,0,0,1,0,0|3,0,0]=4 1703 B9R1.75 N#CCC(=O)CC1CC1 1458a_100000738066_100011214920 [0,0,0,1,0,0|2,0,1]=4 1704 B9R1.75 N#CCC(=O)CC1CC1 1458a_100051588842_100000742324 [0,0,0,1,0,0|2,0,1]=4 1705 B9R1.75 O=C(C=CBr)CC1CC1 1458a_100016273825_100000742324 [0,0,0,1,0,0|2,0,1]=4 1706 B9R1.75 O=C(C=CCl)CC1CC1 1458a_200016279998_100000742324 [0,0,0,1,0,0|2,0,1]=4 1707 B9R1.75 O=C(C=CI)CC1CC1 1458a_100016256311_100000742324 [0,0,0,1,0,0|2,0,1]=4 1708 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,0,0,1,0,0|2,0,0]=3 1709 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,0,0,1,0,0|2,0,0]=3 1710 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,0,0,1,0,0|2,0,0]=3 1711 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,0,0,1,0,0|3,0,0]=4 1712 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,0,0,1,0,0|3,0,0]=4 1713 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,0,0,1,0,0|3,0,0]=4 1714 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [0,0,0,1,0,0|3,0,0]=4 1715 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,0,0,1,0,0|3,0,0]=4 1716 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [0,0,0,1,0,0|3,0,0]=4 1717 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [0,0,0,1,0,0|3,0,0]=4 1718 B9R1.136 CCCN1CC(C1)(C)C 2230a_100000753659_100000210303 [0,0,0,1,0,0|3,0,0]=4 1719 B9R1.136 CCCN1CC(C1)(C)C 269982a_100000753659_100000210303 [0,0,0,1,0,0|3,0,0]=4 1720 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,0,1,0,0|1,0,2]=4 1721 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,0,1,0,0|2,0,1]=4 1722 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,0,0,1,0,0|1,0,0]=2 1723 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,0,0,1,0,0|2,0,0]=3 1724 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000226674_100000210760 [0,0,0,1,0,0|3,0,0]=4 1725 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000737031_200000210301 [0,0,0,1,0,0|3,0,0]=4 1726 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000226674_100000210624 [0,0,0,1,0,0|3,0,0]=4 1727 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000737031_200000210301 [0,0,0,1,0,0|3,0,0]=4 1728 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000747067_100000211595 [0,0,0,1,0,0|3,0,0]=4 1729 B9R1.137 CC(C)CN(C)C1CC1 270004a_100000226674_100000210432 [0,0,0,1,0,0|3,0,0]=4 1730 B9R1.137 CC(C)CN(C)C1CC1 34a_100000737031_200000210301 [0,0,0,1,0,0|3,0,0]=4 1731 B9R1.137 CC(C)CN([13CH3])C1CC1 2230a_100000737031_200025704644 [0,0,0,1,0,0|3,0,0]=4 1732 B9R1.137 CC(C)CN([13CH3])C1CC1 269982a_100000737031_200025704644 [0,0,0,1,0,0|3,0,0]=4 1733 B9R1.137 CC(C)CN([13CH3])C1CC1 34a_100000737031_200025704644 [0,0,0,1,0,0|3,0,0]=4 1734 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,0,0,1,0,0|2,0,0]=3 1735 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,0,0,1,0,0|2,0,0]=3 1736 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,0,0,1,0,0|2,0,0]=3 1737 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,0,0,1,0,0|2,0,0]=3 1738 B9R1.137 CC(C)NC(=O)C1CO1 11a_100138425928_100000701028 [0,0,0,1,0,0|3,0,0]=4 1739 B9R1.137 CC(C)NC(=O)C1CO1 1626a_100138425928_100000701028 [0,0,0,1,0,0|3,0,0]=4 1740 B9R1.137 CC(C)NC(=O)C1CO1 240690a_100138425928_100000701028 [0,0,0,1,0,0|3,0,0]=4 1741 B9R1.137 CC(C)NC(=O)C1CO1 527a_100138425928_100000701028 [0,0,0,1,0,0|3,0,0]=4 1742 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,0,1,0,0|2,0,0]=3 1743 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [0,0,0,1,0,0|3,0,0]=4 1744 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [0,0,0,1,0,0|2,0,0]=3 1745 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [0,0,0,1,0,0|2,0,0]=3 1746 B9R1.137 O=C(CC(F)F)C1CC1 1458a_100000210395_100011934356 [0,0,0,1,0,0|3,0,0]=4 1747 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [0,0,0,1,0,0|1,0,2]=4 1748 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,0,0,1,0,0|1,0,2]=4 1749 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [0,0,0,1,0,0|2,0,1]=4 1750 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,0,0,1,0,0|2,0,0]=3 1751 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,0,0,1,0,0|2,0,0]=3 1752 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|1,0,0]=2 1753 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|2,0,0]=3 1754 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|1,0,0]=2 1755 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|1,0,0]=2 1756 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1757 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1758 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1759 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,0,0,1,0,0|2,0,0]=3 1760 B9R1.183 CNNC(=O)[C@@H]1C[C@@H]1F 22a_100016993582_100015396687 [0,0,0,1,0,0|3,0,0]=4 1761 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,0,0,1,0,0|3,0,0]=4 1762 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,0,0,1,0,0|3,0,0]=4 1763 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,0,0,0,1,0|1,0,2]=4 1764 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,0,0,0,1,0|1,0,2]=4 1765 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,1,0|1,0,2]=4 1766 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,0,0,1,0|1,0,2]=4 1767 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,0,0,0,1,0|1,0,2]=4 1768 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,0,0,0,1,0|1,0,2]=4 1769 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,0,0,0,1,0|1,0,1]=3 1770 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,0,0,0,1,0|2,0,1]=4 1771 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,0,0,0,1,0|2,0,1]=4 1772 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,0,0,0,1,0|2,0,1]=4 1773 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,0,0,0,1,0|2,0,1]=4 1774 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,0,0,0,1,0|2,0,1]=4 1775 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,0,0,0,1,0|2,0,0]=3 1776 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,0,0,0,1,0|2,0,0]=3 1777 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,0,0,0,1,0|2,0,0]=3 1778 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,0,0,0,1,0|2,0,0]=3 1779 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,0,0,0,1,0|2,0,0]=3 1780 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,0,0,0,1,0|2,0,1]=4 1781 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,0,0,0,1,0|3,0,0]=4 1782 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,0,0,0,1,0|3,0,0]=4 1783 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,0,0,0,1,0|1,0,1]=3 1784 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,0,0,0,1,0|2,0,1]=4 1785 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,0,0,0,1,0|2,0,1]=4 1786 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,0,0,0,1,0|2,0,1]=4 1787 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,0,0,1,0|1,0,0]=2 1788 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,0,0,1,0|1,0,0]=2 1789 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,0,0,1,0|2,0,0]=3 1790 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,0,0,1,0|3,0,0]=4 1791 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,0,0,1,0|2,0,0]=3 1792 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,0,0,1,0|2,0,0]=3 1793 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,0,0,1,0|2,0,0]=3 1794 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,0,0,1,0|2,0,0]=3 1795 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,1,0|2,0,0]=3 1796 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,1,0|2,0,0]=3 1797 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,0,0,0,1,0|3,0,0]=4 1798 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,0,0,0,1,0|3,0,0]=4 1799 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,0,0,0,1,0|3,0,0]=4 1800 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,0,0,0,1,0|3,0,0]=4 1801 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,0,0,0,1,0|3,0,0]=4 1802 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,0,0,0,1,0|3,0,0]=4 1803 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,0,0,0,1,0|3,0,0]=4 1804 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,1,0|2,0,1]=4 1805 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,1,0|2,0,1]=4 1806 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,0,0,1,0|1,0,0]=2 1807 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,0,0,1,0|1,0,0]=2 1808 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,0,0,1,0|1,0,0]=2 1809 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,0,0,1,0|2,0,0]=3 1810 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,0,0,1,0|2,0,0]=3 1811 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,0,0,1,0|2,0,0]=3 1812 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,0,0,0,1,0|3,0,0]=4 1813 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,0,0,0,1,0|3,0,0]=4 1814 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,0,0,0,1,0|3,0,0]=4 1815 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,0,0,0,1,0|3,0,0]=4 1816 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,0,0,0,1,0|2,0,0]=3 1817 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,0,0,1,0|2,0,0]=3 1818 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,0,0,1,0|2,0,0]=3 1819 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,0,0,0,1,0|2,0,1]=4 1820 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,0,0,1,0|1,0,1]=3 1821 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,0,0,0,1,0|3,0,0]=4 1822 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,0,0,0,1,0|3,0,0]=4 1823 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,0,0,0,1,0|3,0,0]=4 1824 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,0,0,0,1,0|3,0,0]=4 1825 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,0,0,0,1,0|2,0,0]=3 1826 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,0,0,0,1,0|2,0,0]=3 1827 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,0,0,0,1,0|2,0,0]=3 1828 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,0,0,0,1,0|3,0,0]=4 1829 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,0,0,0,1,0|3,0,0]=4 1830 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,0,0,0,1,0|3,0,0]=4 1831 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,0,0,0,1,0|3,0,0]=4 1832 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,0,0,0,1,0|2,0,0]=3 1833 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,0,0,0,1,0|3,0,0]=4 1834 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,0,0,0,1,0|3,0,0]=4 1835 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,0,0,0,1,0|3,0,0]=4 1836 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,0,0,0,1,0|2,0,0]=3 1837 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,0,0,0,1,0|2,0,0]=3 1838 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,0,0,0,1,0|3,0,0]=4 1839 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,0,0,0,1,0|3,0,0]=4 1840 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,0,0,0,1,0|3,0,0]=4 1841 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,0,0,0,1,0|3,0,0]=4 1842 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,0,0,0,1,0|3,0,0]=4 1843 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,0,0,0,1,0|2,0,0]=3 1844 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,0,0,0,1,0|2,0,0]=3 1845 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,0,0,0,1,0|2,0,0]=3 1846 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,0,0,0,1,0|3,0,0]=4 1847 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,0,0,0,1,0|3,0,0]=4 1848 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,0,0,0,1,0|3,0,0]=4 1849 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,0,0,0,1,0|3,0,0]=4 1850 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,0,0,0,1,0|3,0,0]=4 1851 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,0,0,0,1,0|3,0,0]=4 1852 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,0,0,0,1,0|3,0,0]=4 1853 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,0,0,0,1,0|3,0,0]=4 1854 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,0,0,0,1,0|3,0,0]=4 1855 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,0,0,0,1,0|3,0,0]=4 1856 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,0,0,0,0,1|1,0,2]=4 1857 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,0,0,0,0,1|1,0,2]=4 1858 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,0,0,0,0,1|1,0,2]=4 1859 B9R0.48 C#CCC(=O)CSC(C)C 1458a_100000241585_100000184674 [0,0,0,0,0,1|1,0,2]=4 1860 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [0,0,0,0,0,1|1,0,2]=4 1861 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [0,0,0,0,0,1|1,0,2]=4 1862 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,0,1|1,0,2]=4 1863 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,0,1|1,0,2]=4 1864 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,0,1|1,0,2]=4 1865 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,0,1|1,0,2]=4 1866 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,0,1|1,0,2]=4 1867 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,0,1|1,0,2]=4 1868 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,0,1|1,0,2]=4 1869 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,0,1|1,0,2]=4 1870 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,0,1|1,0,2]=4 1871 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,0,0,0,0,1|1,0,2]=4 1872 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,0,0,0,0,1|1,0,2]=4 1873 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,0,0,0,0,1|1,0,2]=4 1874 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,0,0,0,0,1|1,0,2]=4 1875 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,0,0,0,0,1|1,0,2]=4 1876 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,0,0,0,0,1|1,0,2]=4 1877 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,0,0,0,0,1|1,0,2]=4 1878 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,0,0,0,0,1|1,0,2]=4 1879 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,0,0,0,0,1|1,0,2]=4 1880 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,0,0,0,0,1|1,0,2]=4 1881 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,0,0,0,0,1|1,0,2]=4 1882 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,0,0,0,0,1|1,0,2]=4 1883 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,0,0,0,0,1|1,0,2]=4 1884 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,0,0,0,0,1|1,0,2]=4 1885 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,0,0,0,0,1|0,0,2]=3 1886 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,0,0,0,0,1|0,0,2]=3 1887 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,0,0,0,0,1|0,0,2]=3 1888 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,0,0,0,0,1|0,0,2]=3 1889 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,0,0,0,0,1|0,0,2]=3 1890 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [0,0,0,0,0,1|1,0,2]=4 1891 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,0,0,0,0,1|1,0,1]=3 1892 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,0,0,0,0,1|2,0,1]=4 1893 B9R0.48 CC#CC(=O)NNC(C)C 22a_100000741168_100000763181 [0,0,0,0,0,1|2,0,1]=4 1894 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,0,1|2,0,1]=4 1895 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,0,1|2,0,1]=4 1896 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,0,1|2,0,1]=4 1897 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,0,0,0,0,1|2,0,1]=4 1898 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,0,0,0,0,1|2,0,1]=4 1899 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,0,0,0,0,1|2,0,1]=4 1900 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,0,0,0,0,1|2,0,1]=4 1901 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,0,0,0,0,1|2,0,1]=4 1902 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,0,0,0,0,1|2,0,1]=4 1903 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,0,0,0,0,1|2,0,1]=4 1904 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,0,0,0,0,1|2,0,0]=3 1905 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,0,1|2,0,0]=3 1906 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,0,1|2,0,0]=3 1907 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,0,0,0,0,1|2,0,1]=4 1908 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,0,0,0,0,1|2,0,1]=4 1909 B9R0.48 CC(C)CNC(=O)C=CBr 1626a_100000210953_100016273825 [0,0,0,0,0,1|2,0,1]=4 1910 B9R0.48 CC(C)CNC(=O)C=CBr 240690a_100000210953_100016273825 [0,0,0,0,0,1|2,0,1]=4 1911 B9R0.48 CC(C)CNC(=O)C=CCl 11a_100000210953_200016279998 [0,0,0,0,0,1|2,0,1]=4 1912 B9R0.48 CC(C)CNC(=O)C=CCl 1626a_100000210953_200016279998 [0,0,0,0,0,1|2,0,1]=4 1913 B9R0.48 CC(C)CNC(=O)C=CCl 240690a_100000210953_200016279998 [0,0,0,0,0,1|2,0,1]=4 1914 B9R0.48 CC(C)CNC(=O)C=CI 1626a_100000210953_100016256311 [0,0,0,0,0,1|2,0,1]=4 1915 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [0,0,0,0,0,1|2,0,1]=4 1916 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [0,0,0,0,0,1|2,0,1]=4 1917 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,0,0,0,0,1|2,0,0]=3 1918 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,0,0,0,0,1|2,0,0]=3 1919 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,0,0,0,0,1|2,0,0]=3 1920 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,0,0,0,0,1|2,0,0]=3 1921 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,0,0,0,0,1|2,0,0]=3 1922 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,0,0,0,0,1|3,0,0]=4 1923 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,0,0,0,0,1|2,0,1]=4 1924 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,0,0,0,0,1|2,0,0]=3 1925 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,0,0,0,0,1|2,0,0]=3 1926 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,0,0,0,0,1|2,0,0]=3 1927 B9R0.48 CC(C)SCC(=O)CC#N 1458a_100000241585_100011214920 [0,0,0,0,0,1|2,0,1]=4 1928 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,0,0,0,0,1|2,0,0]=3 1929 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,0,0,0,0,1|2,0,0]=3 1930 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,0,0,0,0,1|2,0,0]=3 1931 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,0,0,0,0,1|2,0,0]=3 1932 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,0,0,0,0,1|3,0,0]=4 1933 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,0,0,0,0,1|3,0,0]=4 1934 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,0,0,0,0,1|1,0,2]=4 1935 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,0,0,0,0,1|1,0,1]=3 1936 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,0,0,0,0,1|2,0,1]=4 1937 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,0,0,0,0,1|1,0,1]=3 1938 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,0,0,0,0,1|1,0,1]=3 1939 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,0,0,0,0,1|1,0,1]=3 1940 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,0,0,0,0,1|2,0,1]=4 1941 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,0,0,0,0,1|2,0,1]=4 1942 B9R0.48 CC=CC(=O)NNC(C)C 22a_100000741168_100000210699 [0,0,0,0,0,1|2,0,1]=4 1943 B9R0.48 CCCC(=NNC(C)C)C 4a_100000741168_100000211909 [0,0,0,0,0,1|3,0,0]=4 1944 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,0,0,0,0,1|1,0,1]=3 1945 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,1|1,0,1]=3 1946 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,1|1,0,1]=3 1947 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,0,1|1,0,0]=2 1948 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,0,1|1,0,0]=2 1949 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,0,1|2,0,0]=3 1950 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,0,1|2,0,0]=3 1951 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,1|2,0,1]=4 1952 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,0,1|1,0,0]=2 1953 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,1|2,0,1]=4 1954 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,0,1|1,0,0]=2 1955 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,0,0,0,0,1|3,0,0]=4 1956 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,1|2,0,1]=4 1957 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,0,1|1,0,0]=2 1958 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,0,1|1,0,0]=2 1959 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,0,1|1,0,0]=2 1960 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,0,0,0,0,1|3,0,0]=4 1961 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,0,1|1,0,0]=2 1962 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,0,1|1,0,0]=2 1963 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,0,1|1,0,0]=2 1964 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,0,1|1,0,0]=2 1965 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,0,1|2,0,0]=3 1966 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,0,1|2,0,0]=3 1967 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,0,1|2,0,0]=3 1968 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1969 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1970 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1971 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,0,0,0,0,1|3,0,0]=4 1972 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,0,0,0,0,1|2,0,0]=3 1973 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,1|2,0,1]=4 1974 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,0,0,0,0,1|2,0,0]=3 1975 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,0,0,0,0,1|2,0,0]=3 1976 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,0,0,0,0,1|2,0,1]=4 1977 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,0,0,0,0,1|2,0,1]=4 1978 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,0,0,0,0,1|2,0,1]=4 1979 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,0,0,0,0,1|2,0,1]=4 1980 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,0,0,0,0,1|2,0,1]=4 1981 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,0,0,0,0,1|2,0,1]=4 1982 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,0,0,0,0,1|2,0,1]=4 1983 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,0,0,0,0,1|2,0,1]=4 1984 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,0,0,0,0,1|2,0,1]=4 1985 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,0,0,0,0,1|2,0,1]=4 1986 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,0,0,0,0,1|2,0,1]=4 1987 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,0,0,0,0,1|2,0,1]=4 1988 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,0,0,0,0,1|2,0,1]=4 1989 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,0,0,0,0,1|2,0,1]=4 1990 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,0,0,0,0,1|2,0,1]=4 1991 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,0,0,0,0,1|2,0,1]=4 1992 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,0,0,0,0,1|2,0,1]=4 1993 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,0,0,0,0,1|3,0,0]=4 1994 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,0,0,0,0,1|3,0,0]=4 1995 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,0,0,0,0,1|3,0,0]=4 1996 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,0,0,0,0,1|3,0,0]=4 1997 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [0,0,0,0,0,1|3,0,0]=4 1998 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [0,0,0,0,0,1|3,0,0]=4 1999 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,0,0,0,0,1|2,0,1]=4 2000 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,0,0,0,0,1|1,0,1]=3 2001 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,0,0,0,0,1|1,0,1]=3 2002 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,1|1,0,1]=3 2003 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,1|1,0,1]=3 2004 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,1|1,0,1]=3 2005 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,1|2,0,1]=4 2006 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,1|2,0,1]=4 2007 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,0,0,0,0,1|1,0,0]=2 2008 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,0,0,0,0,1|1,0,0]=2 2009 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,0,0,0,0,1|1,0,0]=2 2010 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,0,0,0,0,1|2,0,0]=3 2011 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,0,0,0,0,1|2,0,0]=3 2012 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,0,0,0,0,1|2,0,0]=3 2013 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,0,0,0,0,1|2,0,0]=3 2014 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,0,0,0,0,1|2,0,0]=3 2015 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,0,0,0,0,1|2,0,0]=3 2016 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,0,0,0,0,1|2,0,0]=3 2017 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,1|2,0,1]=4 2018 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,1|2,0,1]=4 2019 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,1|2,0,1]=4 2020 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,1|2,0,1]=4 2021 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,1|2,0,1]=4 2022 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,1|2,0,1]=4 2023 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,1|2,0,1]=4 2024 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,0,0,0,1|1,0,0]=2 2025 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,0,0,0,1|1,0,0]=2 2026 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,0,0,0,1|1,0,0]=2 2027 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,1|2,0,1]=4 2028 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,1|2,0,1]=4 2029 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,0,0,0,0,1|1,0,0]=2 2030 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,0,0,0,0,1|1,0,0]=2 2031 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,0,0,0,0,1|1,0,0]=2 2032 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,0,0,0,0,1|1,0,0]=2 2033 B9R0.48 CCNC(=O)COC(F)F 11a_100015525214_200000719455 [0,0,0,0,0,1|3,0,0]=4 2034 B9R0.48 CCNC(=O)COC(F)F 240690a_100015525214_200000719455 [0,0,0,0,0,1|3,0,0]=4 2035 B9R0.48 CCNC(=O)COC(F)F 527a_100015525214_200000719455 [0,0,0,0,0,1|3,0,0]=4 2036 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,1|2,0,1]=4 2037 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,1|2,0,1]=4 2038 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,0,0,0,0,1|1,0,0]=2 2039 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,0,0,0,0,1|1,0,0]=2 2040 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,0,0,0,0,1|1,0,0]=2 2041 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,0,0,0,0,1|1,0,0]=2 2042 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,0,0,0,0,1|1,0,0]=2 2043 B9R0.48 CCNC(=O)CSC(F)F 11a_100015525214_114828291038 [0,0,0,0,0,1|3,0,0]=4 2044 B9R0.48 CCNC(=O)CSC(F)F 240690a_100015525214_114828291038 [0,0,0,0,0,1|3,0,0]=4 2045 B9R0.48 CCNC(=O)CSC(F)F 527a_100015525214_114828291038 [0,0,0,0,0,1|3,0,0]=4 2046 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,0,0,0,0,1|1,0,0]=2 2047 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,0,0,0,0,1|1,0,0]=2 2048 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,0,0,0,0,1|1,0,0]=2 2049 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,0,0,0,0,1|1,0,0]=2 2050 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,0,0,0,0,1|1,0,0]=2 2051 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,0,0,0,0,1|1,0,0]=2 2052 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,0,0,0,0,1|2,0,0]=3 2053 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,0,0,0,0,1|2,0,0]=3 2054 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,0,0,0,0,1|2,0,0]=3 2055 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,0,0,0,0,1|2,0,0]=3 2056 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,0,0,0,0,1|2,0,0]=3 2057 B9R0.48 CCNC(=O)NCC(F)F 2708a_100015525214_100000765723 [0,0,0,0,0,1|3,0,0]=4 2058 B9R0.48 CCNC(=O)NCC(F)F 273464a_100000765723_100015525214 [0,0,0,0,0,1|3,0,0]=4 2059 B9R0.48 CCNC(=O)NCC(F)F 273464a_100015525214_100000765723 [0,0,0,0,0,1|3,0,0]=4 2060 B9R0.48 CCNC(=O)NCC(F)F 512a_100000765723_100015525214 [0,0,0,0,0,1|3,0,0]=4 2061 B9R0.48 CCNC(=O)NCC(F)F 512a_100015525214_100000765723 [0,0,0,0,0,1|3,0,0]=4 2062 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,0,0,0,0,1|2,0,0]=3 2063 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,0,0,0,0,1|2,0,0]=3 2064 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,0,0,0,0,1|2,0,0]=3 2065 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,0,0,0,0,1|2,0,1]=4 2066 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,0,0,0,0,1|2,0,1]=4 2067 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,0,0,0,0,1|2,0,1]=4 2068 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,1|1,0,2]=4 2069 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,1|1,0,2]=4 2070 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,1|1,0,1]=3 2071 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,1|1,0,1]=3 2072 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,0,1|1,0,0]=2 2073 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,0,1|1,0,0]=2 2074 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,0,1|1,0,0]=2 2075 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,0,1|1,0,0]=2 2076 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,0,1|1,0,0]=2 2077 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,0,1|1,0,0]=2 2078 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,1|1,0,1]=3 2079 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,0,1|0,0,0]=1 2080 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,0,1|0,0,0]=1 2081 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,0,1|0,0,0]=1 2082 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,0,1|0,0,0]=1 2083 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,0,1|0,0,0]=1 2084 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,1|1,0,1]=3 2085 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,1|1,0,1]=3 2086 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,0,0,0,1|1,0,1]=3 2087 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,0,0,0,1|1,0,1]=3 2088 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,0,0,0,1|1,0,1]=3 2089 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,0,0,0,0,1|1,1,1]=4 2090 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,0,0,0,0,1|1,1,1]=4 2091 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,0,0,0,0,1|2,0,0]=3 2092 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,0,0,0,0,1|2,0,0]=3 2093 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,0,0,0,0,1|2,0,0]=3 2094 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [0,0,0,0,0,1|2,0,1]=4 2095 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,0,0,0,0,1|2,0,1]=4 2096 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,0,0,0,0,1|2,0,0]=3 2097 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,0,0,0,0,1|3,0,0]=4 2098 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,0,0,0,0,1|3,0,0]=4 2099 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,0,0,0,0,1|2,0,0]=3 2100 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,0,0,0,0,1|2,0,0]=3 2101 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,0,0,0,0,1|2,0,0]=3 2102 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,0,0,0,0,1|2,0,0]=3 2103 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,0,0,0,0,1|2,0,0]=3 2104 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,0,0,0,0,1|3,0,0]=4 2105 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,0,0,0,0,1|3,0,0]=4 2106 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,0,0,0,0,1|3,0,0]=4 2107 B9R0.48 CNNC(=O)NNC(C)C 512a_100000741168_100016993582 [0,0,0,0,0,1|3,0,0]=4 2108 B9R0.48 CNNC(=O)NNC(C)C 512a_100016993582_100000741168 [0,0,0,0,0,1|3,0,0]=4 2109 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,0,0,0,0,1|2,0,1]=4 2110 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,0,0,0,0,1|2,0,0]=3 2111 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,0,0,0,0,1|3,0,0]=4 2112 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,0,0,0,0,1|2,0,0]=3 2113 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,0,0,0,0,1|2,0,0]=3 2114 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,0,0,0,0,1|2,0,0]=3 2115 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,0,0,0,0,1|2,0,0]=3 2116 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,0,0,0,0,1|2,0,0]=3 2117 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,0,0,0,0,1|3,0,0]=4 2118 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,0,0,0,0,1|3,0,0]=4 2119 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,0,0,0,0,1|3,0,0]=4 2120 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,0,0,0,0,1|3,0,0]=4 2121 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,0,0,0,0,1|2,0,1]=4 2122 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,0,0,0,0,1|2,0,0]=3 2123 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,0,0,0,0,1|3,0,0]=4 2124 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,0,0,0,0,1|2,0,0]=3 2125 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,0,0,0,0,1|2,0,0]=3 2126 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,0,0,0,0,1|2,0,0]=3 2127 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,0,0,0,0,1|2,0,0]=3 2128 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,0,0,0,0,1|2,0,0]=3 2129 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,0,0,0,0,1|2,0,0]=3 2130 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,0,0,0,0,1|3,0,0]=4 2131 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,0,0,0,0,1|3,0,0]=4 2132 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,0,0,0,0,1|3,0,0]=4 2133 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,0,0,0,0,1|3,0,0]=4 2134 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,0,0,0,0,1|3,0,0]=4 2135 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,0,0,0,0,1|3,0,0]=4 2136 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 2137 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 2138 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 2139 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 2140 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 2141 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 2142 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 2143 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 2144 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 2145 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 2146 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 2147 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 2148 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 2149 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 2150 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 2151 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 2152 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 2153 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 2154 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 2155 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 2156 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 2157 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 2158 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 2159 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 2160 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 2161 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 2162 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 2163 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 2164 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2165 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2166 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2167 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 2168 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 2169 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 2170 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 2171 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 2172 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 2173 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 2174 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|2,0,0]=4 2175 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 2176 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 2177 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|2,0,0]=4 2178 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 2179 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 2180 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2181 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2182 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2183 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 2184 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 2185 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 2186 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2187 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2188 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2189 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2190 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 2191 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|1,0,1]=4 2192 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|1,0,1]=4 2193 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 2194 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 2195 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 2196 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2197 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2198 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2199 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 2200 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2201 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2202 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 2203 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2204 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2205 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2206 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 2207 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 2208 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 2209 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 2210 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 2211 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2212 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 2213 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2214 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 2215 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 2216 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 2217 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 2218 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 2219 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 2220 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 2221 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 2222 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 2223 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 2224 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|2,0,0]=4 2225 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 2226 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|2,0,0]=4 2227 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [2,0,0,0,0,0|0,0,2]=4 2228 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [2,0,0,0,0,0|2,0,0]=4 2229 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [2,0,0,0,0,0|2,0,0]=4 2230 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [2,0,0,0,0,0|2,0,0]=4 2231 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [2,0,0,0,0,0|2,0,0]=4 2232 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [2,0,0,0,0,0|2,0,0]=4 2233 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [2,0,0,0,0,0|2,0,0]=4 2234 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [2,0,0,0,0,0|0,0,2]=4 2235 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [2,0,0,0,0,0|0,0,2]=4 2236 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|0,0,0]=2 2237 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|0,0,0]=2 2238 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|1,0,0]=3 2239 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [2,0,0,0,0,0|2,0,0]=4 2240 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|1,0,0]=3 2241 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|1,0,0]=3 2242 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|1,0,0]=3 2243 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 2244 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 2245 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 2246 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|1,0,0]=3 2247 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|0,0,0]=2 2248 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [2,0,0,0,0,0|2,0,0]=4 2249 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [2,0,0,0,0,0|2,0,0]=4 2250 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [2,0,0,0,0,0|2,0,0]=4 2251 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [2,0,0,0,0,0|2,0,0]=4 2252 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [2,0,0,0,0,0|2,0,0]=4 2253 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [2,0,0,0,0,0|2,0,0]=4 2254 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [2,0,0,0,0,0|2,0,0]=4 2255 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [2,0,0,0,0,0|2,0,0]=4 2256 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [2,0,0,0,0,0|2,0,0]=4 2257 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [2,0,0,0,0,0|2,0,0]=4 2258 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|1,0,0]=3 2259 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|1,0,0]=3 2260 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [2,0,0,0,0,0|1,0,1]=4 2261 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [2,0,0,0,0,0|2,0,0]=4 2262 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|1,0,0]=3 2263 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|1,0,0]=3 2264 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|1,0,0]=3 2265 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [2,0,0,0,0,0|1,0,1]=4 2266 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|0,0,2]=4 2267 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|0,0,2]=4 2268 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|1,0,1]=4 2269 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [2,0,0,0,0,0|2,0,0]=4 2270 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|0,0,1]=3 2271 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|0,0,1]=3 2272 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|0,1,1]=4 2273 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|0,1,1]=4 2274 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [2,0,0,0,0,0|2,0,0]=4 2275 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [2,0,0,0,0,0|1,0,0]=3 2276 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [2,0,0,0,0,0|1,1,0]=4 2277 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [2,0,0,0,0,0|1,1,0]=4 2278 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [2,0,0,0,0,0|2,0,0]=4 2279 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [2,0,0,0,0,0|1,0,1]=4 2280 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2281 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 2282 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2283 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 2284 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2285 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2286 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 2287 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 2288 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 2289 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 2290 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|1,0,1]=4 2291 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|1,0,1]=4 2292 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,0]=3 2293 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,0]=3 2294 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,0]=3 2295 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,0]=3 2296 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|2,0,0]=4 2297 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|2,0,0]=4 2298 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|2,0,0]=4 2299 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|2,0,0]=4 2300 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 2301 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2302 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 2303 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|1,0,0]=3 2304 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|0,0,0]=2 2305 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|0,0,0]=2 2306 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|1,0,0]=3 2307 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,0]=3 2308 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [2,0,0,0,0,0|2,0,0]=4 2309 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [2,0,0,0,0,0|2,0,0]=4 2310 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [2,0,0,0,0,0|1,0,0]=3 2311 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|1,0,0]=3 2312 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|1,0,0]=3 2313 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,0]=3 2314 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|0,1,0]=3 2315 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|0,1,0]=3 2316 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|1,1,0]=4 2317 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|1,1,0]=4 2318 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|1,1,0]=4 2319 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|1,1,0]=4 2320 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|1,0,1]=4 2321 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|1,0,1]=4 2322 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|1,0,1]=4 2323 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|1,0,1]=4 2324 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|1,0,1]=4 2325 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|0,0,1]=3 2326 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|0,0,1]=3 2327 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|0,0,1]=3 2328 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|1,0,1]=4 2329 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [2,0,0,0,0,0|1,0,1]=4 2330 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [2,0,0,0,0,0|1,0,1]=4 2331 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [2,0,0,0,0,0|1,0,1]=4 2332 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [2,0,0,0,0,0|1,0,1]=4 2333 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [2,0,0,0,0,0|1,0,1]=4 2334 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [2,0,0,0,0,0|1,0,1]=4 2335 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|1,0,1]=4 2336 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [2,0,0,0,0,0|1,0,1]=4 2337 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [2,0,0,0,0,0|1,0,1]=4 2338 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [2,0,0,0,0,0|1,0,1]=4 2339 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [2,0,0,0,0,0|1,0,1]=4 2340 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|0,1,1]=4 2341 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|0,1,1]=4 2342 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [2,0,0,0,0,0|2,0,0]=4 2343 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|1,0,1]=4 2344 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [2,0,0,0,0,0|2,0,0]=4 2345 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 2346 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|2,0,0]=4 2347 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 2348 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|2,0,0]=4 2349 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|2,0,0]=4 2350 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|2,0,0]=4 2351 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|2,0,0]=4 2352 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|2,0,0]=4 2353 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|2,0,0]=4 2354 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|2,0,0]=4 2355 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2356 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2357 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2358 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2359 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,1]=3 2360 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2361 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2362 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2363 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|0,1,1]=4 2364 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|0,1,1]=4 2365 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|2,0,0]=4 2366 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|2,0,0]=4 2367 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2368 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 2369 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 2370 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 2371 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2372 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 2373 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2374 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2375 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 2376 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2377 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2378 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2379 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2380 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2381 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 2382 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 2383 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 2384 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2385 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2386 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2387 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2388 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 2389 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 2390 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 2391 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2392 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 2393 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 2394 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|1,0,1]=4 2395 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|1,0,1]=4 2396 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [1,1,0,0,0,0|1,0,0]=3 2397 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [1,1,0,0,0,0|2,0,0]=4 2398 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [1,1,0,0,0,0|2,0,0]=4 2399 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [1,1,0,0,0,0|1,0,0]=3 2400 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [1,1,0,0,0,0|1,0,1]=4 2401 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,1,0,0,0,0|1,0,1]=4 2402 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,1,0,0,0,0|1,0,1]=4 2403 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [1,1,0,0,0,0|0,0,0]=2 2404 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [1,1,0,0,0,0|1,0,0]=3 2405 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [1,1,0,0,0,0|1,0,0]=3 2406 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [1,1,0,0,0,0|1,0,0]=3 2407 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [1,1,0,0,0,0|1,0,0]=3 2408 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [1,1,0,0,0,0|1,0,0]=3 2409 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [1,1,0,0,0,0|1,0,0]=3 2410 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [1,1,0,0,0,0|1,0,0]=3 2411 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [1,1,0,0,0,0|0,0,0]=2 2412 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000228512_100000210202 [1,1,0,0,0,0|2,0,0]=4 2413 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000746363_200000210301 [1,1,0,0,0,0|2,0,0]=4 2414 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000228512_100000204670 [1,1,0,0,0,0|2,0,0]=4 2415 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000746363_200000210301 [1,1,0,0,0,0|2,0,0]=4 2416 B8R0.2 CCN([13CH3])C(C)C(C)C 2230a_100000746363_200025704644 [1,1,0,0,0,0|2,0,0]=4 2417 B8R0.2 CCN([13CH3])C(C)C(C)C 269982a_100000746363_200025704644 [1,1,0,0,0,0|2,0,0]=4 2418 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [1,1,0,0,0,0|1,0,1]=4 2419 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [1,1,0,0,0,0|1,0,0]=3 2420 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [1,1,0,0,0,0|1,0,0]=3 2421 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [1,1,0,0,0,0|1,0,0]=3 2422 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [1,1,0,0,0,0|1,0,0]=3 2423 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [1,1,0,0,0,0|2,0,0]=4 2424 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [1,1,0,0,0,0|2,0,0]=4 2425 B8R0.2 CNC(=O)C(F)N(C)C 2230a_100102631434_100009813575 [1,1,0,0,0,0|2,0,0]=4 2426 B8R0.2 CNC(=O)C(F)N(C)C 269982a_100102631434_100009813575 [1,1,0,0,0,0|2,0,0]=4 2427 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [1,1,0,0,0,0|2,0,0]=4 2428 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [1,1,0,0,0,0|2,0,0]=4 2429 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [1,1,0,0,0,0|2,0,0]=4 2430 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [1,1,0,0,0,0|2,0,0]=4 2431 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [1,1,0,0,0,0|1,0,0]=3 2432 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [1,1,0,0,0,0|1,0,1]=4 2433 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [1,1,0,0,0,0|1,0,1]=4 2434 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [1,1,0,0,0,0|1,0,1]=4 2436 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [1,1,0,0,0,0|1,0,1]=4 2437 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2438 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2439 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [1,1,0,0,0,0|1,0,0]=3 2440 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [1,1,0,0,0,0|1,0,0]=3 2441 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [1,1,0,0,0,0|1,0,0]=3 2442 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [1,1,0,0,0,0|1,0,0]=3 2443 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [1,1,0,0,0,0|1,0,0]=3 2444 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [1,1,0,0,0,0|1,0,0]=3 2445 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [1,1,0,0,0,0|2,0,0]=4 2446 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [1,1,0,0,0,0|1,0,1]=4 2447 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [1,1,0,0,0,0|1,0,1]=4 2448 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [1,1,0,0,0,0|1,0,1]=4 2449 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [1,1,0,0,0,0|1,0,1]=4 2450 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [1,1,0,0,0,0|1,0,1]=4 2451 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [1,1,0,0,0,0|1,0,1]=4 2452 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [1,1,0,0,0,0|1,0,1]=4 2453 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [1,1,0,0,0,0|1,0,1]=4 2454 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [1,1,0,0,0,0|1,0,1]=4 2455 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [1,1,0,0,0,0|1,0,1]=4 2456 B8R0.16 CCN(CC)CC(C)C 2230a_100000724800_100000210760 [1,1,0,0,0,0|2,0,0]=4 2457 B8R0.16 CCN(CC)CC(C)C 2230a_100000738554_100000210202 [1,1,0,0,0,0|2,0,0]=4 2458 B8R0.16 CCN(CC)CC(C)C 269956a_100000042499_100000210760 [1,1,0,0,0,0|2,0,0]=4 2459 B8R0.16 CCN(CC)CC(C)C 269982a_100000724800_100000210624 [1,1,0,0,0,0|2,0,0]=4 2460 B8R0.16 CCN(CC)CC(C)C 269982a_100000738554_100000204670 [1,1,0,0,0,0|2,0,0]=4 2461 B8R0.16 CCN(CC)CC(C)C 270004a_100000724800_100000210432 [1,1,0,0,0,0|2,0,0]=4 2462 B8R0.16 CCN(CF)CC(C)C 269982a_100000738554_100015361967 [1,1,0,0,0,0|2,0,0]=4 2463 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [1,1,0,0,0,0|1,0,1]=4 2464 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [1,1,0,0,0,0|1,0,1]=4 2465 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|0,0,2]=4 2466 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|0,0,2]=4 2467 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [1,1,0,0,0,0|0,0,2]=4 2468 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2469 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2470 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2471 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2472 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|0,0,2]=4 2473 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|0,0,2]=4 2474 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|0,0,2]=4 2475 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|0,0,1]=3 2476 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,1,0,0,0,0|1,0,1]=4 2478 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 2479 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 2480 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 2481 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|0,0,2]=4 2482 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,1]=4 2483 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|1,0,1]=4 2484 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 2485 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|1,0,1]=4 2486 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|1,0,1]=4 2487 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,0]=2 2488 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,0]=2 2489 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,0]=3 2490 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,0]=3 2491 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|1,0,0]=3 2492 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|1,0,0]=3 2493 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,0]=2 2494 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|0,0,0]=2 2495 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 2496 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 2497 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 2498 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2499 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2500 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2501 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2502 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2503 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2504 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2505 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2506 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|1,0,0]=3 2507 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|1,0,0]=3 2508 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,0]=3 2509 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,0]=3 2510 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 2511 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 2512 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 2513 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 2514 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [1,1,0,0,0,0|1,0,1]=4 2515 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [1,1,0,0,0,0|1,0,1]=4 2516 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 2518 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [1,1,0,0,0,0|2,0,0]=4 2519 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 2520 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [1,1,0,0,0,0|2,0,0]=4 2521 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 2522 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 2523 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 2524 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 2525 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 2526 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 2527 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 2528 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|2,0,0]=4 2530 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|2,0,0]=4 2531 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 2532 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 2533 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [1,1,0,0,0,0|2,0,0]=4 2534 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 2535 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 2536 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 2537 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 2538 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 2539 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|1,0,0]=3 2540 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 2541 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 2542 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [1,1,0,0,0,0|2,0,0]=4 2543 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [1,1,0,0,0,0|2,0,0]=4 2544 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,0]=3 2545 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 2546 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 2547 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [1,1,0,0,0,0|2,0,0]=4 2549 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [1,1,0,0,0,0|2,0,0]=4 2550 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [1,1,0,0,0,0|2,0,0]=4 2551 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [1,1,0,0,0,0|2,0,0]=4 2552 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [1,1,0,0,0,0|2,0,0]=4 2553 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [1,1,0,0,0,0|2,0,0]=4 2554 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [1,1,0,0,0,0|2,0,0]=4 2555 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [1,1,0,0,0,0|2,0,0]=4 2556 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|0,0,0]=2 2558 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|0,0,0]=2 2559 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|0,0,0]=2 2560 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|1,0,1]=4 2561 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|1,0,1]=4 2562 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|0,0,0]=2 2563 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|0,0,0]=2 2564 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|0,0,0]=2 2565 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|0,0,0]=2 2566 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|0,0,0]=2 2567 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,0]=3 2568 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [1,1,0,0,0,0|2,0,0]=4 2569 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [1,1,0,0,0,0|2,0,0]=4 2570 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [1,1,0,0,0,0|0,0,1]=3 2573 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [1,1,0,0,0,0|1,0,1]=4 2574 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [1,1,0,0,0,0|1,0,1]=4 2576 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [1,1,0,0,0,0|0,0,2]=4 2577 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [1,1,0,0,0,0|0,0,2]=4 2578 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [1,1,0,0,0,0|0,0,2]=4 2579 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [1,1,0,0,0,0|0,0,2]=4 2580 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [1,1,0,0,0,0|0,0,2]=4 2581 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [1,1,0,0,0,0|1,0,1]=4 2582 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [1,1,0,0,0,0|1,0,1]=4 2583 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [1,1,0,0,0,0|1,0,1]=4 2584 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [1,1,0,0,0,0|2,0,0]=4 2585 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [1,1,0,0,0,0|1,0,0]=3 2586 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [1,1,0,0,0,0|1,0,0]=3 2587 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [1,1,0,0,0,0|1,0,0]=3 2588 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|1,0,0]=3 2589 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [1,1,0,0,0,0|1,0,0]=3 2590 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [1,1,0,0,0,0|0,0,0]=2 2591 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [1,1,0,0,0,0|0,0,0]=2 2592 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [1,1,0,0,0,0|0,0,0]=2 2593 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [1,1,0,0,0,0|1,0,0]=3 2594 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 2595 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 2596 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 2597 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 2598 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|0,0,0]=2 2599 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|0,0,0]=2 2600 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [1,1,0,0,0,0|2,0,0]=4 2601 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [1,1,0,0,0,0|2,0,0]=4 2602 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [1,1,0,0,0,0|2,0,0]=4 2603 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [1,1,0,0,0,0|2,0,0]=4 2604 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [1,1,0,0,0,0|2,0,0]=4 2605 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [1,1,0,0,0,0|1,0,1]=4 2609 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2610 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2611 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2612 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2613 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2614 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2615 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2616 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2617 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2618 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2619 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2620 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [1,1,0,0,0,0|2,0,0]=4 2622 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [1,1,0,0,0,0|1,0,0]=3 2624 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [1,1,0,0,0,0|1,0,0]=3 2625 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [1,1,0,0,0,0|1,0,0]=3 2626 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [1,1,0,0,0,0|2,0,0]=4 2627 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|1,0,0]=3 2628 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|1,0,0]=3 2629 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,1,0,0,0,0|2,0,0]=4 2630 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|1,0,0]=3 2631 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|1,0,0]=3 2632 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 2633 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 2634 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 2635 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 2636 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [1,1,0,0,0,0|2,0,0]=4 2637 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [1,1,0,0,0,0|2,0,0]=4 2638 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [1,1,0,0,0,0|2,0,0]=4 2639 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [1,1,0,0,0,0|2,0,0]=4 2640 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [1,1,0,0,0,0|2,0,0]=4 2641 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [1,1,0,0,0,0|2,0,0]=4 2643 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [1,1,0,0,0,0|2,0,0]=4 2644 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [1,1,0,0,0,0|2,0,0]=4 2645 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [1,1,0,0,0,0|2,0,0]=4 2646 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [1,1,0,0,0,0|1,0,0]=3 2647 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [1,1,0,0,0,0|2,0,0]=4 2648 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [1,1,0,0,0,0|2,0,0]=4 2649 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [1,1,0,0,0,0|1,0,0]=3 2650 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [1,1,0,0,0,0|0,0,0]=2 2652 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [1,1,0,0,0,0|0,0,0]=2 2653 B8R0.24 CCC(=O)CC(F)(F)F 1458a_100000245130_100000210202 [1,1,0,0,0,0|2,0,0]=4 2654 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [1,1,0,0,0,0|2,0,0]=4 2655 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [1,1,0,0,0,0|1,0,0]=3 2656 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [1,1,0,0,0,0|0,1,0]=3 2657 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [1,1,0,0,0,0|0,1,0]=3 2658 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [1,1,0,0,0,0|1,0,0]=3 2659 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [1,1,0,0,0,0|1,0,0]=3 2660 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [1,1,0,0,0,0|1,0,0]=3 2661 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [1,1,0,0,0,0|1,0,0]=3 2662 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000732750_200000210301 [1,1,0,0,0,0|2,0,0]=4 2663 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000742839_100000210202 [1,1,0,0,0,0|2,0,0]=4 2664 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000732750_200000210301 [1,1,0,0,0,0|2,0,0]=4 2665 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000742839_100000204670 [1,1,0,0,0,0|2,0,0]=4 2666 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [1,1,0,0,0,0|2,0,0]=4 2667 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2668 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [1,1,0,0,0,0|2,0,0]=4 2669 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [1,1,0,0,0,0|2,0,0]=4 2670 B8R0.24 CCN([13CH3])CC(C)(C)C 2230a_100000732750_200025704644 [1,1,0,0,0,0|2,0,0]=4 2671 B8R0.24 CCN([13CH3])CC(C)(C)C 269982a_100000732750_200025704644 [1,1,0,0,0,0|2,0,0]=4 2672 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [1,1,0,0,0,0|2,0,0]=4 2673 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [1,1,0,0,0,0|2,0,0]=4 2674 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [1,1,0,0,0,0|1,0,0]=3 2675 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [1,1,0,0,0,0|1,0,0]=3 2676 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [1,1,0,0,0,0|1,0,0]=3 2677 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [1,1,0,0,0,0|1,0,0]=3 2678 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [1,1,0,0,0,0|1,0,0]=3 2679 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [1,1,0,0,0,0|2,0,0]=4 2680 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [1,1,0,0,0,0|2,0,0]=4 2681 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [1,1,0,0,0,0|2,0,0]=4 2682 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [1,1,0,0,0,0|2,0,0]=4 2683 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [1,1,0,0,0,0|1,1,0]=4 2684 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [1,1,0,0,0,0|1,1,0]=4 2685 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [1,1,0,0,0,0|2,0,0]=4 2686 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [1,1,0,0,0,0|2,0,0]=4 2687 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [1,1,0,0,0,0|2,0,0]=4 2688 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [1,1,0,0,0,0|2,0,0]=4 2689 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [1,1,0,0,0,0|1,0,1]=4 2690 B8R0.24 C[N+](C)(C)CC(=O)CF 1458a_100000033712_100015361967 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.24 C[Si](C)(C)CC(=O)CF 1458a_100011218504_100015361967 [1,1,0,0,0,0|1,1,0]=4 2692 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [1,1,0,0,0,0|1,1,0]=4 2693 B8R0.34 CCS(=O)(=O)NC(C)C 270084a_100138425928_100000211323 [1,1,0,0,0,0|2,0,0]=4 2694 B8R0.34 CCS(=O)(=O)NC(C)C 274078a_100138425928_100000211323 [1,1,0,0,0,0|2,0,0]=4 2695 B8R0.34 CNS(=O)(=O)CC(C)C 270084a_100102657272_100000748289 [1,1,0,0,0,0|2,0,0]=4 2696 B8R0.34 CNS(=O)(=O)CC(C)C 274078a_100102657272_100000748289 [1,1,0,0,0,0|2,0,0]=4 2697 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [1,1,0,0,0,0|2,0,0]=4 2698 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [1,1,0,0,0,0|2,0,0]=4 2699 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [1,1,0,0,0,0|1,0,1]=4 2700 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [1,1,0,0,0,0|1,0,1]=4 2701 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [1,1,0,0,0,0|1,0,1]=4 2702 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [1,1,0,0,0,0|1,0,1]=4 2703 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,1]=4 2707 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,1]=4 2708 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 2709 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,1]=4 2712 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 2713 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 2714 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 2715 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 2716 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 2717 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 2718 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 2719 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|2,0,0]=4 2721 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2723 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|2,0,0]=4 2724 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|2,0,0]=4 2725 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|2,0,0]=4 2726 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|2,0,0]=4 2727 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|2,0,0]=4 2728 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|2,0,0]=4 2729 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|2,0,0]=4 2730 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|2,0,0]=4 2731 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,1,0,0,0,0|2,0,0]=4 2732 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|2,0,0]=4 2733 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|2,0,0]=4 2734 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|2,0,0]=4 2736 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 2737 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 2738 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 2739 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|0,0,1]=3 2740 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|0,0,1]=3 2741 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|0,0,1]=3 2742 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [1,1,0,0,0,0|1,0,1]=4 2746 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,1,0,0,0,0|1,0,1]=4 2747 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [1,1,0,0,0,0|1,0,1]=4 2748 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [1,1,0,0,0,0|1,0,1]=4 2749 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [1,1,0,0,0,0|0,0,2]=4 2753 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [1,1,0,0,0,0|0,0,2]=4 2754 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [1,1,0,0,0,0|0,0,2]=4 2755 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,1,0,0,0,0|0,0,2]=4 2756 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,1,0,0,0,0|0,0,2]=4 2757 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,1,0,0,0,0|0,0,2]=4 2758 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 2761 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 2762 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 2763 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 2764 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 2765 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 2766 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,1,0,0,0,0|1,0,1]=4 2767 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,1,0,0,0,0|1,0,1]=4 2768 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|1,0,1]=4 2769 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|1,0,1]=4 2770 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|1,0,1]=4 2771 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [1,1,0,0,0,0|0,0,2]=4 2772 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,1,0,0,0,0|0,0,2]=4 2773 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,1,0,0,0,0|0,0,2]=4 2774 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|0,0,1]=3 2775 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|0,0,1]=3 2776 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|0,0,1]=3 2777 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|0,0,1]=3 2778 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|0,0,1]=3 2779 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|0,0,1]=3 2780 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,1,0,0,0,0|0,1,1]=4 2781 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,1,0,0,0,0|0,1,1]=4 2782 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|0,1,1]=4 2783 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|0,1,1]=4 2784 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 2785 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,1,0,0,0,0|2,0,0]=4 2786 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,1,0,0,0,0|2,0,0]=4 2787 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 2788 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,1,0,0,0,0|2,0,0]=4 2789 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|2,0,0]=4 2790 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|2,0,0]=4 2791 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|2,0,0]=4 2792 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|2,0,0]=4 2793 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|2,0,0]=4 2794 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|2,0,0]=4 2795 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|2,0,0]=4 2797 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2800 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2801 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|2,0,0]=4 2804 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|2,0,0]=4 2805 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 2806 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 2807 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [1,1,0,0,0,0|1,0,1]=4 2808 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [1,1,0,0,0,0|1,0,1]=4 2809 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [1,1,0,0,0,0|1,0,1]=4 2810 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [1,1,0,0,0,0|1,0,1]=4 2811 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [1,1,0,0,0,0|1,0,1]=4 2812 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [1,1,0,0,0,0|1,0,1]=4 2813 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [1,1,0,0,0,0|1,0,1]=4 2814 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 2815 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|1,0,1]=4 2816 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 2817 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 2818 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|1,0,0]=3 2819 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|1,0,0]=3 2820 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|1,0,0]=3 2821 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|1,0,0]=3 2822 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|1,0,0]=3 2823 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|1,0,0]=3 2824 B8R0.7 CCC#CCNC(C)C 2230a_100138425928_100009813939 [1,1,0,0,0,0|1,0,1]=4 2825 B8R0.7 CCC#CCNC(C)C 34a_100138425928_100009813939 [1,1,0,0,0,0|1,0,1]=4 2826 B8R0.7 CCC#CCOC(C)C 34a_100000032950_100000210206 [1,1,0,0,0,0|1,0,1]=4 2827 B8R0.7 CCC#CCOC(C)C 34a_100000212225_100009813939 [1,1,0,0,0,0|1,0,1]=4 2828 B8R0.7 CCC#CCSC(C)C 62a_100000210206_100009813939 [1,1,0,0,0,0|1,0,1]=4 2829 B8R0.7 CCC#CCSC(C)C 62a_100009813939_100000210206 [1,1,0,0,0,0|1,0,1]=4 2830 B8R0.7 CCCC=NNC(C)C 4a_100000741168_100000185831 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,1]=4 2832 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,1]=4 2833 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,1]=4 2834 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 2835 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,1]=4 2836 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 2837 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,1]=4 2838 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,1]=4 2839 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,1]=4 2840 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,1]=4 2841 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,1]=4 2842 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,1]=4 2843 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,1]=4 2844 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,1]=4 2845 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,1]=4 2846 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,1]=4 2847 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,0,1]=4 2848 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,0,1]=4 2849 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,1]=4 2850 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 2851 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 2852 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|0,0,1]=3 2853 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 2854 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 2855 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 2856 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 2857 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 2858 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|1,0,1]=4 2859 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|0,1,1]=4 2860 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|0,1,1]=4 2861 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,1,0,0,0,0|2,0,0]=4 2862 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,1,0,0,0,0|2,0,0]=4 2863 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,1]=4 2864 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 2865 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 2866 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,1,0,0,0,0|1,0,1]=4 2867 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,1,0,0,0,0|1,0,1]=4 2868 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,1,0,0,0,0|1,0,1]=4 2869 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,1,0,0,0,0|1,0,1]=4 2870 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,1,0,0,0,0|1,0,1]=4 2871 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,1,0,0,0,0|1,0,1]=4 2872 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [1,1,0,0,0,0|1,0,0]=3 2873 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|0,0,2]=4 2874 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|0,0,1]=3 2875 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|0,0,1]=3 2876 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|0,0,1]=3 2877 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 2878 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 2879 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 2880 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|0,0,1]=3 2881 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|0,0,1]=3 2882 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|0,0,1]=3 2883 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|0,0,1]=3 2884 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|0,0,1]=3 2885 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|0,0,1]=3 2886 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|0,0,1]=3 2887 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|0,0,1]=3 2888 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|0,0,1]=3 2889 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|0,0,1]=3 2890 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|0,0,1]=3 2891 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|0,0,1]=3 2892 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|0,0,1]=3 2893 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|0,0,1]=3 2894 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|0,0,1]=3 2895 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|0,0,1]=3 2896 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,1,0,0,0,0|0,0,1]=3 2897 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,1,0,0,0,0|0,0,1]=3 2898 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,1,0,0,0,0|1,0,1]=4 2899 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,1,0,0,0,0|1,0,1]=4 2900 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,1,0,0,0,0|1,0,1]=4 2901 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,1,0,0,0,0|1,0,1]=4 2902 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|0,1,1]=4 2903 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|0,1,1]=4 2904 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,1,0,0,0,0|0,1,1]=4 2905 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,1,0,0,0,0|0,1,1]=4 2906 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,1,0,0,0,0|0,1,1]=4 2907 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,1,0,0,0,0|0,1,1]=4 2908 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,1,0,0,0,0|0,1,1]=4 2909 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,1,0,0,0,0|0,1,1]=4 2910 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,1,0,0,0,0|0,1,1]=4 2911 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,1,0,0,0,0|0,1,1]=4 2912 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,1,0,0,0,0|0,1,1]=4 2913 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,1,0,0,0,0|0,1,1]=4 2914 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,1,0,0,0,0|0,1,1]=4 2915 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,1,0,0,0,0|0,1,1]=4 2916 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 2917 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 2918 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 2919 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 2920 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 2921 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 2922 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 2923 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 2924 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 2925 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 2926 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,1]=4 2927 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 2928 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|2,0,0]=4 2929 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 2930 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|2,0,0]=4 2931 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 2932 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|2,0,0]=4 2933 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|2,0,0]=4 2934 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|2,0,0]=4 2935 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2936 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2937 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 2938 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|2,0,0]=4 2939 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|2,0,0]=4 2940 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 2941 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|0,1,1]=4 2942 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|0,1,1]=4 2943 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 2944 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 2945 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|2,0,0]=4 2946 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|2,0,0]=4 2947 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|2,0,0]=4 2948 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|2,0,0]=4 2949 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|2,0,0]=4 2950 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|2,0,0]=4 2951 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|2,0,0]=4 2952 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|2,0,0]=4 2953 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|2,0,0]=4 2954 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,1,0,0,0,0|1,0,1]=4 2955 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|0,0,1]=3 2956 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,1,0,0,0,0|1,0,1]=4 2957 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,1,0,0,0,0|0,1,1]=4 2958 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,1,0,0,0,0|0,1,1]=4 2959 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|1,0,1]=4 2960 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 2961 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [1,1,0,0,0,0|1,0,1]=4 2962 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,1,0,0,0,0|1,0,1]=4 2963 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [1,1,0,0,0,0|2,0,0]=4 2964 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,1,0,0,0,0|2,0,0]=4 2965 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [1,1,0,0,0,0|1,0,1]=4 2966 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [1,1,0,0,0,0|1,0,1]=4 2967 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|0,0,2]=4 2968 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|0,0,2]=4 2969 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [1,1,0,0,0,0|1,0,1]=4 2970 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [1,1,0,0,0,0|0,0,1]=3 2971 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|1,0,1]=4 2972 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,1]=4 2973 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,1]=4 2974 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2975 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2976 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2977 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 2978 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [1,1,0,0,0,0|2,0,0]=4 2979 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [1,1,0,0,0,0|2,0,0]=4 2980 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [1,1,0,0,0,0|2,0,0]=4 2981 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [1,1,0,0,0,0|2,0,0]=4 2982 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,1,0,0,0,0|2,0,0]=4 2983 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,1,0,0,0,0|2,0,0]=4 2984 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [1,1,0,0,0,0|2,0,0]=4 2985 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [1,1,0,0,0,0|2,0,0]=4 2986 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,1,0,0,0,0|1,0,1]=4 2987 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,1,0,0,0,0|1,0,1]=4 2988 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,1,0,0,0,0|1,0,1]=4 2989 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,1,0,0,0,0|1,0,1]=4 2990 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,1,0,0,0,0|1,0,1]=4 2991 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,1,0,0,0,0|1,0,1]=4 2992 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,1,0,0,0,0|1,0,1]=4 2993 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,1,0,0,0,0|1,0,1]=4 2994 B8R0.21 CC(C)(C)CCOCF 7a_100000765024_100015361967 [1,1,0,0,0,0|1,0,1]=4 2995 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [1,1,0,0,0,0|2,0,0]=4 2996 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [1,1,0,0,0,0|2,0,0]=4 2997 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [1,1,0,0,0,0|2,0,0]=4 2998 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [1,1,0,0,0,0|2,0,0]=4 2999 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [1,1,0,0,0,0|2,0,0]=4 3000 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [1,1,0,0,0,0|2,0,0]=4 3001 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [1,1,0,0,0,0|2,0,0]=4 3002 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [1,1,0,0,0,0|2,0,0]=4 3003 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [1,1,0,0,0,0|2,0,0]=4 3004 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [1,1,0,0,0,0|2,0,0]=4 3005 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [1,1,0,0,0,0|2,0,0]=4 3006 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [1,1,0,0,0,0|2,0,0]=4 3007 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [1,1,0,0,0,0|2,0,0]=4 3008 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [1,1,0,0,0,0|2,0,0]=4 3009 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [1,1,0,0,0,0|1,0,1]=4 3010 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [1,1,0,0,0,0|1,0,1]=4 3011 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [1,1,0,0,0,0|1,0,1]=4 3012 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,1]=4 3013 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [1,1,0,0,0,0|0,0,1]=3 3014 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [1,1,0,0,0,0|0,0,1]=3 3015 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|0,0,1]=3 3016 B8R0.21 CCOCC[N+](C)(C)C 34a_100121572206_100000085578 [1,1,0,0,0,0|1,0,1]=4 3017 B8R0.21 CCOCC[N+](C)(C)C 7a_200020618287_100000210202 [1,1,0,0,0,0|1,0,1]=4 3018 B8R0.21 CCOCC[Si](C)(C)C 34a_100121572206_200000733723 [1,1,0,0,0,0|0,1,1]=4 3019 B8R0.21 CCOCC[Si](C)(C)C 7a_100000039746_100000210202 [1,1,0,0,0,0|0,1,1]=4 3020 B8R0.21 CCOCSC(C)(C)C 62a_100000211941_100000739092 [1,1,0,0,0,0|1,0,1]=4 3021 B8R0.21 CCOCSC(C)(C)C 62a_100000739092_100000211941 [1,1,0,0,0,0|1,0,1]=4 3022 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [1,1,0,0,0,0|0,1,1]=4 3023 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [1,1,0,0,0,0|0,1,1]=4 3024 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|0,1,1]=4 3025 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|0,1,1]=4 3026 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,1,0,0,0,0|1,0,1]=4 3027 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,1,0,0,0,0|1,0,1]=4 3028 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,1,0,0,0,0|1,0,1]=4 3029 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,1,0,0,0,0|0,0,1]=3 3030 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,1,0,0,0,0|0,0,1]=3 3031 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,1,0,0,0,0|0,0,1]=3 3032 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,1,0,0,0,0|0,1,1]=4 3033 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,1,0,0,0,0|0,1,1]=4 3034 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [1,1,0,0,0,0|2,0,0]=4 3035 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [1,1,0,0,0,0|2,0,0]=4 3036 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [1,1,0,0,0,0|2,0,0]=4 3037 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,1,0,0,0,0|2,0,0]=4 3038 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,1,0,0,0,0|2,0,0]=4 3039 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,1,0,0,0,0|2,0,0]=4 3040 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,1,0,0,0,0|2,0,0]=4 3041 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,1,0,0,0,0|2,0,0]=4 3042 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,1,0,0,0,0|2,0,0]=4 3043 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,1,0,0,0,0|2,0,0]=4 3044 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [1,1,0,0,0,0|2,0,0]=4 3045 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,1,0,0,0,0|2,0,0]=4 3046 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [1,1,0,0,0,0|2,0,0]=4 3047 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,1,0,0,0,0|2,0,0]=4 3048 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [1,1,0,0,0,0|2,0,0]=4 3049 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,1,0,0,0,0|2,0,0]=4 3050 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,1,0,0,0,0|2,0,0]=4 3051 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [1,1,0,0,0,0|2,0,0]=4 3052 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,1,0,0,0,0|2,0,0]=4 3053 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,1,0,0,0,0|2,0,0]=4 3054 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,1,0,0,0,0|2,0,0]=4 3055 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,1,0,0,0,0|2,0,0]=4 3056 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [1,1,0,0,0,0|1,0,1]=4 3057 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [1,1,0,0,0,0|1,0,1]=4 3058 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [1,1,0,0,0,0|1,0,1]=4 3059 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [1,1,0,0,0,0|1,0,1]=4 3060 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,1,0,0,0,0|1,0,1]=4 3061 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [1,1,0,0,0,0|1,0,1]=4 3062 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [1,1,0,0,0,0|1,0,1]=4 3063 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [1,1,0,0,0,0|1,0,1]=4 3064 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,1,0,0,0,0|1,0,1]=4 3065 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [1,1,0,0,0,0|0,0,2]=4 3066 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,1,0,0,0,0|1,0,1]=4 3067 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,1,0,0,0,0|1,0,1]=4 3068 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,1,0,0,0,0|1,0,1]=4 3069 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,1,0,0,0,0|1,0,1]=4 3070 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,1,0,0,0,0|1,0,1]=4 3071 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 3072 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 3073 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 3074 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 3075 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|1,0,1]=4 3076 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [1,1,0,0,0,0|2,0,0]=4 3077 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [1,1,0,0,0,0|2,0,0]=4 3078 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [1,1,0,0,0,0|2,0,0]=4 3079 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [1,1,0,0,0,0|2,0,0]=4 3080 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [1,1,0,0,0,0|2,0,0]=4 3081 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [1,1,0,0,0,0|2,0,0]=4 3082 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,1,0,0,0,0|0,0,2]=4 3083 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|1,0,1]=4 3084 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|1,0,1]=4 3085 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 3086 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 3087 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 3088 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 3089 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 3090 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 3091 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [1,1,0,0,0,0|1,0,1]=4 3092 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [1,1,0,0,0,0|1,0,1]=4 3093 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [1,1,0,0,0,0|1,0,1]=4 3094 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [1,1,0,0,0,0|1,0,1]=4 3095 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [1,1,0,0,0,0|1,0,1]=4 3097 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3098 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [1,1,0,0,0,0|1,0,1]=4 3099 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,1,0,0,0,0|0,0,2]=4 3100 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,1,0,0,0,0|0,0,2]=4 3101 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,1,0,0,0,0|0,0,2]=4 3102 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,1,0,0,0,0|0,0,2]=4 3103 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,1,0,0,0,0|1,0,1]=4 3104 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,1,0,0,0,0|1,0,1]=4 3105 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,1,0,0,0,0|1,0,1]=4 3106 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,1,0,0,0,0|1,0,1]=4 3107 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,1,0,0,0,0|1,0,1]=4 3108 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,1,0,0,0,0|1,0,1]=4 3109 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|1,0,1]=4 3110 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|1,0,1]=4 3111 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,1]=4 3112 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,0,1]=4 3113 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,1]=4 3114 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3115 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3116 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3117 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|1,0,1]=4 3118 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|1,0,1]=4 3119 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 3120 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 3121 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 3122 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [1,1,0,0,0,0|1,0,1]=4 3123 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,1,0,0,0,0|1,0,0]=3 3124 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [1,1,0,0,0,0|2,0,0]=4 3125 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [1,1,0,0,0,0|2,0,0]=4 3126 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|1,0,0]=3 3127 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,1,0,0,0,0|2,0,0]=4 3128 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,1,0,0,0,0|2,0,0]=4 3129 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,1,0,0,0,0|1,0,1]=4 3130 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,1,0,0,0,0|1,0,1]=4 3131 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [1,1,0,0,0,0|2,0,0]=4 3132 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [1,1,0,0,0,0|1,0,1]=4 3133 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|1,0,1]=4 3134 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,1,0,0,0,0|1,0,1]=4 3135 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,0]=3 3137 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,0]=3 3138 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,0]=3 3139 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,0]=3 3140 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,0]=3 3141 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,0]=3 3142 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,0]=3 3143 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|0,0,0]=2 3144 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|0,1,0]=3 3145 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|0,1,0]=3 3146 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|0,1,0]=3 3147 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,1,0,0,0,0|1,1,0]=4 3148 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,1,0,0,0,0|1,1,0]=4 3149 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [1,1,0,0,0,0|1,0,1]=4 3150 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [1,1,0,0,0,0|1,0,1]=4 3151 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 3152 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 3153 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 3154 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 3155 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|1,0,0]=3 3156 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|1,0,0]=3 3157 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,1,0,0,0,0|1,0,0]=3 3158 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,1,0,0,0,0|0,0,0]=2 3159 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,1,0,0,0,0|0,0,0]=2 3160 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|0,0,0]=2 3161 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,1,0,0,0,0|0,0,0]=2 3162 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,1,0,0,0,0|0,0,0]=2 3163 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 3164 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,1]=4 3165 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 3166 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,1,0,0,0,0|1,0,1]=4 3167 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,1,0,0,0,0|1,0,1]=4 3168 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,1,0,0,0,0|1,0,1]=4 3169 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,1,0,0,0,0|1,0,1]=4 3170 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 3171 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 3172 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,1,0,0,0,0|1,0,1]=4 3173 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|1,0,0]=3 3174 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|1,0,0]=3 3175 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|2,0,0]=4 3176 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|2,0,0]=4 3177 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|2,0,0]=4 3178 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|2,0,0]=4 3179 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|2,0,0]=4 3180 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,0]=3 3181 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,0]=3 3182 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,0]=3 3183 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,1,0,0,0,0|2,0,0]=4 3184 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3185 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 3186 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3187 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,1,0,0,0,0|2,0,0]=4 3188 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3189 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3190 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3191 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3192 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|2,0,0]=4 3193 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,1,0,0,0,0|2,0,0]=4 3194 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,1,0,0,0,0|2,0,0]=4 3195 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,1,0,0,0,0|2,0,0]=4 3196 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,1,0,0,0,0|2,0,0]=4 3197 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,1,0,0,0,0|2,0,0]=4 3198 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 3199 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 3200 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 3201 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|2,0,0]=4 3202 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 3203 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 3204 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 3205 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 3206 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 3207 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3208 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,1,0,0,0,0|2,0,0]=4 3209 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3210 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,1,0,0,0,0|2,0,0]=4 3211 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 3212 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 3213 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 3214 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 3215 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 3216 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 3217 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 3218 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,1,0,0,0,0|2,0,0]=4 3219 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 3220 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 3221 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|1,0,0]=3 3222 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 3223 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,0]=3 3224 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|1,0,0]=3 3225 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|1,0,0]=3 3226 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|1,0,0]=3 3227 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|1,0,0]=3 3228 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 3230 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 3231 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 3232 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 3233 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 3234 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 3235 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,1,0,0,0,0|1,0,0]=3 3236 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,1,0,0,0,0|1,0,0]=3 3237 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,1,0,0,0,0|1,0,0]=3 3238 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,1,0,0,0,0|1,0,0]=3 3239 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 3240 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 3241 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 3242 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 3243 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 3244 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 3245 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|1,0,0]=3 3246 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|1,0,0]=3 3247 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|1,0,0]=3 3248 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|1,0,0]=3 3249 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 3250 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 3251 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,1,0,0,0,0|1,0,0]=3 3252 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 3253 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 3254 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 3255 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 3256 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,1,0,0,0,0|1,0,0]=3 3257 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,1,0,0,0,0|1,0,0]=3 3258 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,1,0,0,0,0|2,0,0]=4 3259 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,1,0,0,0,0|2,0,0]=4 3260 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 3261 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,1,0,0,0,0|2,0,0]=4 3262 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 3263 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 3264 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 3265 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,1,0,0,0,0|2,0,0]=4 3266 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 3267 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 3268 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,1,0,0,0,0|1,0,0]=3 3269 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,1,0,0,0,0|1,0,0]=3 3270 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,1,0,0,0,0|2,0,0]=4 3271 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,1,0,0,0,0|0,0,0]=2 3272 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [1,1,0,0,0,0|2,0,0]=4 3273 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,1,0,0,0,0|2,0,0]=4 3274 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,1,0,0,0,0|2,0,0]=4 3275 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 3276 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,1,0,0,0,0|2,0,0]=4 3277 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 3278 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,1,0,0,0,0|0,0,0]=2 3279 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,1,0,0,0,0|0,0,0]=2 3280 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,1,0,0,0,0|0,0,0]=2 3281 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|0,0,0]=2 3282 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|0,0,0]=2 3283 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|0,0,0]=2 3284 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|0,0,0]=2 3285 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|0,0,0]=2 3286 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,1,0,0,0,0|0,0,0]=2 3287 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,1,0,0,0,0|0,0,0]=2 3288 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,1,0,0,0,0|1,0,0]=3 3289 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,1,0,0,0,0|1,0,0]=3 3290 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,1,0,0,0,0|1,0,0]=3 3291 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,1,0,0,0,0|1,0,0]=3 3292 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 3293 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 3294 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [1,1,0,0,0,0|1,0,1]=4 3295 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,1,0,0,0,0|1,0,0]=3 3296 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|1,0,0]=3 3297 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,1,0,0,0,0|2,0,0]=4 3298 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,1,0,0,0,0|2,0,0]=4 3299 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,1,0,0,0,0|0,0,0]=2 3300 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,1,0,0,0,0|1,0,1]=4 3301 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,1,0,0,0,0|1,0,1]=4 3302 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,1,0,0,0,0|1,1,0]=4 3303 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|1,1,0]=4 3304 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,1,0,0,0,0|2,0,0]=4 3305 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,1,0,0,0,0|2,0,0]=4 3306 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,1,0,0,0,0|2,0,0]=4 3307 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3308 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,1,0,0,0,0|2,0,0]=4 3309 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,1,0,0,0,0|2,0,0]=4 3310 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|2,0,0]=4 3311 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|2,0,0]=4 3312 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|2,0,0]=4 3313 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3314 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3315 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3316 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3317 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 3318 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 3319 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,1,0,0,0,0|2,0,0]=4 3320 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|2,0,0]=4 3321 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|2,0,0]=4 3322 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|2,0,0]=4 3323 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|2,0,0]=4 3324 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,1,0,0,0,0|2,0,0]=4 3325 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|2,0,0]=4 3326 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3327 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3328 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3329 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3330 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 3331 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 3332 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,1,0,0,0,0|2,0,0]=4 3333 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|2,0,0]=4 3334 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|2,0,0]=4 3335 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|2,0,0]=4 3336 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|2,0,0]=4 3337 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|2,0,0]=4 3338 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [1,1,0,0,0,0|2,0,0]=4 3339 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [1,1,0,0,0,0|2,0,0]=4 3340 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3341 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|1,0,1]=4 3342 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [1,1,0,0,0,0|1,0,1]=4 3343 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,1,0,0,0,0|1,0,1]=4 3344 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [1,1,0,0,0,0|2,0,0]=4 3345 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [1,1,0,0,0,0|2,0,0]=4 3346 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [1,1,0,0,0,0|2,0,0]=4 3347 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,1,0,0,0,0|2,0,0]=4 3348 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,1,0,0,0,0|2,0,0]=4 3349 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [1,1,0,0,0,0|2,0,0]=4 3350 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,1,0,0,0,0|2,0,0]=4 3351 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,1,0,0,0,0|2,0,0]=4 3352 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,1,0,0,0,0|2,0,0]=4 3353 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|2,0,0]=4 3354 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,1,0,0,0,0|1,0,0]=3 3355 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,1,0,0,0,0|1,0,0]=3 3356 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,1,0,0,0,0|2,0,0]=4 3357 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,1,0,0,0,0|2,0,0]=4 3358 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,1,0,0,0,0|1,0,0]=3 3359 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,1,0,0,0,0|2,0,0]=4 3360 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 3361 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 3362 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 3363 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,1,0,0,0,0|1,0,0]=3 3364 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [1,1,0,0,0,0|2,0,0]=4 3365 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,1,0,0,0,0|2,0,0]=4 3366 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,1,0,0,0,0|2,0,0]=4 3367 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,1,0,0,0,0|2,0,0]=4 3368 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 3369 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 3370 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,1,0,0,0,0|2,0,0]=4 3372 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 3373 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 3374 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 3375 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 3376 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 3377 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3378 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,1,0,0,0,0|2,0,0]=4 3379 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3380 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,1,0,0,0,0|2,0,0]=4 3381 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|1,0,1]=4 3382 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,1,0,0,0,0|1,0,0]=3 3383 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,1,0,0,0,0|1,0,0]=3 3384 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,1,0,0,0,0|1,0,0]=3 3385 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3386 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [1,1,0,0,0,0|2,0,0]=4 3387 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3388 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [1,1,0,0,0,0|2,0,0]=4 3389 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [1,1,0,0,0,0|2,0,0]=4 3390 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3391 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3392 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 3393 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 3394 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,1,0,0,0,0|2,0,0]=4 3395 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 3396 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 3397 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 3398 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 3399 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [1,1,0,0,0,0|2,0,0]=4 3400 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [1,1,0,0,0,0|2,0,0]=4 3401 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [1,1,0,0,0,0|2,0,0]=4 3402 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [1,1,0,0,0,0|2,0,0]=4 3403 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,1,0,0,0,0|1,0,0]=3 3404 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [1,1,0,0,0,0|2,0,0]=4 3405 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [1,1,0,0,0,0|2,0,0]=4 3406 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [1,1,0,0,0,0|2,0,0]=4 3407 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,1,0,0,0,0|1,0,1]=4 3408 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,1,0,0,0,0|1,0,1]=4 3409 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,1,0,0,0,0|1,0,1]=4 3410 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,1,0,0,0,0|1,0,0]=3 3411 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,1,0,0,0,0|1,0,0]=3 3412 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,1,0,0,0,0|1,0,0]=3 3413 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,1,0,0,0,0|1,0,0]=3 3414 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,1,0,0,0,0|1,0,0]=3 3415 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,1,0,0,0,0|1,0,0]=3 3416 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,1,0,0,0,0|1,0,0]=3 3417 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,1,0,0,0,0|1,0,0]=3 3418 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,1,0,0,0,0|1,0,0]=3 3419 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,1,0,0,0,0|1,0,0]=3 3420 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,1,0,0,0,0|1,0,0]=3 3421 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,1,0,0,0,0|1,0,0]=3 3422 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,1,0,0,0,0|1,0,0]=3 3423 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,1,0,0,0,0|1,0,0]=3 3424 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,1,0,0,0,0|1,0,0]=3 3425 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,1,0,0,0,0|1,0,0]=3 3426 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,1,0,0,0,0|1,0,0]=3 3427 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,1,0,0,0,0|1,0,0]=3 3428 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [1,1,0,0,0,0|1,0,1]=4 3429 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [1,1,0,0,0,0|1,1,0]=4 3430 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [1,1,0,0,0,0|1,1,0]=4 3431 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 3432 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 3433 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 3434 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 3435 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 3436 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 3437 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 3438 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 3439 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3440 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 3441 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 3442 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [1,1,0,0,0,0|2,0,0]=4 3443 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [0,1,0,0,1,0|2,0,0]=4 3444 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [0,1,0,0,1,0|2,0,0]=4 3445 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,1,0,0,1,0|1,0,1]=4 3446 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [0,1,0,0,1,0|2,0,0]=4 3447 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [0,1,0,0,1,0|2,0,0]=4 3448 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,1,0,0,1,0|2,0,0]=4 3449 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,1,0,0,1,0|2,0,0]=4 3450 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [0,1,0,0,1,0|2,0,0]=4 3451 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [0,1,0,0,1,0|2,0,0]=4 3452 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [0,1,0,0,1,0|2,0,0]=4 3453 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [0,1,0,0,1,0|2,0,0]=4 3454 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,1,0,0,1,0|2,0,0]=4 3455 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,1,0,0,1,0|2,0,0]=4 3456 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,1,0,0,1,0|1,0,0]=3 3457 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,1,0,0,1,0|1,0,0]=3 3458 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,1,0,0,1,0|1,0,0]=3 3459 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,1,0,0,1,0|1,0,0]=3 3460 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,1,0,0,1,0|1,0,0]=3 3461 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,1,0,0,1,0|1,0,0]=3 3462 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,1,0,0,1,0|1,0,0]=3 3463 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,1,0,0,1,0|1,0,0]=3 3464 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,1,0,0,1,0|1,0,0]=3 3465 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,1,0,0,1,0|1,0,0]=3 3466 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,1,0,0,1,0|2,0,0]=4 3467 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,1,0,0,1,0|2,0,0]=4 3468 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,1,0,0,1,0|2,0,0]=4 3469 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [0,1,0,0,1,0|2,0,0]=4 3470 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [0,1,0,0,1,0|2,0,0]=4 3471 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [0,1,0,0,1,0|2,0,0]=4 3472 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [0,1,0,0,1,0|2,0,0]=4 3473 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [0,1,0,0,1,0|2,0,0]=4 3474 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,1,0,0,1,0|2,0,0]=4 3475 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,1,0,0,1,0|2,0,0]=4 3476 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,1,0,0,1,0|2,0,0]=4 3477 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [0,1,0,0,1,0|2,0,0]=4 3478 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [0,1,0,0,1,0|2,0,0]=4 3479 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [0,1,0,0,1,0|1,0,1]=4 3480 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [0,1,0,0,1,0|1,0,1]=4 3481 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,1,0,0,1,0|1,0,1]=4 3482 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,1,0,0,1,0|1,0,1]=4 3483 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [0,1,0,0,1,0|1,0,1]=4 3484 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [0,1,0,0,1,0|1,0,1]=4 3485 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,1,0,0,1,0|1,0,1]=4 3486 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,1,0,0,1,0|1,0,1]=4 3487 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,1,0,0,1,0|1,0,1]=4 3488 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,1,0,0,0,1|0,0,2]=4 3489 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,1,0,0,0,1|2,0,0]=4 3490 B10R0.26 C=COC(=O)CC(=O)C(C)C 1458a_100000210198_100000036128 [0,1,0,0,0,1|0,0,2]=4 3491 B10R0.26 C=COC(=O)CN(C)C(C)C 269982a_200000211004_100000036128 [0,1,0,0,0,1|0,0,2]=4 3492 B10R0.26 CC#CC(=O)CC(=O)C(C)C 1458a_100000763181_100000753385 [0,1,0,0,0,1|1,0,1]=4 3493 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [0,1,0,0,0,1|2,0,0]=4 3494 B10R0.26 CC(C)C(=O)CC(=O)NCO 1458a_100000210198_100000185155 [0,1,0,0,0,1|2,0,0]=4 3495 B10R0.26 CC(C)C(C)NC(=O)CCO 240690a_100000211541_100011216618 [0,1,0,0,0,1|2,0,0]=4 3496 B10R0.26 CC(C)N(C)CC(=O)CCF 1458a_100000743827_100011217306 [0,1,0,0,0,1|2,0,0]=4 3497 B10R0.26 CC(C)N(C)CC(=O)CCO 1458a_100000743827_100000211926 [0,1,0,0,0,1|2,0,0]=4 3498 B10R0.26 CC(C)N(C)CC(=O)NCO 269982a_200000211004_100000185155 [0,1,0,0,0,1|2,0,0]=4 3499 B10R0.26 CC=CC(=O)CC(=O)C(C)C 1458a_100000210699_100000753385 [0,1,0,0,0,1|1,0,1]=4 3500 B10R0.26 CC=CC(=O)NC(C)C(C)C 11a_100000211541_100000210699 [0,1,0,0,0,1|1,0,1]=4 3501 B10R0.26 CC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000210699 [0,1,0,0,0,1|1,0,1]=4 3502 B10R0.26 CC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000210699 [0,1,0,0,0,1|1,0,1]=4 3503 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,1,0,0,0,1|1,0,0]=3 3504 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,1,0,0,0,1|1,0,0]=3 3505 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,1,0,0,0,1|2,0,0]=4 3506 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,1,0,0,0,1|2,0,0]=4 3507 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,1,0,0,0,1|2,0,0]=4 3508 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,1,0,0,0,1|2,0,0]=4 3509 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,1,0,0,0,1|2,0,0]=4 3510 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,1,0,0,0,1|1,0,0]=3 3511 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,1,0,0,0,1|1,0,0]=3 3512 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3513 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3514 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3515 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3516 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,1,0,0,0,1|2,0,0]=4 3517 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [0,1,0,0,0,1|1,0,0]=3 3518 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [0,1,0,0,0,1|2,0,0]=4 3519 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,1,0,0,0,1|2,0,0]=4 3520 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,1,0,0,0,1|2,0,0]=4 3521 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,1,0,0,0,1|2,0,0]=4 3522 B10R0.26 CCNC(=O)CN(C)C(C)C 11a_100015525214_100000743827 [0,1,0,0,0,1|1,0,0]=3 3523 B10R0.26 CCNC(=O)CN(C)C(C)C 2230a_100000741943_100000210206 [0,1,0,0,0,1|1,0,0]=3 3524 B10R0.26 CCNC(=O)CN(C)C(C)C 240690a_100015525214_100000743827 [0,1,0,0,0,1|1,0,0]=3 3525 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_100000741943_100000210206 [0,1,0,0,0,1|1,0,0]=3 3526 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183381 [0,1,0,0,0,1|1,0,0]=3 3527 B10R0.26 CCNC(=O)CN(C)C(C)C 527a_100015525214_100000743827 [0,1,0,0,0,1|1,0,0]=3 3528 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,1,0,0,0,1|1,0,0]=3 3529 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,1,0,0,0,1|1,0,0]=3 3530 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,1,0,0,0,1|1,0,0]=3 3531 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,1,0,0,0,1|1,0,0]=3 3532 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,1,0,0,0,1|1,0,0]=3 3533 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,1,0,0,0,1|1,0,0]=3 3534 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,0,1|0,0,0]=2 3535 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,0,1|0,0,0]=2 3536 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,1,0,0,0,1|1,0,0]=3 3537 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [0,1,0,0,0,1|2,0,0]=4 3538 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,1,0,0,0,1|1,0,0]=3 3539 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,1|1,0,0]=3 3540 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,1|1,0,0]=3 3541 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,1|1,0,1]=4 3542 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,0,1|1,0,0]=3 3543 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,0,1|1,0,0]=3 3544 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,1|1,0,1]=4 3545 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,1|1,0,1]=4 3546 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,1|1,0,1]=4 3547 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,1|1,0,1]=4 3548 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,0,1|0,0,0]=2 3549 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,0,1|0,0,0]=2 3550 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,0,1|0,0,0]=2 3551 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,0,1|0,0,0]=2 3552 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,0,1|0,0,0]=2 3553 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,0,1|0,0,0]=2 3554 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,0,1|1,0,0]=3 3555 B10R0.26 CNNC(=O)CN(C)C(C)C 22a_100016993582_100000743827 [0,1,0,0,0,1|2,0,0]=4 3556 B10R0.26 CNNC(=O)NC(C)C(C)C 273464a_100000211541_100016993582 [0,1,0,0,0,1|2,0,0]=4 3557 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100000211541_100016993582 [0,1,0,0,0,1|2,0,0]=4 3558 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100016993582_100000211541 [0,1,0,0,0,1|2,0,0]=4 3559 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [0,1,0,0,0,1|2,0,0]=4 3560 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3561 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3562 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3563 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3564 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [0,1,0,0,0,1|2,0,0]=4 3565 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3566 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3567 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3568 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3569 B10R0.27 CCOC(CC)CCC(C)C 34a_100011216567_100000210202 [0,1,0,0,0,1|1,0,1]=4 3570 B10R0.27 CCOC(CC)CCC(C)C 7a_100011216567_100000210202 [0,1,0,0,0,1|1,0,1]=4 3571 B10R0.27 CCOC(CC)CNC(C)C 2230a_100015183923_100000210206 [0,1,0,0,0,1|1,0,1]=4 3572 B10R0.27 CCOC(CC)CNC(C)C 34a_100015183923_100000210206 [0,1,0,0,0,1|1,0,1]=4 3573 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,1,0,0,0,1|1,0,0]=3 3574 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,1,0,0,0,1|1,0,1]=4 3575 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,1,0,0,0,1|2,0,0]=4 3576 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,1,0,0,0,1|2,0,0]=4 3577 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,1,0,0,0,1|2,0,0]=4 3578 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,1,0,0,0,1|2,0,0]=4 3579 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,1,0,0,0,1|2,0,0]=4 3580 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,1,0,0,0,1|1,0,1]=4 3581 B10R0.32 CC=CC(=O)N(C)CC(C)C 11a_100000747067_100000210699 [0,1,0,0,0,1|1,0,1]=4 3582 B10R0.32 CC=CC(=O)N(C)CC(C)C 1626a_100000747067_100000210699 [0,1,0,0,0,1|1,0,1]=4 3583 B10R0.32 CC=CC(=O)N(C)CC(C)C 240690a_100000747067_100000210699 [0,1,0,0,0,1|1,0,1]=4 3584 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,0,1|1,0,1]=4 3585 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,0,1|1,0,0]=3 3586 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,1,0,0,0,1|2,0,0]=4 3587 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,1,0,0,0,1|1,0,0]=3 3588 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,1,0,0,0,1|1,0,0]=3 3589 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,1,0,0,0,1|1,0,0]=3 3590 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,1,0,0,0,1|1,0,0]=3 3591 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,1,0,0,0,1|2,0,0]=4 3592 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,1,0,0,0,1|2,0,0]=4 3593 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,0,1|1,0,0]=3 3594 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,0,1|1,0,0]=3 3595 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,1,0,0,0,1|2,0,0]=4 3596 B10R0.32 CCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297158 [0,1,0,0,0,1|1,0,1]=4 3597 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100015525214_100011220036 [0,1,0,0,0,1|1,0,1]=4 3598 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297158 [0,1,0,0,0,1|1,0,1]=4 3599 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100015525214_100011220036 [0,1,0,0,0,1|1,0,1]=4 3600 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297158 [0,1,0,0,0,1|1,0,1]=4 3601 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,1,0,0,0,1|2,0,0]=4 3602 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100000736553_100000210206 [0,1,0,0,0,1|1,0,0]=3 3603 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230173 [0,1,0,0,0,1|1,0,0]=3 3604 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100000736553_100000210206 [0,1,0,0,0,1|1,0,0]=3 3605 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100138425928_100000230173 [0,1,0,0,0,1|1,0,0]=3 3606 B10R0.32 CCNC(=O)C(C)OC(C)C 34a_100000212225_100000230173 [0,1,0,0,0,1|1,0,0]=3 3607 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000210206_100000230173 [0,1,0,0,0,1|1,0,0]=3 3608 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000230173_100000210206 [0,1,0,0,0,1|1,0,0]=3 3609 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,1,0,0,0,1|1,0,0]=3 3610 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,1,0,0,0,1|1,0,0]=3 3611 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,1,0,0,0,1|2,0,0]=4 3612 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,0,1|1,0,0]=3 3613 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,0,1|1,0,0]=3 3614 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,1,0,0,0,1|0,0,1]=3 3615 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,1,0,0,0,1|0,0,1]=3 3616 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,1,0,0,0,1|0,0,1]=3 3617 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,0,1|0,0,0]=2 3618 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,0,1|0,0,0]=2 3619 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,0,1|0,0,0]=2 3620 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,0,1|0,0,0]=2 3621 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,0,1|0,0,0]=2 3622 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,0,1|0,0,0]=2 3623 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,0,1|0,0,0]=2 3624 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,0,1|0,0,0]=2 3625 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,0,1|0,0,0]=2 3626 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,0,1|0,0,0]=2 3627 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,0,0,0,1|1,0,1]=4 3628 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,0,1|0,0,0]=2 3629 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,1,0,0,0,1|1,0,1]=4 3630 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,1,0,0,0,1|0,1,0]=3 3631 B10R0.32 CNNC(=O)[C@@H](O)CC(C)C 22a_100016993582_100012027011 [0,1,0,0,0,1|2,0,0]=4 3632 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,1,0,0,0,1|2,0,0]=4 3633 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,1,0,0,0,1|2,0,0]=4 3634 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,1,0,0,0,1|2,0,0]=4 3635 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,1,0,0,0,1|2,0,0]=4 3636 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,1,0,0,0,1|2,0,0]=4 3637 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,1,0,0,0,1|2,0,0]=4 3638 B10R0.32 CSCC(=O)N(C)CC(C)C 11a_100000747067_100000184570 [0,1,0,0,0,1|2,0,0]=4 3639 B10R0.32 CSCC(=O)N(C)CC(C)C 1626a_100000747067_100000184570 [0,1,0,0,0,1|2,0,0]=4 3640 B10R0.32 CSCC(=O)N(C)CC(C)C 240690a_100000747067_100000184570 [0,1,0,0,0,1|2,0,0]=4 3641 B10R0.32 CSCC(=O)N(C)CC(C)C 527a_100000747067_100000184570 [0,1,0,0,0,1|2,0,0]=4 3642 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,1,0,0,0,1|1,0,1]=4 3643 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,1,0,0,0,1|1,0,1]=4 3644 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,1,0,0,0,1|1,0,1]=4 3645 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,1,0,0,0,1|2,0,0]=4 3646 B10R0.57 CC(C)CNC(=O)C(=O)CF 1458a_200011297155_100015361967 [0,1,0,0,0,1|2,0,0]=4 3647 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 2230a_100025753496_200025704644 [0,1,0,0,0,1|2,0,0]=4 3648 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 34a_100025753496_200025704644 [0,1,0,0,0,1|2,0,0]=4 3649 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_100000230289_200025704644 [0,1,0,0,0,1|2,0,0]=4 3650 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_200025704644_100000230289 [0,1,0,0,0,1|2,0,0]=4 3651 B10R0.57 CC(C)CNC(=O)C(O)CO 240690a_100000210953_100011215603 [0,1,0,0,0,1|2,0,0]=4 3652 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,1,0,0,0,1|1,0,0]=3 3653 B10R0.57 CCC(C)C(=O)C=CC(C)C 1458a_100016268746_100000758301 [0,1,0,0,0,1|1,0,1]=4 3654 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,1,0,0,0,1|1,0,1]=4 3655 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,1,0,0,0,1|1,0,1]=4 3656 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,1,0,0,0,1|1,0,0]=3 3657 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,1,0,0,0,1|1,0,0]=3 3658 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,1,0,0,0,1|2,0,0]=4 3659 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [0,1,0,0,0,1|2,0,0]=4 3660 B10R0.57 CCC(C)C(=O)COC(C)C 1458a_100000745533_100000758301 [0,1,0,0,0,1|1,0,0]=3 3661 B10R0.57 CCC(C)C(=O)CSC(C)C 1458a_100000241585_100000758301 [0,1,0,0,0,1|1,0,0]=3 3662 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [0,1,0,0,0,1|1,0,0]=3 3663 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [0,1,0,0,0,1|1,0,0]=3 3664 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [0,1,0,0,0,1|1,0,0]=3 3665 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [0,1,0,0,0,1|1,0,0]=3 3666 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,1,0,0,0,1|2,0,0]=4 3667 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,1,0,0,0,1|2,0,0]=4 3668 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,1,0,0,0,1|2,0,0]=4 3669 B10R0.57 CCC(C)C(=O)NNC(C)C 22a_100000741168_100011192722 [0,1,0,0,0,1|2,0,0]=4 3670 B10R0.57 CCC(O)C(=O)CC=C(C)C 1458a_100011196387_100000761012 [0,1,0,0,0,1|1,0,1]=4 3671 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,1,0,0,0,1|1,0,0]=3 3672 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,1,0,0,0,1|2,0,0]=4 3673 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,1,0,0,0,1|1,0,0]=3 3674 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,1,0,0,0,1|2,0,0]=4 3675 B10R0.57 CCC(O)C(=O)NNC(C)C 22a_100000741168_100011196387 [0,1,0,0,0,1|2,0,0]=4 3676 B10R0.57 CCN(C)C(=O)C=CC(C)C 11a_100000225621_100016268746 [0,1,0,0,0,1|1,0,1]=4 3677 B10R0.57 CCN(C)C(=O)C=CC(C)C 1626a_100000225621_100016268746 [0,1,0,0,0,1|1,0,1]=4 3678 B10R0.57 CCN(C)C(=O)C=CC(C)C 240690a_100000225621_100016268746 [0,1,0,0,0,1|1,0,1]=4 3679 B10R0.57 CCN(C)C(=O)CC=C(C)C 11a_100000225621_100011220947 [0,1,0,0,0,1|1,0,1]=4 3680 B10R0.57 CCN(C)C(=O)CC=C(C)C 1626a_100000225621_100011220947 [0,1,0,0,0,1|1,0,1]=4 3681 B10R0.57 CCN(C)C(=O)CC=C(C)C 240690a_100000225621_100011220947 [0,1,0,0,0,1|1,0,1]=4 3682 B10R0.57 CCN(C)C(=O)CC=C(C)C 527a_100000225621_100011220947 [0,1,0,0,0,1|1,0,1]=4 3683 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,1,0,0,0,1|1,0,0]=3 3684 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,1,0,0,0,1|1,0,0]=3 3685 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,1,0,0,0,1|1,0,0]=3 3686 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,1,0,0,0,1|1,0,0]=3 3687 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,1,0,0,0,1|2,0,0]=4 3688 B10R0.57 CCN(C)C(=O)CCN(C)C 11a_100000225621_100000689311 [0,1,0,0,0,1|2,0,0]=4 3689 B10R0.57 CCN(C)C(=O)CCN(C)C 240690a_100000225621_100000689311 [0,1,0,0,0,1|2,0,0]=4 3690 B10R0.57 CCN(C)C(=O)CCN(C)C 527a_100000225621_100000689311 [0,1,0,0,0,1|2,0,0]=4 3691 B10R0.57 CCN(C)C(=O)CC[S+](C)C 11a_100000225621_100009452791 [0,1,0,0,0,1|2,0,0]=4 3692 B10R0.57 CCN(C)C(=O)CC[S+](C)C 1626a_100000225621_100009452791 [0,1,0,0,0,1|2,0,0]=4 3693 B10R0.57 CCN(C)C(=O)CC[S+](C)C 240690a_100000225621_100009452791 [0,1,0,0,0,1|2,0,0]=4 3694 B10R0.57 CCN(C)C(=O)CNC(C)C 2230a_100138425928_100000738999 [0,1,0,0,0,1|1,0,0]=3 3695 B10R0.57 CCN(C)C(=O)CNC(C)C 34a_100138425928_100000738999 [0,1,0,0,0,1|1,0,0]=3 3696 B10R0.57 CCN(C)C(=O)COC(C)C 11a_100000225621_100000745533 [0,1,0,0,0,1|1,0,0]=3 3697 B10R0.57 CCN(C)C(=O)COC(C)C 1626a_100000225621_100000745533 [0,1,0,0,0,1|1,0,0]=3 3698 B10R0.57 CCN(C)C(=O)COC(C)C 240690a_100000225621_100000745533 [0,1,0,0,0,1|1,0,0]=3 3699 B10R0.57 CCN(C)C(=O)COC(C)C 34a_100000212225_100000738999 [0,1,0,0,0,1|1,0,0]=3 3700 B10R0.57 CCN(C)C(=O)COC(C)C 527a_100000225621_100000745533 [0,1,0,0,0,1|1,0,0]=3 3701 B10R0.57 CCN(C)C(=O)CSC(C)C 11a_100000225621_100000241585 [0,1,0,0,0,1|1,0,0]=3 3702 B10R0.57 CCN(C)C(=O)CSC(C)C 1626a_100000225621_100000241585 [0,1,0,0,0,1|1,0,0]=3 3703 B10R0.57 CCN(C)C(=O)CSC(C)C 240690a_100000225621_100000241585 [0,1,0,0,0,1|1,0,0]=3 3704 B10R0.57 CCN(C)C(=O)CSC(C)C 527a_100000225621_100000241585 [0,1,0,0,0,1|1,0,0]=3 3705 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000210206_100000738999 [0,1,0,0,0,1|1,0,0]=3 3706 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000738999_100000210206 [0,1,0,0,0,1|1,0,0]=3 3707 B10R0.57 CCN(C)C(=O)NCC(C)C 2708a_100000210953_100000225621 [0,1,0,0,0,1|1,0,0]=3 3708 B10R0.57 CCN(C)C(=O)NCC(C)C 273464a_100000210953_100000225621 [0,1,0,0,0,1|1,0,0]=3 3709 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,1,0,0,0,1|2,0,0]=4 3710 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,1,0,0,0,1|2,0,0]=4 3711 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,1,0,0,0,1|2,0,0]=4 3712 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,1,0,0,0,1|2,0,0]=4 3713 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,1,0,0,0,1|2,0,0]=4 3714 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,1,0,0,0,1|2,0,0]=4 3715 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,1,0,0,0,1|2,0,0]=4 3716 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,1,0,0,0,1|2,0,0]=4 3717 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_100025753496_200000210301 [0,1,0,0,0,1|2,0,0]=4 3718 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_106832991635_100000230289 [0,1,0,0,0,1|2,0,0]=4 3719 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100025753496_200000210301 [0,1,0,0,0,1|2,0,0]=4 3720 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100102657272_100000230289 [0,1,0,0,0,1|2,0,0]=4 3721 B10R0.57 CNC(C)C(=O)NCC(C)C 7a_106832991635_100000230289 [0,1,0,0,0,1|2,0,0]=4 3722 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,1,0,0,0,1|2,0,0]=4 3723 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,1,0,0,0,1|2,0,0]=4 3724 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,1,0,0,0,1|2,0,0]=4 3725 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,1,0,0,0,1|2,0,0]=4 3726 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,1,0,0,0,1|2,0,0]=4 3727 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,1,0,0,0,1|2,0,0]=4 3728 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,1,0,0,0,1|2,0,0]=4 3729 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,1,0,0,0,1|2,0,0]=4 3730 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,1,0,0,0,1|2,0,0]=4 3731 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [0,1,0,0,0,1|2,0,0]=4 3732 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [0,1,0,0,0,1|2,0,0]=4 3733 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [0,1,0,0,0,1|2,0,0]=4 3734 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [0,1,0,0,0,1|2,0,0]=4 3735 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [0,1,0,0,0,1|2,0,0]=4 3736 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100015207273_100000210206 [0,1,0,0,0,1|2,0,0]=4 3737 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100138425928_100000764215 [0,1,0,0,0,1|2,0,0]=4 3738 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000210206_100000764215 [0,1,0,0,0,1|2,0,0]=4 3739 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000764215_100000210206 [0,1,0,0,0,1|2,0,0]=4 3740 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,1,0,0,0,1|2,0,0]=4 3741 B10R0.57 CSC(C)C(=O)NCC(C)C 11a_100000210953_100000149566 [0,1,0,0,0,1|2,0,0]=4 3742 B10R0.57 CSC(C)C(=O)NCC(C)C 1626a_100000210953_100000149566 [0,1,0,0,0,1|2,0,0]=4 3743 B10R0.57 CSC(C)C(=O)NCC(C)C 240690a_100000210953_100000149566 [0,1,0,0,0,1|2,0,0]=4 3744 B10R0.57 CSC(C)C(=O)NCC(C)C 527a_100000210953_100000149566 [0,1,0,0,0,1|2,0,0]=4 3745 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_100000230289_200000210301 [0,1,0,0,0,1|2,0,0]=4 3746 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_200000210301_100000230289 [0,1,0,0,0,1|2,0,0]=4 3747 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000181311_100000753159 [0,1,0,0,0,1|1,0,1]=4 3748 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000692101_100000210312 [0,1,0,0,0,1|1,0,1]=4 3749 B10R0.78 C#CCCC(=O)COC(C)C 1458a_100000745533_100000753159 [0,1,0,0,0,1|1,0,1]=4 3750 B10R0.78 C#CCCC(=O)CSC(C)C 1458a_100000241585_100000753159 [0,1,0,0,0,1|1,0,1]=4 3751 B10R0.78 C#CCCC(=O)NCC(C)C 11a_100000210953_100000692101 [0,1,0,0,0,1|1,0,1]=4 3752 B10R0.78 C#CCCC(=O)NCC(C)C 1626a_100000210953_100000692101 [0,1,0,0,0,1|1,0,1]=4 3753 B10R0.78 C#CCCC(=O)NCC(C)C 240690a_100000210953_100000692101 [0,1,0,0,0,1|1,0,1]=4 3754 B10R0.78 C#CCCC(=O)NCC(C)C 527a_100000210953_100000692101 [0,1,0,0,0,1|1,0,1]=4 3755 B10R0.78 C#CCNC(=O)CCC(C)C 11a_100000212058_100000181311 [0,1,0,0,0,1|1,0,1]=4 3756 B10R0.78 C#CCNC(=O)CCC(C)C 1626a_100000212058_100000181311 [0,1,0,0,0,1|1,0,1]=4 3757 B10R0.78 C#CCNC(=O)CCC(C)C 240690a_100000212058_100000181311 [0,1,0,0,0,1|1,0,1]=4 3758 B10R0.78 C#CCNC(=O)CCC(C)C 527a_100000212058_100000181311 [0,1,0,0,0,1|1,0,1]=4 3759 B10R0.78 C#CCNC(=O)CNC(C)C 2230a_100000747989_100000210206 [0,1,0,0,0,1|1,0,1]=4 3760 B10R0.78 C#CCNC(=O)CNC(C)C 34a_100000747989_100000210206 [0,1,0,0,0,1|1,0,1]=4 3761 B10R0.78 C#CCNC(=O)COC(C)C 11a_100000212058_100000745533 [0,1,0,0,0,1|1,0,1]=4 3762 B10R0.78 C#CCNC(=O)COC(C)C 1626a_100000212058_100000745533 [0,1,0,0,0,1|1,0,1]=4 3763 B10R0.78 C#CCNC(=O)COC(C)C 240690a_100000212058_100000745533 [0,1,0,0,0,1|1,0,1]=4 3764 B10R0.78 C#CCNC(=O)COC(C)C 527a_100000212058_100000745533 [0,1,0,0,0,1|1,0,1]=4 3765 B10R0.78 C#CCNC(=O)CSC(C)C 11a_100000212058_100000241585 [0,1,0,0,0,1|1,0,1]=4 3766 B10R0.78 C#CCNC(=O)CSC(C)C 1626a_100000212058_100000241585 [0,1,0,0,0,1|1,0,1]=4 3767 B10R0.78 C#CCNC(=O)CSC(C)C 240690a_100000212058_100000241585 [0,1,0,0,0,1|1,0,1]=4 3768 B10R0.78 C#CCNC(=O)CSC(C)C 527a_100000212058_100000241585 [0,1,0,0,0,1|1,0,1]=4 3769 B10R0.78 C#CCNC(=O)NCC(C)C 2708a_100000210953_100000212058 [0,1,0,0,0,1|1,0,1]=4 3770 B10R0.78 C#CCNC(=O)NCC(C)C 2708a_100000212058_100000210953 [0,1,0,0,0,1|1,0,1]=4 3771 B10R0.78 C#CCNC(=O)NCC(C)C 273464a_100000210953_100000212058 [0,1,0,0,0,1|1,0,1]=4 3772 B10R0.78 C#CCNC(=O)NCC(C)C 273464a_100000212058_100000210953 [0,1,0,0,0,1|1,0,1]=4 3773 B10R0.78 C#CCNC(=O)NCC(C)C 512a_100000210953_100000212058 [0,1,0,0,0,1|1,0,1]=4 3774 B10R0.78 C#CCNC(=O)NCC(C)C 512a_100000212058_100000210953 [0,1,0,0,0,1|1,0,1]=4 3775 B10R0.78 C/C=C/CC(=O)CCC(C)C 1458a_100000181311_100102629194 [0,1,0,0,0,1|1,0,1]=4 3776 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,1,0,0,0,1|1,0,1]=4 3777 B10R0.78 C/C=C/CC(=O)CSC(C)C 1458a_100000241585_100102629194 [0,1,0,0,0,1|1,0,1]=4 3778 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,1,0,0,0,1|0,0,2]=4 3779 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,1,0,0,0,1|0,0,2]=4 3780 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,1,0,0,0,1|0,0,2]=4 3781 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,1,0,0,0,1|0,0,2]=4 3782 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,1,0,0,0,1|0,0,2]=4 3783 B10R0.78 C=C(CNC(C)C)OCOC 34a_100138425928_100000042856 [0,1,0,0,0,1|1,0,0]=3 3784 B10R0.78 C=C(COC(C)C)OCOC 34a_100000212225_100000042856 [0,1,0,0,0,1|1,0,0]=3 3785 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000042856_100000210206 [0,1,0,0,0,1|1,0,0]=3 3786 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000210206_100000042856 [0,1,0,0,0,1|1,0,0]=3 3787 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,1,0,0,0,1|1,0,1]=4 3788 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,1,0,0,0,1|1,0,1]=4 3789 B10R0.78 C=CCCC(=O)COC(C)C 1458a_100000745533_100000754431 [0,1,0,0,0,1|1,0,1]=4 3790 B10R0.78 C=CCCC(=O)CSC(C)C 1458a_100000241585_100000754431 [0,1,0,0,0,1|1,0,1]=4 3791 B10R0.78 C=CCCC(=O)NCC(C)C 11a_100000210953_100000749702 [0,1,0,0,0,1|1,0,1]=4 3792 B10R0.78 C=CCCC(=O)NCC(C)C 1626a_100000210953_100000749702 [0,1,0,0,0,1|1,0,1]=4 3793 B10R0.78 C=CCCC(=O)NCC(C)C 240690a_100000210953_100000749702 [0,1,0,0,0,1|1,0,1]=4 3794 B10R0.78 C=CCCC(=O)NCC(C)C 527a_100000210953_100000749702 [0,1,0,0,0,1|1,0,1]=4 3795 B10R0.78 C=CCNC(=O)CCC(C)C 1626a_100020586998_100000181311 [0,1,0,0,0,1|1,0,1]=4 3796 B10R0.78 C=CCNC(=O)CCC(C)C 240690a_100020586998_100000181311 [0,1,0,0,0,1|1,0,1]=4 3797 B10R0.78 C=CCNC(=O)CCC(C)C 527a_100020586998_100000181311 [0,1,0,0,0,1|1,0,1]=4 3798 B10R0.78 C=CCNC(=O)CNC(C)C 2230a_100138425928_100000183597 [0,1,0,0,0,1|1,0,1]=4 3799 B10R0.78 C=CCNC(=O)COC(C)C 1626a_100020586998_100000745533 [0,1,0,0,0,1|1,0,1]=4 3800 B10R0.78 C=CCNC(=O)COC(C)C 240690a_100020586998_100000745533 [0,1,0,0,0,1|1,0,1]=4 3801 B10R0.78 C=CCNC(=O)COC(C)C 527a_100020586998_100000745533 [0,1,0,0,0,1|1,0,1]=4 3802 B10R0.78 C=CCNC(=O)CSC(C)C 1626a_100020586998_100000241585 [0,1,0,0,0,1|1,0,1]=4 3803 B10R0.78 C=CCNC(=O)CSC(C)C 240690a_100020586998_100000241585 [0,1,0,0,0,1|1,0,1]=4 3804 B10R0.78 C=CCNC(=O)CSC(C)C 527a_100020586998_100000241585 [0,1,0,0,0,1|1,0,1]=4 3805 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000183597_100000210206 [0,1,0,0,0,1|1,0,1]=4 3806 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000210206_100000183597 [0,1,0,0,0,1|1,0,1]=4 3807 B10R0.78 C=CCNC(=O)NCC(C)C 2708a_100000210953_100020586998 [0,1,0,0,0,1|1,0,1]=4 3808 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100000210953_100020586998 [0,1,0,0,0,1|1,0,1]=4 3809 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100020586998_100000210953 [0,1,0,0,0,1|1,0,1]=4 3810 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100000210953_100020586998 [0,1,0,0,0,1|1,0,1]=4 3811 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100020586998_100000210953 [0,1,0,0,0,1|1,0,1]=4 3812 B10R0.78 C=CCOC(=O)CNC(C)C 2230a_100138425928_100000033060 [0,1,0,0,0,1|0,0,1]=3 3813 B10R0.78 C=CCOC(=O)CNC(C)C 34a_100138425928_100000033060 [0,1,0,0,0,1|0,0,1]=3 3814 B10R0.78 C=CCOC(=O)COC(C)C 34a_100000212225_100000033060 [0,1,0,0,0,1|0,0,1]=3 3815 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000033060_100000210206 [0,1,0,0,0,1|0,0,1]=3 3816 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000210206_100000033060 [0,1,0,0,0,1|0,0,1]=3 3817 B10R0.78 CC#CCC(=O)CCC(C)C 1458a_100000181311_100000748600 [0,1,0,0,0,1|1,0,1]=4 3818 B10R0.78 CC#CCC(=O)COC(C)C 1458a_100000745533_100000748600 [0,1,0,0,0,1|1,0,1]=4 3819 B10R0.78 CC#CCC(=O)CSC(C)C 1458a_100000241585_100000748600 [0,1,0,0,0,1|1,0,1]=4 3820 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,1,0,0,0,1|1,0,1]=4 3821 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,1,0,0,0,1|1,0,1]=4 3822 B10R0.78 CC(=CCC(=O)NCCF)C 11a_100000724931_100011220947 [0,1,0,0,0,1|1,0,1]=4 3823 B10R0.78 CC(=CCC(=O)NCCF)C 1626a_100000724931_100011220947 [0,1,0,0,0,1|1,0,1]=4 3824 B10R0.78 CC(=CCC(=O)NCCF)C 240690a_100000724931_100011220947 [0,1,0,0,0,1|1,0,1]=4 3825 B10R0.78 CC(=CCC(=O)NCCF)C 527a_100000724931_100011220947 [0,1,0,0,0,1|1,0,1]=4 3826 B10R0.78 CC(=CCC(=O)NCCO)C 240690a_100000210304_100011220947 [0,1,0,0,0,1|1,0,1]=4 3827 B10R0.78 CC(=CCC(=O)NCCO)C 527a_100000210304_100011220947 [0,1,0,0,0,1|1,0,1]=4 3828 B10R0.78 CC(C)C=CC(=O)CCCF 1458a_100016268746_100011934791 [0,1,0,0,0,1|1,0,1]=4 3829 B10R0.78 CC(C)C=CC(=O)CCCO 1458a_100016268746_100011215043 [0,1,0,0,0,1|1,0,1]=4 3830 B10R0.78 CC(C)C=CC(=O)NCCF 11a_100000724931_100016268746 [0,1,0,0,0,1|1,0,1]=4 3831 B10R0.78 CC(C)C=CC(=O)NCCF 1626a_100000724931_100016268746 [0,1,0,0,0,1|1,0,1]=4 3832 B10R0.78 CC(C)C=CC(=O)NCCF 240690a_100000724931_100016268746 [0,1,0,0,0,1|1,0,1]=4 3833 B10R0.78 CC(C)C=CC(=O)NCCO 240690a_100000210304_100016268746 [0,1,0,0,0,1|1,0,1]=4 3834 B10R0.78 CC(C)CCC(=O)C#CCO 1458a_100000049017_100000210312 [0,1,0,0,0,1|1,0,1]=4 3835 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100000181311_100011215226 [0,1,0,0,0,1|1,0,1]=4 3836 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100011934036_100000210312 [0,1,0,0,0,1|1,0,1]=4 3837 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,1,0,0,0,1|1,0,0]=3 3838 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,1,0,0,0,1|1,0,0]=3 3839 B10R0.78 CC(C)CCC(=O)NCC#N 1626a_100000734998_100000181311 [0,1,0,0,0,1|1,0,1]=4 3840 B10R0.78 CC(C)CCC(=O)NCC#N 527a_100000734998_100000181311 [0,1,0,0,0,1|1,0,1]=4 3841 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,1,0,0,0,1|1,0,0]=3 3842 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,1,0,0,0,1|1,0,0]=3 3843 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,1,0,0,0,1|1,0,0]=3 3844 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,1,0,0,0,1|1,0,0]=3 3845 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,1,0,0,0,1|1,0,0]=3 3846 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,1,0,0,0,1|1,0,0]=3 3847 B10R0.78 CC(C)CCC(C)OCCBr 34a_100000211926_100011261404 [0,1,0,0,0,1|1,0,1]=4 3848 B10R0.78 CC(C)CCC(C)OCCF 34a_100011215350_100011217306 [0,1,0,0,0,1|1,0,1]=4 3849 B10R0.78 CC(C)CCC(C)OCCF 7a_100011215350_100011217306 [0,1,0,0,0,1|1,0,1]=4 3850 B10R0.78 CC(C)CCC(C)OCCN 34a_100000210304_100011261404 [0,1,0,0,0,1|1,0,1]=4 3851 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [0,1,0,0,0,1|1,0,1]=4 3852 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [0,1,0,0,0,1|1,0,1]=4 3853 B10R0.78 CC(C)CNC(=O)CCC#N 11a_100000210953_100011934036 [0,1,0,0,0,1|1,0,1]=4 3854 B10R0.78 CC(C)CNC(=O)CCC#N 1626a_100000210953_100011934036 [0,1,0,0,0,1|1,0,1]=4 3855 B10R0.78 CC(C)CNC(=O)CCC#N 240690a_100000210953_100011934036 [0,1,0,0,0,1|1,0,1]=4 3856 B10R0.78 CC(C)CNC(=O)CCC#N 527a_100000210953_100011934036 [0,1,0,0,0,1|1,0,1]=4 3857 B10R0.78 CC(C)CNC(=O)CSCF 62a_100000183291_100015361967 [0,1,0,0,0,1|1,1,0]=4 3858 B10R0.78 CC(C)CNC(=O)CSCF 62a_100015361967_100000183291 [0,1,0,0,0,1|1,1,0]=4 3859 B10R0.78 CC(C)CNC(=O)NCC#N 2708a_100000734998_100000210953 [0,1,0,0,0,1|1,0,1]=4 3860 B10R0.78 CC(C)CNC(=O)NCC#N 273464a_100000210953_100000734998 [0,1,0,0,0,1|1,0,1]=4 3861 B10R0.78 CC(C)CNC(=O)NCC#N 273464a_100000734998_100000210953 [0,1,0,0,0,1|1,0,1]=4 3862 B10R0.78 CC(C)CNC(=O)NCC#N 512a_100000210953_100000734998 [0,1,0,0,0,1|1,0,1]=4 3863 B10R0.78 CC(C)CNC(=O)NCC#N 512a_100000734998_100000210953 [0,1,0,0,0,1|1,0,1]=4 3864 B10R0.78 CC(C)CNC(=O)NCCF 2708a_100000210953_100000724931 [0,1,0,0,0,1|1,0,0]=3 3865 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000210953_100000724931 [0,1,0,0,0,1|1,0,0]=3 3866 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000724931_100000210953 [0,1,0,0,0,1|1,0,0]=3 3867 B10R0.78 CC(C)CNC(=O)NCCF 512a_100000210953_100000724931 [0,1,0,0,0,1|1,0,0]=3 3868 B10R0.78 CC(C)CNC(=O)NCCO 2708a_100000210953_100000210304 [0,1,0,0,0,1|1,0,0]=3 3869 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210304_100000210953 [0,1,0,0,0,1|1,0,0]=3 3870 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210953_100000210304 [0,1,0,0,0,1|1,0,0]=3 3871 B10R0.78 CC(C)CNC(=O)NCCO 512a_100000210953_100000210304 [0,1,0,0,0,1|1,0,0]=3 3872 B10R0.78 CC(C)NCC(=O)NCC#N 2230a_100138425928_100000736037 [0,1,0,0,0,1|1,0,1]=4 3873 B10R0.78 CC(C)NCC(=O)NCCF 2230a_100000725713_100000210206 [0,1,0,0,0,1|1,0,0]=3 3874 B10R0.78 CC(C)NNC(=O)NCCF 273464a_100000724931_100000741168 [0,1,0,0,0,1|2,0,0]=4 3875 B10R0.78 CC(C)NNC(=O)NCCF 512a_100000741168_100000724931 [0,1,0,0,0,1|2,0,0]=4 3876 B10R0.78 CC(C)NNC(=O)NCCO 273464a_100000210304_100000741168 [0,1,0,0,0,1|2,0,0]=4 3877 B10R0.78 CC(C)NNC(=O)NCCO 512a_100000741168_100000210304 [0,1,0,0,0,1|2,0,0]=4 3878 B10R0.78 CC(C)OCC(=O)CCC#N 1458a_100000745533_100011215226 [0,1,0,0,0,1|1,0,1]=4 3879 B10R0.78 CC(C)OCC(=O)CCCF 1458a_100000745533_100011934791 [0,1,0,0,0,1|1,0,0]=3 3880 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,1,0,0,0,1|1,0,0]=3 3881 B10R0.78 CC(C)OCC(=O)NCC#N 1626a_100000734998_100000745533 [0,1,0,0,0,1|1,0,1]=4 3882 B10R0.78 CC(C)OCC(=O)NCC#N 527a_100000734998_100000745533 [0,1,0,0,0,1|1,0,1]=4 3883 B10R0.78 CC(C)OCC(=O)NCCF 11a_100000724931_100000745533 [0,1,0,0,0,1|1,0,0]=3 3884 B10R0.78 CC(C)OCC(=O)NCCF 1626a_100000724931_100000745533 [0,1,0,0,0,1|1,0,0]=3 3885 B10R0.78 CC(C)OCC(=O)NCCF 240690a_100000724931_100000745533 [0,1,0,0,0,1|1,0,0]=3 3886 B10R0.78 CC(C)OCC(=O)NCCF 527a_100000724931_100000745533 [0,1,0,0,0,1|1,0,0]=3 3887 B10R0.78 CC(C)OCC(=O)NCCO 240690a_100000210304_100000745533 [0,1,0,0,0,1|1,0,0]=3 3888 B10R0.78 CC(C)OCC(=O)NCCO 527a_100000210304_100000745533 [0,1,0,0,0,1|1,0,0]=3 3889 B10R0.78 CC(C)SCC(=O)CCC#N 1458a_100000241585_100011215226 [0,1,0,0,0,1|1,0,1]=4 3890 B10R0.78 CC(C)SCC(=O)CCCF 1458a_100000241585_100011934791 [0,1,0,0,0,1|1,0,0]=3 3891 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [0,1,0,0,0,1|1,0,0]=3 3892 B10R0.78 CC(C)SCC(=O)NCC#N 1626a_100000734998_100000241585 [0,1,0,0,0,1|1,0,1]=4 3893 B10R0.78 CC(C)SCC(=O)NCC#N 527a_100000734998_100000241585 [0,1,0,0,0,1|1,0,1]=4 3894 B10R0.78 CC(C)SCC(=O)NCC#N 62a_100000210206_100000736037 [0,1,0,0,0,1|1,0,1]=4 3895 B10R0.78 CC(C)SCC(=O)NCC#N 62a_100000736037_100000210206 [0,1,0,0,0,1|1,0,1]=4 3896 B10R0.78 CC(C)SCC(=O)NCCF 11a_100000724931_100000241585 [0,1,0,0,0,1|1,0,0]=3 3897 B10R0.78 CC(C)SCC(=O)NCCF 1626a_100000724931_100000241585 [0,1,0,0,0,1|1,0,0]=3 3898 B10R0.78 CC(C)SCC(=O)NCCF 240690a_100000724931_100000241585 [0,1,0,0,0,1|1,0,0]=3 3899 B10R0.78 CC(C)SCC(=O)NCCF 527a_100000724931_100000241585 [0,1,0,0,0,1|1,0,0]=3 3900 B10R0.78 CC(C)SCC(=O)NCCO 240690a_100000210304_100000241585 [0,1,0,0,0,1|1,0,0]=3 3901 B10R0.78 CC(C)SCC(=O)NCCO 527a_100000210304_100000241585 [0,1,0,0,0,1|1,0,0]=3 3902 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,1,0,0,0,1|2,0,0]=4 3903 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000210904_100000724931 [0,1,0,0,0,1|2,0,0]=4 3904 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000724931_100000210904 [0,1,0,0,0,1|2,0,0]=4 3905 B10R0.78 CC(O)CNC(=O)NCCF 512a_100000210904_100000724931 [0,1,0,0,0,1|2,0,0]=4 3906 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210304_100000210904 [0,1,0,0,0,1|2,0,0]=4 3907 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210904_100000210304 [0,1,0,0,0,1|2,0,0]=4 3908 B10R0.78 CC(O)CNC(=O)NCCO 512a_100000210904_100000210304 [0,1,0,0,0,1|2,0,0]=4 3909 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100000181311_100000070051 [0,1,0,0,0,1|1,0,1]=4 3910 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100121576822_100000210312 [0,1,0,0,0,1|1,0,1]=4 3911 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,1,0,0,0,1|1,0,1]=4 3912 B10R0.78 CC=CCC(=O)CSC(C)C 1458a_100000241585_100000070051 [0,1,0,0,0,1|1,0,1]=4 3913 B10R0.78 CC=CCC(=O)NCC(C)C 11a_100000210953_100121576822 [0,1,0,0,0,1|1,0,1]=4 3914 B10R0.78 CC=CCC(=O)NCC(C)C 1626a_100000210953_100121576822 [0,1,0,0,0,1|1,0,1]=4 3915 B10R0.78 CC=CCC(=O)NCC(C)C 240690a_100000210953_100121576822 [0,1,0,0,0,1|1,0,1]=4 3916 B10R0.78 CC=CCC(=O)NCC(C)C 527a_100000210953_100121576822 [0,1,0,0,0,1|1,0,1]=4 3917 B10R0.78 CCC#CC(=O)CC=C(C)C 1458a_100011827653_100000761012 [0,1,0,0,0,1|1,0,1]=4 3918 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,1,0,0,0,1|1,0,0]=3 3919 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,1,0,0,0,1|2,0,0]=4 3920 B10R0.78 CCC#CC(=O)NNC(C)C 22a_100000741168_100011827653 [0,1,0,0,0,1|2,0,0]=4 3921 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,1,0,0,0,1|1,0,1]=4 3922 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,1,0,0,0,1|1,0,0]=3 3923 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,1,0,0,0,1|2,0,0]=4 3924 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [0,1,0,0,0,1|1,0,0]=3 3925 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [0,1,0,0,0,1|1,0,0]=3 3926 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [0,1,0,0,0,1|1,0,0]=3 3927 B10R0.78 CCC=CC(=O)NCC(C)O 11a_100000210904_100000212282 [0,1,0,0,0,1|2,0,0]=4 3928 B10R0.78 CCC=CC(=O)NCC(C)O 240690a_100000210904_100000212282 [0,1,0,0,0,1|2,0,0]=4 3929 B10R0.78 CCC=CC(=O)NNC(C)C 22a_100000741168_100000212282 [0,1,0,0,0,1|2,0,0]=4 3930 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,1,0,0,0,1|1,0,1]=4 3931 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,1,0,0,0,1|1,0,1]=4 3932 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,1,0,0,0,1|1,0,1]=4 3933 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,1,0,0,0,1|1,0,0]=3 3934 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,1,0,0,0,1|1,0,0]=3 3935 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,1,0,0,0,1|2,0,0]=4 3936 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,1,0,0,0,1|2,0,0]=4 3937 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,1,0,0,0,1|1,0,0]=3 3938 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,1,0,0,0,1|1,0,0]=3 3939 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,1,0,0,0,1|1,0,0]=3 3940 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,1,0,0,0,1|1,0,0]=3 3941 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,1,0,0,0,1|1,0,0]=3 3942 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,1,0,0,0,1|1,0,0]=3 3943 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,1,0,0,0,1|2,0,0]=4 3944 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,1,0,0,0,1|2,0,0]=4 3945 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,1,0,0,0,1|2,0,0]=4 3946 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [0,1,0,0,0,1|2,0,0]=4 3947 B10R0.78 CCCNC(=O)C=CC(C)C 11a_100020643023_100016268746 [0,1,0,0,0,1|1,0,1]=4 3948 B10R0.78 CCCNC(=O)C=CC(C)C 1626a_100020643023_100016268746 [0,1,0,0,0,1|1,0,1]=4 3949 B10R0.78 CCCNC(=O)C=CC(C)C 240690a_100020643023_100016268746 [0,1,0,0,0,1|1,0,1]=4 3950 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,1,0,0,0,1|1,0,1]=4 3951 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,1,0,0,0,1|1,0,1]=4 3952 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,1,0,0,0,1|1,0,1]=4 3953 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,1,0,0,0,1|1,0,1]=4 3954 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,1,0,0,0,1|1,0,0]=3 3955 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,1,0,0,0,1|1,0,0]=3 3956 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,1,0,0,0,1|1,0,0]=3 3957 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,1,0,0,0,1|1,0,0]=3 3958 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,1,0,0,0,1|2,0,0]=4 3959 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [0,1,0,0,0,1|2,0,0]=4 3960 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [0,1,0,0,0,1|2,0,0]=4 3961 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [0,1,0,0,0,1|2,0,0]=4 3962 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [0,1,0,0,0,1|2,0,0]=4 3963 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [0,1,0,0,0,1|2,0,0]=4 3964 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [0,1,0,0,0,1|2,0,0]=4 3965 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100000174927_100000210206 [0,1,0,0,0,1|1,0,0]=3 3966 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100138425928_100000183358 [0,1,0,0,0,1|1,0,0]=3 3967 B10R0.78 CCCNC(=O)CNC(C)C 34a_100138425928_100000183358 [0,1,0,0,0,1|1,0,0]=3 3968 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,1,0,0,0,1|1,0,0]=3 3969 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,1,0,0,0,1|1,0,0]=3 3970 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,1,0,0,0,1|1,0,0]=3 3971 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,1,0,0,0,1|1,0,0]=3 3972 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,1,0,0,0,1|1,0,0]=3 3973 B10R0.78 CCCNC(=O)CSC(C)C 11a_100020643023_100000241585 [0,1,0,0,0,1|1,0,0]=3 3974 B10R0.78 CCCNC(=O)CSC(C)C 1626a_100020643023_100000241585 [0,1,0,0,0,1|1,0,0]=3 3975 B10R0.78 CCCNC(=O)CSC(C)C 240690a_100020643023_100000241585 [0,1,0,0,0,1|1,0,0]=3 3976 B10R0.78 CCCNC(=O)CSC(C)C 527a_100020643023_100000241585 [0,1,0,0,0,1|1,0,0]=3 3977 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000183358_100000210206 [0,1,0,0,0,1|1,0,0]=3 3978 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000210206_100000183358 [0,1,0,0,0,1|1,0,0]=3 3979 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [0,1,0,0,0,1|1,0,0]=3 3980 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [0,1,0,0,0,1|1,0,0]=3 3981 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [0,1,0,0,0,1|1,0,0]=3 3982 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [0,1,0,0,0,1|1,0,0]=3 3983 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [0,1,0,0,0,1|1,0,0]=3 3984 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [0,1,0,0,0,1|1,0,0]=3 3985 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,1,0,0,0,1|2,0,0]=4 3986 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,1,0,0,0,1|2,0,0]=4 3987 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,1,0,0,0,1|2,0,0]=4 3988 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,1,0,0,0,1|2,0,0]=4 3989 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,1,0,0,0,1|2,0,0]=4 3990 B10R0.78 CCCNC(=O)NNC(C)C 273464a_100020643023_100000741168 [0,1,0,0,0,1|2,0,0]=4 3991 B10R0.78 CCCNC(=O)NNC(C)C 512a_100000741168_100020643023 [0,1,0,0,0,1|2,0,0]=4 3992 B10R0.78 CCCNC(=O)NNC(C)C 512a_100020643023_100000741168 [0,1,0,0,0,1|2,0,0]=4 3993 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,1,0,0,0,1|0,0,0]=2 3994 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,1,0,0,0,1|0,0,0]=2 3995 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,1,0,0,0,1|0,0,0]=2 3996 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,1,0,0,0,1|0,0,0]=2 3997 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,1,0,0,0,1|0,0,0]=2 3998 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,1,0,0,0,1|1,0,1]=4 3999 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,1,0,0,0,1|1,0,0]=3 4000 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [0,1,0,0,0,1|1,0,1]=4 4001 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [0,1,0,0,0,1|1,0,1]=4 4002 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [0,1,0,0,0,1|1,0,1]=4 4003 B10R0.78 CCCOC(C)CNC(C)C 2230a_100015185124_100000210206 [0,1,0,0,0,1|1,0,1]=4 4004 B10R0.78 CCCOC(C)CNC(C)C 34a_100015185124_100000210206 [0,1,0,0,0,1|1,0,1]=4 4005 B10R0.78 CCNCC(=O)NCC(C)C 2230a_100015525214_100000183291 [0,1,0,0,0,1|1,0,0]=3 4006 B10R0.78 CCNN=C(C)CCC(C)C 4a_100000756455_100000210476 [0,1,0,0,0,1|2,0,0]=4 4007 B10R0.78 CCNNC(=O)C=CC(C)C 22a_100000756455_100016268746 [0,1,0,0,0,1|1,0,1]=4 4008 B10R0.78 CCNNC(=O)CC=C(C)C 22a_100000756455_100011220947 [0,1,0,0,0,1|1,0,1]=4 4009 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,1,0,0,0,1|1,0,0]=3 4010 B10R0.78 CCNNC(=O)CCN(C)C 22a_100000756455_100000689311 [0,1,0,0,0,1|2,0,0]=4 4011 B10R0.78 CCNNC(=O)CC[S+](C)C 22a_100000756455_100009452791 [0,1,0,0,0,1|2,0,0]=4 4012 B10R0.78 CCNNC(=O)COC(C)C 22a_100000756455_100000745533 [0,1,0,0,0,1|1,0,0]=3 4013 B10R0.78 CCNNC(=O)CSC(C)C 22a_100000756455_100000241585 [0,1,0,0,0,1|1,0,0]=3 4014 B10R0.78 CCNNC(=O)NCC(C)C 273464a_100000210953_100000756455 [0,1,0,0,0,1|1,0,0]=3 4015 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000210953_100000756455 [0,1,0,0,0,1|1,0,0]=3 4016 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000756455_100000210953 [0,1,0,0,0,1|1,0,0]=3 4017 B10R0.78 CCNNC(=O)NCC(C)O 273464a_100000210904_100000756455 [0,1,0,0,0,1|2,0,0]=4 4018 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000210904_100000756455 [0,1,0,0,0,1|2,0,0]=4 4019 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000756455_100000210904 [0,1,0,0,0,1|2,0,0]=4 4020 B10R0.78 CCNNC(=O)NNC(C)C 512a_100000741168_100000756455 [0,1,0,0,0,1|2,0,0]=4 4021 B10R0.78 CCNNC(=O)NNC(C)C 512a_100000756455_100000741168 [0,1,0,0,0,1|2,0,0]=4 4022 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,1,0,0,0,1|0,0,1]=3 4023 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,1,0,0,0,1|0,0,0]=2 4024 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,1,0,0,0,1|1,0,0]=3 4025 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,1|1,0,1]=4 4026 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,1,0,0,0,1|0,0,0]=2 4027 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,1,0,0,0,1|0,0,0]=2 4028 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,1,0,0,0,1|0,0,0]=2 4029 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,1,0,0,0,1|0,0,0]=2 4030 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,1,0,0,0,1|0,0,0]=2 4031 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,1,0,0,0,1|1,0,0]=3 4032 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,1,0,0,0,1|1,0,0]=3 4033 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,1,0,0,0,1|1,0,0]=3 4034 B10R0.78 CCOCC(=O)NCC(F)F 11a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 4035 B10R0.78 CCOCC(=O)NCC(F)F 1626a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 4036 B10R0.78 CCOCC(=O)NCC(F)F 240690a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 4037 B10R0.78 CCOCC(=O)NCC(F)F 527a_100000765723_100000211967 [0,1,0,0,0,1|2,0,0]=4 4038 B10R0.78 CCOCC(=O)NNC(C)C 22a_100000741168_100000211967 [0,1,0,0,0,1|1,0,0]=3 4039 B10R0.78 CCOCC(C)OCC(C)C 34a_100000718985_100000210624 [0,1,0,0,0,1|1,0,1]=4 4040 B10R0.78 CCOCC(C)OCC(C)C 7a_100000718985_100000210760 [0,1,0,0,0,1|1,0,1]=4 4041 B10R0.78 CCOCC(O)CNC(C)C 2230a_102515437182_100000210206 [0,1,0,0,0,1|0,0,2]=4 4042 B10R0.78 CCOCC(O)CNC(C)C 34a_102515437182_100000210206 [0,1,0,0,0,1|0,0,2]=4 4043 B10R0.78 CCOCN(C)CCC(C)C 269982a_100000742789_100000739092 [0,1,0,0,0,1|2,0,0]=4 4044 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,1,0,0,0,1|0,1,1]=4 4045 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,1,0,0,0,1|0,1,0]=3 4046 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,1,0,0,0,1|1,1,0]=4 4047 B10R0.78 CCSCC(=O)NCC(C)C 11a_100000210953_100000230394 [0,1,0,0,0,1|0,1,0]=3 4048 B10R0.78 CCSCC(=O)NCC(C)C 1626a_100000210953_100000230394 [0,1,0,0,0,1|0,1,0]=3 4049 B10R0.78 CCSCC(=O)NCC(C)C 240690a_100000210953_100000230394 [0,1,0,0,0,1|0,1,0]=3 4050 B10R0.78 CCSCC(=O)NCC(C)C 527a_100000210953_100000230394 [0,1,0,0,0,1|0,1,0]=3 4051 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000183291_100000210202 [0,1,0,0,0,1|0,1,0]=3 4052 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000210202_100000183291 [0,1,0,0,0,1|0,1,0]=3 4053 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [0,1,0,0,0,1|1,1,0]=4 4054 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [0,1,0,0,0,1|1,1,0]=4 4055 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [0,1,0,0,0,1|1,1,0]=4 4056 B10R0.78 CCSCC(=O)NNC(C)C 22a_100000741168_100000230394 [0,1,0,0,0,1|1,1,0]=4 4057 B10R0.78 CN(C)CCC(=O)NCCF 11a_100000724931_100000689311 [0,1,0,0,0,1|2,0,0]=4 4058 B10R0.78 CN(C)CCC(=O)NCCF 240690a_100000724931_100000689311 [0,1,0,0,0,1|2,0,0]=4 4059 B10R0.78 CN(C)CCC(=O)NCCF 527a_100000724931_100000689311 [0,1,0,0,0,1|2,0,0]=4 4060 B10R0.78 CN(C)CCC(=O)NCCO 240690a_100000210304_100000689311 [0,1,0,0,0,1|2,0,0]=4 4061 B10R0.78 CN(C)CCC(=O)NCCO 527a_100000210304_100000689311 [0,1,0,0,0,1|2,0,0]=4 4062 B10R0.78 COC=CC(=O)CCC(C)C 1458a_100016268678_100000210312 [0,1,0,0,0,1|1,0,1]=4 4063 B10R0.78 COC=CC(=O)NCC(C)C 1626a_100000210953_100016268678 [0,1,0,0,0,1|1,0,1]=4 4064 B10R0.78 COC=CC(=O)NCC(C)C 240690a_100000210953_100016268678 [0,1,0,0,0,1|1,0,1]=4 4065 B10R0.78 COCCC(=O)C=CC(C)C 1458a_100016268746_100000233755 [0,1,0,0,0,1|1,0,1]=4 4066 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,1,0,0,0,1|1,0,1]=4 4067 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,1,0,0,0,1|1,0,1]=4 4068 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,1,0,0,0,1|1,0,0]=3 4069 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,1,0,0,0,1|1,0,0]=3 4070 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,1,0,0,0,1|2,0,0]=4 4071 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,1,0,0,0,1|2,0,0]=4 4072 B10R0.78 COCCC(=O)COC(C)C 1458a_100000745533_100000233755 [0,1,0,0,0,1|1,0,0]=3 4073 B10R0.78 COCCC(=O)CSC(C)C 1458a_100000241585_100000233755 [0,1,0,0,0,1|1,0,0]=3 4074 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [0,1,0,0,0,1|1,0,0]=3 4075 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [0,1,0,0,0,1|1,0,0]=3 4076 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [0,1,0,0,0,1|1,0,0]=3 4077 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [0,1,0,0,0,1|1,0,0]=3 4078 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,1,0,0,0,1|2,0,0]=4 4079 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,1,0,0,0,1|2,0,0]=4 4080 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,1,0,0,0,1|2,0,0]=4 4081 B10R0.78 COCCC(=O)NNC(C)C 22a_100000741168_100000749529 [0,1,0,0,0,1|2,0,0]=4 4082 B10R0.78 COCO[C@H](C)COC(C)C 34a_100016172286_100000210206 [0,1,0,0,0,1|1,0,1]=4 4083 B10R0.78 COCO[C@H](C)COC(C)C 7a_100016172286_100000210206 [0,1,0,0,0,1|1,0,1]=4 4084 B10R0.78 CSCCC(=O)C=CC(C)C 1458a_100016268746_100000751147 [0,1,0,0,0,1|1,0,1]=4 4085 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,1,0,0,0,1|1,0,1]=4 4086 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,1,0,0,0,1|1,0,1]=4 4087 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,1,0,0,0,1|1,0,0]=3 4088 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,1,0,0,0,1|1,0,0]=3 4089 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,1,0,0,0,1|2,0,0]=4 4090 B10R0.78 CSCCC(=O)CC[S+](C)C 1458a_100009452791_100000751147 [0,1,0,0,0,1|2,0,0]=4 4091 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,1,0,0,0,1|1,0,0]=3 4092 B10R0.78 CSCCC(=O)CSC(C)C 1458a_100000241585_100000751147 [0,1,0,0,0,1|1,0,0]=3 4093 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [0,1,0,0,0,1|1,0,0]=3 4094 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [0,1,0,0,0,1|1,0,0]=3 4095 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [0,1,0,0,0,1|1,0,0]=3 4096 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [0,1,0,0,0,1|1,0,0]=3 4097 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,1,0,0,0,1|2,0,0]=4 4098 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,1,0,0,0,1|2,0,0]=4 4099 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,1,0,0,0,1|2,0,0]=4 4100 B10R0.78 CSCCC(=O)NNC(C)C 22a_100000741168_100000174002 [0,1,0,0,0,1|2,0,0]=4 4101 B10R0.78 CSCOC(C)CCC(C)C 34a_100011215350_100011218213 [0,1,0,0,0,1|1,0,1]=4 4102 B10R0.78 C[S+](C)CCC(=O)CCCF 1458a_100009452791_100011934791 [0,1,0,0,0,1|2,0,0]=4 4103 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [0,1,0,0,0,1|2,0,0]=4 4104 B10R0.78 C[S+](C)CCC(=O)NCCF 11a_100000724931_100009452791 [0,1,0,0,0,1|2,0,0]=4 4105 B10R0.78 C[S+](C)CCC(=O)NCCF 1626a_100000724931_100009452791 [0,1,0,0,0,1|2,0,0]=4 4106 B10R0.78 C[S+](C)CCC(=O)NCCF 240690a_100000724931_100009452791 [0,1,0,0,0,1|2,0,0]=4 4107 B10R0.78 C[S+](C)CCC(=O)NCCO 240690a_100000210304_100009452791 [0,1,0,0,0,1|2,0,0]=4 4108 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,0,1|1,0,1]=4 4109 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,1,0,0,0,1|1,0,1]=4 4110 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,1,0,0,0,1|1,0,1]=4 4111 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,1,0,0,0,1|1,0,1]=4 4112 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,1,0,0,0,1|1,0,1]=4 4113 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,1,0,0,0,1|1,0,1]=4 4114 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 4115 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 4116 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 4117 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,1,0,0,0,1|1,0,1]=4 4118 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,1,0,0,0,1|1,0,1]=4 4119 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,1,0,0,0,1|1,0,1]=4 4120 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,1,0,0,0,1|1,0,1]=4 4121 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,1,0,0,0,1|1,0,1]=4 4122 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,0,1|1,0,1]=4 4123 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,0,1|1,0,1]=4 4124 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,0,1|1,0,1]=4 4125 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,0,1|1,0,1]=4 4126 B10R0.96 CC(=CCC(=O)NC(C)C)C 11a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 4127 B10R0.96 CC(=CCC(=O)NC(C)C)C 1626a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 4128 B10R0.96 CC(=CCC(=O)NC(C)C)C 240690a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 4129 B10R0.96 CC(=CCC(=O)NC(C)C)C 527a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 4130 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,1,0,0,0,1|1,0,1]=4 4131 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,1|1,0,1]=4 4132 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,1|1,0,1]=4 4133 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,1,0,0,0,1|1,0,1]=4 4134 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,1,0,0,0,1|1,0,1]=4 4135 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,1,0,0,0,1|1,0,1]=4 4136 B10R0.96 CC(C)C=CC(=O)NC(C)C 11a_100138425928_100016268746 [0,1,0,0,0,1|1,0,1]=4 4137 B10R0.96 CC(C)C=CC(=O)NC(C)C 1626a_100138425928_100016268746 [0,1,0,0,0,1|1,0,1]=4 4138 B10R0.96 CC(C)C=CC(=O)NC(C)C 240690a_100138425928_100016268746 [0,1,0,0,0,1|1,0,1]=4 4139 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,1|2,0,0]=4 4140 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,1,0,0,0,1|2,0,0]=4 4141 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,1,0,0,0,1|1,0,0]=3 4142 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,1,0,0,0,1|1,0,0]=3 4143 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,1,0,0,0,1|2,0,0]=4 4144 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,1,0,0,0,1|2,0,0]=4 4145 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,1,0,0,0,1|2,0,0]=4 4146 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,1,0,0,0,1|2,0,0]=4 4147 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,0,1|1,0,0]=3 4148 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,0,1|1,0,0]=3 4149 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,1|1,0,0]=3 4150 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,1,0,0,0,1|2,0,0]=4 4151 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,1,0,0,0,1|2,0,0]=4 4152 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,1|1,0,0]=3 4153 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,1,0,0,0,1|2,0,0]=4 4154 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,0,1|1,0,0]=3 4155 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,0,1|1,0,0]=3 4156 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,0,1|1,0,0]=3 4157 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,0,1|1,0,0]=3 4158 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,1,0,0,0,1|1,0,1]=4 4159 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,1,0,0,0,1|1,0,1]=4 4160 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,1,0,0,0,1|1,0,1]=4 4161 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 4162 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 4163 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 4164 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 4165 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,1,0,0,0,1|2,0,0]=4 4166 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,1,0,0,0,1|2,0,0]=4 4167 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,1,0,0,0,1|2,0,0]=4 4168 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,1,0,0,0,1|2,0,0]=4 4169 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,1,0,0,0,1|2,0,0]=4 4170 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,1,0,0,0,1|1,0,0]=3 4171 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 4172 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 4173 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 4174 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 4175 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,1,0,0,0,1|1,0,0]=3 4176 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,1,0,0,0,1|1,0,0]=3 4177 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,1,0,0,0,1|1,0,0]=3 4178 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,1,0,0,0,1|1,0,0]=3 4179 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,1,0,0,0,1|1,0,0]=3 4180 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [0,1,0,0,0,1|2,0,0]=4 4181 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [0,1,0,0,0,1|2,0,0]=4 4182 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [0,1,0,0,0,1|2,0,0]=4 4183 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [0,1,0,0,0,1|2,0,0]=4 4184 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [0,1,0,0,0,1|2,0,0]=4 4185 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [0,1,0,0,0,1|2,0,0]=4 4186 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [0,1,0,0,0,1|2,0,0]=4 4187 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [0,1,0,0,0,1|2,0,0]=4 4188 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 4189 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 4190 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 4191 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [0,1,0,0,0,1|1,0,0]=3 4192 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 4193 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 4194 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 4195 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 4196 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 4197 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [0,1,0,0,0,1|1,0,0]=3 4198 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [0,1,0,0,0,1|1,0,0]=3 4199 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [0,1,0,0,0,1|1,0,0]=3 4200 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [0,1,0,0,0,1|1,0,0]=3 4201 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [0,1,0,0,0,1|1,0,0]=3 4202 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,1,0,0,0,1|0,0,0]=2 4203 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,1,0,0,0,1|0,0,0]=2 4204 B10R0.96 CC(C)NNC(=O)C[C@@H](C)O 22a_100000741168_100011933948 [0,1,0,0,0,1|2,0,0]=4 4205 B10R0.96 CC(C)NNC(=O)NC(C)C 273464a_100138425928_100000741168 [0,1,0,0,0,1|2,0,0]=4 4206 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100000741168_100138425928 [0,1,0,0,0,1|2,0,0]=4 4207 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100138425928_100000741168 [0,1,0,0,0,1|2,0,0]=4 4208 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,1,0,0,0,1|1,0,0]=3 4209 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,1,0,0,0,1|1,0,0]=3 4210 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,1,0,0,0,1|0,0,0]=2 4211 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,1,0,0,0,1|0,0,0]=2 4212 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,1,0,0,0,1|1,0,0]=3 4213 B10R0.96 CC(C)OCC(=O)CC(F)F 1458a_100000745533_100011934356 [0,1,0,0,0,1|2,0,0]=4 4214 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,1,0,0,0,1|0,0,0]=2 4215 B10R0.96 CC(C)SCC(=O)CC(F)F 1458a_100000241585_100011934356 [0,1,0,0,0,1|2,0,0]=4 4216 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,1,0,0,0,1|2,0,0]=4 4217 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,1,0,0,0,1|1,0,0]=3 4218 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,1,0,0,0,1|1,0,0]=3 4219 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,1|2,0,0]=4 4220 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,1|2,0,0]=4 4221 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,1,0,0,0,1|2,0,0]=4 4222 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,1,0,0,0,1|2,0,0]=4 4223 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,1,0,0,0,1|2,0,0]=4 4224 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,1,0,0,0,1|2,0,0]=4 4225 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,1,0,0,0,1|2,0,0]=4 4226 B10R0.105 CCCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211391 [0,1,0,0,0,1|2,0,0]=4 4227 B10R0.105 CCCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211391 [0,1,0,0,0,1|2,0,0]=4 4228 B10R0.105 CCCS(=O)(=O)NCC(C)C 40a_100000210953_100000054278 [0,1,0,0,0,1|2,0,0]=4 4229 B10R0.105 CCNS(=O)(=O)CCC(C)C 270084a_100015525214_100000750698 [0,1,0,0,0,1|2,0,0]=4 4230 B10R0.105 CCNS(=O)(=O)CCC(C)C 274078a_100015525214_100000750698 [0,1,0,0,0,1|2,0,0]=4 4231 B10R0.105 CCOC(C)(C)CCC(C)C 34a_100121572206_200000037585 [0,1,0,0,0,1|1,0,1]=4 4232 B10R0.105 CCOC(C)(C)CCC(C)C 7a_200011218267_100000210202 [0,1,0,0,0,1|1,0,1]=4 4233 B10R0.105 CCO[Si](C)(C)CSC(C)C 62a_100000210206_200000065227 [0,1,0,0,0,1|1,1,0]=4 4234 B10R0.105 CCO[Si](C)(C)CSC(C)C 62a_200000065227_100000210206 [0,1,0,0,0,1|1,1,0]=4 4235 B10R0.108 C#CC(C)NCC(=O)CCC 2230a_100000707721_100000747444 [0,1,0,0,0,1|1,0,1]=4 4236 B10R0.108 C#CC(C)NCC(=O)NCC 2230a_100000707721_100000183381 [0,1,0,0,0,1|1,0,1]=4 4237 B10R0.108 C#CC(C)NCC(=O)NCC 34a_100000707721_100000183381 [0,1,0,0,0,1|1,0,1]=4 4238 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,1,0,0,0,1|0,0,1]=3 4239 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,1,0,0,0,1|0,0,1]=3 4240 B10R0.108 C#CC(C)SCC(=O)CCC 62a_200000035995_100000747444 [0,1,0,0,0,1|1,0,1]=4 4241 B10R0.108 C#CC(C)SCC(=O)NCC 62a_200000035995_100000183381 [0,1,0,0,0,1|1,0,1]=4 4242 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,1,0,0,0,1|0,0,1]=3 4243 B10R0.108 C#C[C@@H](C)OCC(=O)CCC 7a_100009815206_100000747444 [0,1,0,0,0,1|1,0,1]=4 4244 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 34a_100009815206_100000183381 [0,1,0,0,0,1|1,0,1]=4 4245 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 7a_100009815206_100000183381 [0,1,0,0,0,1|1,0,1]=4 4246 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,1,0,0,0,1|0,0,1]=3 4247 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,1,0,0,0,1|0,0,1]=3 4248 B10R0.108 C=CC(C)OCC(=O)NCC 34a_100000695699_100000183381 [0,1,0,0,0,1|1,0,1]=4 4249 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,1,0,0,0,1|0,0,1]=3 4250 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,1,0,0,0,1|1,0,1]=4 4251 B10R0.108 C=CC(C)SCC(=O)NCC 62a_100011215867_100000183381 [0,1,0,0,0,1|1,0,1]=4 4252 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,1,0,0,0,1|0,0,1]=3 4253 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,1,0,0,0,1|0,0,2]=4 4254 B10R0.108 C=COC(=O)CN[C@H](C)CO 2230a_100000737577_100000036128 [0,1,0,0,0,1|0,0,2]=4 4255 B10R0.108 C=COC(=O)COC(C)CF 34a_100016041109_100000036128 [0,1,0,0,0,1|0,0,2]=4 4256 B10R0.108 C=COC(=O)COC(C)CN 34a_100000210904_100000036128 [0,1,0,0,0,1|0,0,2]=4 4257 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,1,0,0,0,1|0,0,2]=4 4258 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,1,0,0,0,1|0,0,2]=4 4259 B10R0.108 C=COC(=O)CSC(C)CO 62a_100012180447_100000036128 [0,1,0,0,0,1|0,0,2]=4 4260 B10R0.108 C=COC(=O)CSC(C)OC 62a_100000036128_100009879195 [0,1,0,0,0,1|0,0,2]=4 4261 B10R0.108 C=COC(=O)CSC(C)OC 62a_100009879195_100000036128 [0,1,0,0,0,1|0,0,2]=4 4262 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100000036128_100016084084 [0,1,0,0,0,1|0,0,2]=4 4263 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100016084084_100000036128 [0,1,0,0,0,1|0,0,2]=4 4264 B10R0.108 CC(CF)OCC(=O)NCO 34a_100016041109_100000185155 [0,1,0,0,0,1|2,0,0]=4 4265 B10R0.108 CC(CF)OCC(=O)NCO 7a_100016041109_100000185155 [0,1,0,0,0,1|2,0,0]=4 4266 B10R0.108 CC(CN)OCC(=O)NCO 34a_100000210904_100000185155 [0,1,0,0,0,1|2,0,0]=4 4267 B10R0.108 CC(CO)CNC(=O)CCO 240690a_100000744482_100011216618 [0,1,0,0,0,1|2,0,0]=4 4268 B10R0.108 CC(CO)SCC(=O)NCO 62a_100012180447_100000185155 [0,1,0,0,0,1|2,0,0]=4 4269 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,1,0,0,0,1|1,0,1]=4 4270 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,1,0,0,0,1|1,0,1]=4 4271 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,1,0,0,0,1|1,0,1]=4 4272 B10R0.108 CC=CC(=O)NCC(C)CO 240690a_100000744482_100000210699 [0,1,0,0,0,1|1,0,1]=4 4273 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000210699 [0,1,0,0,0,1|1,0,1]=4 4274 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210699 [0,1,0,0,0,1|1,0,1]=4 4275 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210699 [0,1,0,0,0,1|1,0,1]=4 4276 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,1,0,0,0,1|2,0,0]=4 4277 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,1,0,0,0,1|2,0,0]=4 4278 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,1,0,0,0,1|2,0,0]=4 4279 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,1,0,0,0,1|2,0,0]=4 4280 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,1,0,0,0,1|2,0,0]=4 4281 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,1,0,0,0,1|2,0,0]=4 4282 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,1,0,0,0,1|2,0,0]=4 4283 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,1,0,0,0,1|2,0,0]=4 4284 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,1,0,0,0,1|2,0,0]=4 4285 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,1,0,0,0,1|2,0,0]=4 4286 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,1,0,0,0,1|2,0,0]=4 4287 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,1,0,0,0,1|2,0,0]=4 4288 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,1,0,0,0,1|2,0,0]=4 4289 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,1,0,0,0,1|2,0,0]=4 4290 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,1,0,0,0,1|2,0,0]=4 4291 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,1,0,0,0,1|2,0,0]=4 4292 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,1,0,0,0,1|2,0,0]=4 4293 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,1,0,0,0,1|2,0,0]=4 4294 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,1,0,0,0,1|2,0,0]=4 4295 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,1|1,0,0]=3 4296 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,1,0,0,0,1|2,0,0]=4 4297 B10R0.108 CCCC(=O)CNC(C)C#N 2230a_100000737613_100000747444 [0,1,0,0,0,1|1,0,1]=4 4298 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,1,0,0,0,1|1,0,0]=3 4299 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,1,0,0,0,1|1,0,0]=3 4300 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,1,0,0,0,1|1,0,0]=3 4301 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,1,0,0,0,1|1,0,0]=3 4302 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000703298_100000747444 [0,1,0,0,0,1|1,0,1]=4 4303 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000747444_100000703298 [0,1,0,0,0,1|1,0,1]=4 4304 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,1,0,0,0,1|1,0,0]=3 4305 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,1,0,0,0,1|1,0,0]=3 4306 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,1,0,0,0,1|1,0,0]=3 4307 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,1,0,0,0,1|1,0,0]=3 4308 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,1,0,0,0,1|1,0,0]=3 4309 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,1,0,0,0,1|1,0,0]=3 4310 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,1,0,0,0,1|1,0,0]=3 4311 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,1,0,0,0,1|1,0,0]=3 4312 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,1,0,0,0,1|1,0,0]=3 4313 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,1,0,0,0,1|1,0,0]=3 4314 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,1,0,0,0,1|1,0,0]=3 4315 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,1,0,0,0,1|1,0,0]=3 4316 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,1,0,0,0,1|1,0,0]=3 4317 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,1,0,0,0,1|2,0,0]=4 4318 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,1,0,0,0,1|2,0,0]=4 4319 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,1,0,0,0,1|2,0,0]=4 4320 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 4321 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 4322 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 4323 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,1,0,0,0,1|1,0,0]=3 4324 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,1,0,0,0,1|2,0,0]=4 4325 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,1,0,0,0,1|2,0,0]=4 4326 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,1,0,0,0,1|2,0,0]=4 4327 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,1,0,0,0,1|2,0,0]=4 4328 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,1,0,0,0,1|2,0,0]=4 4329 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,1,0,0,0,1|2,0,0]=4 4330 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,1,0,0,0,1|2,0,0]=4 4331 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,0,0,0,1|1,0,0]=3 4332 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,0,0,0,1|1,0,0]=3 4333 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,0,0,0,1|1,0,0]=3 4334 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,1|2,0,0]=4 4335 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,1,0,0,0,1|2,0,0]=4 4336 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,1,0,0,0,1|2,0,0]=4 4337 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,1,0,0,0,1|2,0,0]=4 4338 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100000737613_100000183381 [0,1,0,0,0,1|1,0,1]=4 4339 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100016988866_100000184139 [0,1,0,0,0,1|1,0,1]=4 4340 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,1,0,0,0,1|1,0,0]=3 4341 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,1,0,0,0,1|1,0,0]=3 4342 B10R0.108 CCNC(=O)CNC(C)CO 2230a_100016988866_100012180447 [0,1,0,0,0,1|1,0,0]=3 4343 B10R0.108 CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183381 [0,1,0,0,0,1|1,0,0]=3 4344 B10R0.108 CCNC(=O)COC(C)C#N 34a_100011218135_100000183381 [0,1,0,0,0,1|1,0,1]=4 4345 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,1,0,0,0,1|1,0,0]=3 4346 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,1,0,0,0,1|1,0,0]=3 4347 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,1,0,0,0,1|1,0,0]=3 4348 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,1,0,0,0,1|1,0,0]=3 4349 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000183381_100000703298 [0,1,0,0,0,1|1,0,1]=4 4350 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000703298_100000183381 [0,1,0,0,0,1|1,0,1]=4 4351 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,1,0,0,0,1|1,0,0]=3 4352 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,1,0,0,0,1|1,0,0]=3 4353 B10R0.108 CCNC(=O)CSC(C)CO 62a_100012180447_100000183381 [0,1,0,0,0,1|1,0,0]=3 4354 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,1,0,0,0,1|1,0,0]=3 4355 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,1,0,0,0,1|1,0,0]=3 4356 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100000183381_100016084084 [0,1,0,0,0,1|1,0,0]=3 4357 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183381 [0,1,0,0,0,1|1,0,0]=3 4358 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,1,0,0,0,1|1,0,0]=3 4359 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,1,0,0,0,1|1,0,0]=3 4360 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,1,0,0,0,1|1,0,0]=3 4361 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,1,0,0,0,1|1,0,0]=3 4362 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,1,0,0,0,1|1,0,0]=3 4363 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,1,0,0,0,1|1,0,0]=3 4364 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,1,0,0,0,1|1,0,0]=3 4365 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,1,0,0,0,1|1,0,0]=3 4366 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,1,0,0,0,1|1,0,0]=3 4367 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,1,0,0,0,1|1,0,0]=3 4368 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,1,0,0,0,1|1,0,0]=3 4369 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,1,0,0,0,1|2,0,0]=4 4370 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,1,0,0,0,1|2,0,0]=4 4371 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,1,0,0,0,1|2,0,0]=4 4372 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,1,0,0,0,1|2,0,0]=4 4373 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,1,0,0,0,1|1,0,0]=3 4374 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,1,0,0,0,1|1,0,0]=3 4375 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,1,0,0,0,1|1,0,0]=3 4376 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,1,0,0,0,1|1,0,0]=3 4377 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,1,0,0,0,1|1,0,0]=3 4378 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,1,0,0,0,1|1,0,0]=3 4379 B10R0.108 CCNC(=O)NC[C@@H](F)CO 2708a_100015525214_100015665980 [0,1,0,0,0,1|2,0,0]=4 4380 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015525214_100015665980 [0,1,0,0,0,1|2,0,0]=4 4381 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100015525214 [0,1,0,0,0,1|2,0,0]=4 4382 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015525214_100015665980 [0,1,0,0,0,1|2,0,0]=4 4383 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100015525214 [0,1,0,0,0,1|2,0,0]=4 4384 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,1,0,0,0,1|2,0,0]=4 4385 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,1,0,0,0,1|2,0,0]=4 4386 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,1,0,0,0,1|2,0,0]=4 4387 B10R0.108 CCNC(=O)NNC(C)CC 273464a_100015525214_100000718999 [0,1,0,0,0,1|2,0,0]=4 4388 B10R0.108 CCNC(=O)NNC(C)CC 512a_100000718999_100015525214 [0,1,0,0,0,1|2,0,0]=4 4389 B10R0.108 CCNC(=O)NNC(C)CC 512a_100015525214_100000718999 [0,1,0,0,0,1|2,0,0]=4 4390 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,1|1,0,1]=4 4391 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,1|1,0,1]=4 4392 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,1|1,0,1]=4 4393 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,1|1,0,1]=4 4394 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,1|1,0,1]=4 4395 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,1|0,0,0]=2 4396 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,1|0,0,0]=2 4397 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,1|0,0,0]=2 4398 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,1|0,0,0]=2 4399 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,1|0,0,0]=2 4400 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,1|0,0,0]=2 4401 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,1|0,0,0]=2 4402 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,1|0,0,0]=2 4403 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,1|1,0,0]=3 4404 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,1|1,0,0]=3 4405 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,1|1,0,0]=3 4406 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,1|1,0,0]=3 4407 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,1|1,0,0]=3 4408 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,1|1,0,0]=3 4409 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,1|1,0,0]=3 4410 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,1|1,0,0]=3 4411 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,1|1,0,0]=3 4412 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,1|1,0,1]=4 4413 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,1|1,0,1]=4 4414 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,1,0,0,0,1|0,0,1]=3 4415 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,1|0,0,0]=2 4416 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,1|0,0,0]=2 4417 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,1,0,0,0,1|0,0,1]=3 4418 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,1|0,0,0]=2 4419 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,1|0,0,0]=2 4420 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,1|0,0,0]=2 4421 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,1|0,0,0]=2 4422 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,1,0,0,0,1|0,0,1]=3 4423 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,1,0,0,0,1|0,0,1]=3 4424 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,1|0,0,0]=2 4425 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,1|0,0,0]=2 4426 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,1|0,0,0]=2 4427 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,1|0,0,0]=2 4428 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,1|0,0,0]=2 4429 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,1,0,0,0,1|1,0,1]=4 4430 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,1,0,0,0,1|1,0,1]=4 4431 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,1|0,0,0]=2 4432 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,1|0,0,0]=2 4433 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,1|1,0,1]=4 4434 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,1|1,0,1]=4 4435 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,1|1,0,1]=4 4436 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,1|1,0,1]=4 4437 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,1|1,0,1]=4 4438 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,1|1,0,1]=4 4439 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,1,0,0,0,1|1,0,1]=4 4440 B10R0.108 CNNC(=O)NCC(C)CO 273464a_100000744482_100016993582 [0,1,0,0,0,1|2,0,0]=4 4441 B10R0.108 CNNC(=O)NCC(C)CO 512a_100000744482_100016993582 [0,1,0,0,0,1|2,0,0]=4 4442 B10R0.108 CNNC(=O)NCC(C)CO 512a_100016993582_100000744482 [0,1,0,0,0,1|2,0,0]=4 4443 B10R0.108 CNNC(=O)NC[C@@H](C)OC 273464a_100020591295_100016993582 [0,1,0,0,0,1|2,0,0]=4 4444 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100016993582_100020591295 [0,1,0,0,0,1|2,0,0]=4 4445 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100020591295_100016993582 [0,1,0,0,0,1|2,0,0]=4 4446 B10R0.108 COC(C)SCC(=O)NCO 62a_100000185155_100009879195 [0,1,0,0,0,1|2,0,0]=4 4447 B10R0.108 COC(C)SCC(=O)NCO 62a_100009879195_100000185155 [0,1,0,0,0,1|2,0,0]=4 4448 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [0,1,0,0,0,1|2,0,0]=4 4449 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [0,1,0,0,0,1|2,0,0]=4 4450 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 4451 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 4452 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 4453 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,1,0,0,0,1|2,0,0]=4 4454 B10R0.108 CO[C@H](C)CNC(=O)CCO 240690a_100020591295_100011216618 [0,1,0,0,0,1|2,0,0]=4 4455 B10R0.108 CO[C@H](C)CNC(=O)CSC 11a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 4456 B10R0.108 CO[C@H](C)CNC(=O)CSC 1626a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 4457 B10R0.108 CO[C@H](C)CNC(=O)CSC 240690a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 4458 B10R0.108 CO[C@H](C)CNC(=O)CSC 527a_100020591295_100000184570 [0,1,0,0,0,1|2,0,0]=4 4459 B10R0.108 CSCC(=O)NCC(C)CO 240690a_100000744482_100000184570 [0,1,0,0,0,1|2,0,0]=4 4460 B10R0.108 CSCC(=O)NCC(C)CO 527a_100000744482_100000184570 [0,1,0,0,0,1|2,0,0]=4 4461 B10R0.108 C[C@H](CO)NCC(=O)NCO 2230a_100000737577_100000185155 [0,1,0,0,0,1|2,0,0]=4 4462 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100000185155_100016084084 [0,1,0,0,0,1|2,0,0]=4 4463 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100016084084_100000185155 [0,1,0,0,0,1|2,0,0]=4 4464 B10R0.109 C=COC(=O)CNC(C)(C)C 2230a_100000715429_100000036128 [0,1,0,0,0,1|0,0,2]=4 4465 B10R0.109 C=COC(=O)COC(C)(C)C 34a_100015890283_100000036128 [0,1,0,0,0,1|0,0,2]=4 4466 B10R0.109 C=COC(=O)CSC(C)(C)C 62a_100000036128_100000211941 [0,1,0,0,0,1|0,0,2]=4 4467 B10R0.109 C=COC(=O)CSC(C)(C)C 62a_100000211941_100000036128 [0,1,0,0,0,1|0,0,2]=4 4468 B10R0.109 CC#CC(=O)CCC(C)(C)C 1458a_100000763181_100000755188 [0,1,0,0,0,1|1,0,1]=4 4469 B10R0.109 CC(C)(C)CCC(=O)CCF 1458a_100000757465_100011217306 [0,1,0,0,0,1|2,0,0]=4 4470 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100000757465_100000211926 [0,1,0,0,0,1|2,0,0]=4 4471 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100011216618_100000755188 [0,1,0,0,0,1|2,0,0]=4 4472 B10R0.109 CC(C)(C)CNC(=O)CCO 240690a_100000743828_100011216618 [0,1,0,0,0,1|2,0,0]=4 4473 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200010402935_200025704644 [0,1,0,0,0,1|2,0,0]=4 4474 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200025704644_200010402935 [0,1,0,0,0,1|2,0,0]=4 4475 B10R0.109 CC(C)(C)NCC(=O)NCO 2230a_100000715429_100000185155 [0,1,0,0,0,1|2,0,0]=4 4476 B10R0.109 CC(C)(C)OCC(=O)CCF 1458a_100000686494_100011217306 [0,1,0,0,0,1|2,0,0]=4 4477 B10R0.109 CC(C)(C)OCC(=O)CCO 1458a_100000686494_100000211926 [0,1,0,0,0,1|2,0,0]=4 4478 B10R0.109 CC(C)(C)OCC(=O)NCO 34a_100015890283_100000185155 [0,1,0,0,0,1|2,0,0]=4 4479 B10R0.109 CC(C)(C)OCC(=O)NCO 7a_100015890283_100000185155 [0,1,0,0,0,1|2,0,0]=4 4480 B10R0.109 CC(C)(C)SCC(=O)NCO 62a_100000185155_100000211941 [0,1,0,0,0,1|2,0,0]=4 4481 B10R0.109 CC(C)(C)SCC(=O)NCO 62a_100000211941_100000185155 [0,1,0,0,0,1|2,0,0]=4 4482 B10R0.109 CC(C)(F)CNC(=O)CCO 240690a_100020643315_100011216618 [0,1,0,0,0,1|2,0,0]=4 4483 B10R0.109 CC(C)(O)CNC(=O)CCO 240690a_100000751335_100011216618 [0,1,0,0,0,1|2,0,0]=4 4484 B10R0.109 CC=CC(=O)CCC(C)(C)C 1458a_100000210699_100000755188 [0,1,0,0,0,1|1,0,1]=4 4485 B10R0.109 CC=CC(=O)NCC(C)(C)C 11a_100000743828_100000210699 [0,1,0,0,0,1|1,0,1]=4 4486 B10R0.109 CC=CC(=O)NCC(C)(C)C 1626a_100000743828_100000210699 [0,1,0,0,0,1|1,0,1]=4 4487 B10R0.109 CC=CC(=O)NCC(C)(C)C 240690a_100000743828_100000210699 [0,1,0,0,0,1|1,0,1]=4 4488 B10R0.109 CC=CC(=O)NCC(C)(C)F 11a_100020643315_100000210699 [0,1,0,0,0,1|1,0,1]=4 4489 B10R0.109 CC=CC(=O)NCC(C)(C)F 1626a_100020643315_100000210699 [0,1,0,0,0,1|1,0,1]=4 4490 B10R0.109 CC=CC(=O)NCC(C)(C)F 240690a_100020643315_100000210699 [0,1,0,0,0,1|1,0,1]=4 4491 B10R0.109 CC=CC(=O)NCC(C)(C)O 1626a_100000751335_100000210699 [0,1,0,0,0,1|1,0,1]=4 4492 B10R0.109 CC=CC(=O)NCC(C)(C)O 240690a_100000751335_100000210699 [0,1,0,0,0,1|1,0,1]=4 4493 B10R0.109 CCCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210303 [0,1,0,0,0,1|1,0,1]=4 4494 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,1,0,0,0,1|1,0,0]=3 4495 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,1,0,0,0,1|1,0,0]=3 4496 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,1,0,0,0,1|2,0,0]=4 4497 B10R0.109 CCCC(=O)CC[N+](C)(C)C 1458a_100000211992_100000085578 [0,1,0,0,0,1|2,0,0]=4 4498 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100000211992_200000733723 [0,1,0,0,0,1|1,1,0]=4 4499 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210303 [0,1,0,0,0,1|1,1,0]=4 4500 B10R0.109 CCCC(=O)CNC(C)(C)C 2230a_100000715429_100000747444 [0,1,0,0,0,1|1,0,0]=3 4501 B10R0.109 CCCC(=O)COC(C)(C)C 1458a_100000686494_100000210303 [0,1,0,0,0,1|1,0,0]=3 4502 B10R0.109 CCCC(=O)COC(C)(C)C 7a_100015890283_100000747444 [0,1,0,0,0,1|1,0,0]=3 4503 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000211941_100000747444 [0,1,0,0,0,1|1,0,0]=3 4504 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000747444_100000211941 [0,1,0,0,0,1|1,0,0]=3 4505 B10R0.109 CCCC(=O)NCC(C)(C)C 11a_100000743828_100000211992 [0,1,0,0,0,1|1,0,0]=3 4506 B10R0.109 CCCC(=O)NCC(C)(C)C 1626a_100000743828_100000211992 [0,1,0,0,0,1|1,0,0]=3 4507 B10R0.109 CCCC(=O)NCC(C)(C)C 240690a_100000743828_100000211992 [0,1,0,0,0,1|1,0,0]=3 4508 B10R0.109 CCCC(=O)NCC(C)(C)C 527a_100000743828_100000211992 [0,1,0,0,0,1|1,0,0]=3 4509 B10R0.109 CCCC(=O)NCC(C)(C)F 11a_100020643315_100000211992 [0,1,0,0,0,1|1,0,0]=3 4510 B10R0.109 CCCC(=O)NCC(C)(C)F 1626a_100020643315_100000211992 [0,1,0,0,0,1|1,0,0]=3 4511 B10R0.109 CCCC(=O)NCC(C)(C)F 240690a_100020643315_100000211992 [0,1,0,0,0,1|1,0,0]=3 4512 B10R0.109 CCCC(=O)NCC(C)(C)F 527a_100020643315_100000211992 [0,1,0,0,0,1|1,0,0]=3 4513 B10R0.109 CCCC(=O)NCC(C)(C)O 1626a_100000751335_100000211992 [0,1,0,0,0,1|1,0,0]=3 4514 B10R0.109 CCCC(=O)NCC(C)(C)O 240690a_100000751335_100000211992 [0,1,0,0,0,1|1,0,0]=3 4515 B10R0.109 CCCC(=O)NCC(C)(C)O 527a_100000751335_100000211992 [0,1,0,0,0,1|1,0,0]=3 4516 B10R0.109 CCCC(=O)NCC(C)(F)F 11a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 4517 B10R0.109 CCCC(=O)NCC(C)(F)F 1626a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 4518 B10R0.109 CCCC(=O)NCC(C)(F)F 240690a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 4519 B10R0.109 CCCC(=O)NCC(C)(F)F 527a_100000731000_100000211992 [0,1,0,0,0,1|2,0,0]=4 4520 B10R0.109 CCCC(=O)NC[Si](C)(C)C 11a_102516607284_100000211992 [0,1,0,0,0,1|1,1,0]=4 4521 B10R0.109 CCCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000211992 [0,1,0,0,0,1|1,1,0]=4 4522 B10R0.109 CCCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000211992 [0,1,0,0,0,1|1,1,0]=4 4523 B10R0.109 CCCC(=O)NC[Si](C)(C)C 527a_102516607284_100000211992 [0,1,0,0,0,1|1,1,0]=4 4524 B10R0.109 CCCC(=O)NNC(C)(C)C 22a_100000725372_100000211992 [0,1,0,0,0,1|2,0,0]=4 4525 B10R0.109 CCNC(=O)C#CC(C)(C)C 240690a_100015525214_100011966651 [0,1,0,0,0,1|1,0,1]=4 4526 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,1,0,0,0,1|1,0,0]=3 4527 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,1,0,0,0,1|1,0,0]=3 4528 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,1,0,0,0,1|1,0,0]=3 4529 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,1,0,0,0,1|2,0,0]=4 4530 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,1,0,0,0,1|2,0,0]=4 4531 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,1,0,0,0,1|2,0,0]=4 4532 B10R0.109 CCNC(=O)CC[Si](C)(C)C 240690a_100015525214_100011215282 [0,1,0,0,0,1|1,1,0]=4 4533 B10R0.109 CCNC(=O)CC[Si](C)(C)C 527a_100015525214_100011215282 [0,1,0,0,0,1|1,1,0]=4 4534 B10R0.109 CCNC(=O)CNC(C)(C)C 2230a_100000715429_100000183381 [0,1,0,0,0,1|1,0,0]=3 4535 B10R0.109 CCNC(=O)COC(C)(C)C 11a_100015525214_100000686494 [0,1,0,0,0,1|1,0,0]=3 4536 B10R0.109 CCNC(=O)COC(C)(C)C 240690a_100015525214_100000686494 [0,1,0,0,0,1|1,0,0]=3 4537 B10R0.109 CCNC(=O)COC(C)(C)C 34a_100015890283_100000183381 [0,1,0,0,0,1|1,0,0]=3 4538 B10R0.109 CCNC(=O)COC(C)(C)C 527a_100015525214_100000686494 [0,1,0,0,0,1|1,0,0]=3 4539 B10R0.109 CCNC(=O)COC(C)(C)C 7a_100015890283_100000183381 [0,1,0,0,0,1|1,0,0]=3 4540 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000183381_100000211941 [0,1,0,0,0,1|1,0,0]=3 4541 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000211941_100000183381 [0,1,0,0,0,1|1,0,0]=3 4542 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100000743828_100015525214 [0,1,0,0,0,1|1,0,0]=3 4543 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100015525214_100000743828 [0,1,0,0,0,1|1,0,0]=3 4544 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100000743828_100015525214 [0,1,0,0,0,1|1,0,0]=3 4545 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100015525214_100000743828 [0,1,0,0,0,1|1,0,0]=3 4546 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100000743828_100015525214 [0,1,0,0,0,1|1,0,0]=3 4547 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100015525214_100000743828 [0,1,0,0,0,1|1,0,0]=3 4548 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100015525214_100020643315 [0,1,0,0,0,1|1,0,0]=3 4549 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100020643315_100015525214 [0,1,0,0,0,1|1,0,0]=3 4550 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100015525214_100020643315 [0,1,0,0,0,1|1,0,0]=3 4551 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100020643315_100015525214 [0,1,0,0,0,1|1,0,0]=3 4552 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100015525214_100020643315 [0,1,0,0,0,1|1,0,0]=3 4553 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100020643315_100015525214 [0,1,0,0,0,1|1,0,0]=3 4554 B10R0.109 CCNC(=O)NCC(C)(C)O 2708a_100015525214_100000751335 [0,1,0,0,0,1|1,0,0]=3 4555 B10R0.109 CCNC(=O)NCC(C)(C)O 273464a_100015525214_100000751335 [0,1,0,0,0,1|1,0,0]=3 4556 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100000751335_100015525214 [0,1,0,0,0,1|1,0,0]=3 4557 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100015525214_100000751335 [0,1,0,0,0,1|1,0,0]=3 4558 B10R0.109 CCNC(=O)NCC(C)(F)F 2708a_100015525214_100000731000 [0,1,0,0,0,1|2,0,0]=4 4559 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100000731000_100015525214 [0,1,0,0,0,1|2,0,0]=4 4560 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100015525214_100000731000 [0,1,0,0,0,1|2,0,0]=4 4561 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100000731000_100015525214 [0,1,0,0,0,1|2,0,0]=4 4562 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100015525214_100000731000 [0,1,0,0,0,1|2,0,0]=4 4563 B10R0.109 CCNC(=O)NC[Si](C)(C)C 2708a_100015525214_102516607284 [0,1,0,0,0,1|1,1,0]=4 4564 B10R0.109 CCNC(=O)NC[Si](C)(C)C 2708a_102516607284_100015525214 [0,1,0,0,0,1|1,1,0]=4 4565 B10R0.109 CCNC(=O)NC[Si](C)(C)C 273464a_100015525214_102516607284 [0,1,0,0,0,1|1,1,0]=4 4566 B10R0.109 CCNC(=O)NC[Si](C)(C)C 273464a_102516607284_100015525214 [0,1,0,0,0,1|1,1,0]=4 4567 B10R0.109 CCNC(=O)NC[Si](C)(C)C 512a_100015525214_102516607284 [0,1,0,0,0,1|1,1,0]=4 4568 B10R0.109 CCNC(=O)NC[Si](C)(C)C 512a_102516607284_100015525214 [0,1,0,0,0,1|1,1,0]=4 4569 B10R0.109 CCNC(=O)NNC(C)(C)C 273464a_100015525214_100000725372 [0,1,0,0,0,1|2,0,0]=4 4570 B10R0.109 CCNC(=O)NNC(C)(C)C 512a_100000725372_100015525214 [0,1,0,0,0,1|2,0,0]=4 4571 B10R0.109 CCNC(=O)NNC(C)(C)C 512a_100015525214_100000725372 [0,1,0,0,0,1|2,0,0]=4 4572 B10R0.109 CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000188475 [0,1,0,0,0,1|0,0,0]=2 4573 B10R0.109 CCOC(=O)COC(C)(C)C 34a_100015890283_100000188475 [0,1,0,0,0,1|0,0,0]=2 4574 B10R0.109 CCOC(=O)COC(C)(C)C 7a_100015890283_100000188475 [0,1,0,0,0,1|0,0,0]=2 4575 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000188475_100000211941 [0,1,0,0,0,1|0,0,0]=2 4576 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000211941_100000188475 [0,1,0,0,0,1|0,0,0]=2 4577 B10R0.109 CCOC(=O)CSC(F)(F)F 62a_100000188475_200103152311 [0,1,0,0,0,1|2,0,0]=4 4578 B10R0.109 CCOC(=O)CSC(F)(F)F 62a_200000243211_100000188475 [0,1,0,0,0,1|2,0,0]=4 4579 B10R0.109 CCOC(C)COC(C)(C)C 7a_100011215624_100000210202 [0,1,0,0,0,1|1,0,1]=4 4580 B10R0.109 CNCC(=O)OCC(C)(C)C 2230a_106832991635_200010402935 [0,1,0,0,0,1|2,0,0]=4 4581 B10R0.109 CNCC(=O)OCC(C)(C)C 34a_100102657272_200010402935 [0,1,0,0,0,1|2,0,0]=4 4582 B10R0.109 CNCC(=O)OCC(C)(C)C 7a_106832991635_200010402935 [0,1,0,0,0,1|2,0,0]=4 4583 B10R0.109 CNNC(=O)CCC(C)(C)C 22a_100016993582_100000757465 [0,1,0,0,0,1|2,0,0]=4 4584 B10R0.109 CNNC(=O)COC(C)(C)C 22a_100016993582_100000686494 [0,1,0,0,0,1|2,0,0]=4 4585 B10R0.109 CNNC(=O)NCC(C)(C)C 273464a_100000743828_100016993582 [0,1,0,0,0,1|2,0,0]=4 4586 B10R0.109 CNNC(=O)NCC(C)(C)C 512a_100000743828_100016993582 [0,1,0,0,0,1|2,0,0]=4 4587 B10R0.109 CNNC(=O)NCC(C)(C)C 512a_100016993582_100000743828 [0,1,0,0,0,1|2,0,0]=4 4588 B10R0.109 CNNC(=O)NCC(C)(C)F 273464a_100020643315_100016993582 [0,1,0,0,0,1|2,0,0]=4 4589 B10R0.109 CNNC(=O)NCC(C)(C)F 512a_100016993582_100020643315 [0,1,0,0,0,1|2,0,0]=4 4590 B10R0.109 CNNC(=O)NCC(C)(C)F 512a_100020643315_100016993582 [0,1,0,0,0,1|2,0,0]=4 4591 B10R0.109 CNNC(=O)NCC(C)(C)O 512a_100000751335_100016993582 [0,1,0,0,0,1|2,0,0]=4 4592 B10R0.109 CNNC(=O)NCC(C)(C)O 512a_100016993582_100000751335 [0,1,0,0,0,1|2,0,0]=4 4593 B10R0.109 COCC(=O)CCC(C)(C)C 1458a_100000210968_100000755188 [0,1,0,0,0,1|2,0,0]=4 4594 B10R0.109 COCC(=O)NCC(C)(C)C 11a_100000743828_100000210968 [0,1,0,0,0,1|2,0,0]=4 4595 B10R0.109 COCC(=O)NCC(C)(C)C 1626a_100000743828_100000210968 [0,1,0,0,0,1|2,0,0]=4 4596 B10R0.109 COCC(=O)NCC(C)(C)C 240690a_100000743828_100000210968 [0,1,0,0,0,1|2,0,0]=4 4597 B10R0.109 COCC(=O)NCC(C)(C)C 527a_100000743828_100000210968 [0,1,0,0,0,1|2,0,0]=4 4598 B10R0.109 COCC(=O)NCC(C)(C)F 11a_100020643315_100000210968 [0,1,0,0,0,1|2,0,0]=4 4599 B10R0.109 COCC(=O)NCC(C)(C)F 1626a_100020643315_100000210968 [0,1,0,0,0,1|2,0,0]=4 4600 B10R0.109 COCC(=O)NCC(C)(C)F 240690a_100020643315_100000210968 [0,1,0,0,0,1|2,0,0]=4 4601 B10R0.109 COCC(=O)NCC(C)(C)F 527a_100020643315_100000210968 [0,1,0,0,0,1|2,0,0]=4 4602 B10R0.109 COCC(=O)NCC(C)(C)O 1626a_100000751335_100000210968 [0,1,0,0,0,1|2,0,0]=4 4603 B10R0.109 COCC(=O)NCC(C)(C)O 240690a_100000751335_100000210968 [0,1,0,0,0,1|2,0,0]=4 4604 B10R0.109 COCC(=O)NCC(C)(C)O 527a_100000751335_100000210968 [0,1,0,0,0,1|2,0,0]=4 4605 B10R0.109 COCC(=O)OCC(C)(C)C 34a_100138415774_200010402935 [0,1,0,0,0,1|2,0,0]=4 4606 B10R0.109 CSCC(=O)CCC(C)(C)C 1458a_100000184570_100000755188 [0,1,0,0,0,1|2,0,0]=4 4607 B10R0.109 CSCC(=O)NCC(C)(C)C 11a_100000743828_100000184570 [0,1,0,0,0,1|2,0,0]=4 4608 B10R0.109 CSCC(=O)NCC(C)(C)C 1626a_100000743828_100000184570 [0,1,0,0,0,1|2,0,0]=4 4609 B10R0.109 CSCC(=O)NCC(C)(C)C 240690a_100000743828_100000184570 [0,1,0,0,0,1|2,0,0]=4 4610 B10R0.109 CSCC(=O)NCC(C)(C)C 527a_100000743828_100000184570 [0,1,0,0,0,1|2,0,0]=4 4611 B10R0.109 CSCC(=O)NCC(C)(C)F 11a_100020643315_100000184570 [0,1,0,0,0,1|2,0,0]=4 4612 B10R0.109 CSCC(=O)NCC(C)(C)F 1626a_100020643315_100000184570 [0,1,0,0,0,1|2,0,0]=4 4613 B10R0.109 CSCC(=O)NCC(C)(C)F 240690a_100020643315_100000184570 [0,1,0,0,0,1|2,0,0]=4 4614 B10R0.109 CSCC(=O)NCC(C)(C)F 527a_100020643315_100000184570 [0,1,0,0,0,1|2,0,0]=4 4615 B10R0.109 CSCC(=O)NCC(C)(C)O 1626a_100000751335_100000184570 [0,1,0,0,0,1|2,0,0]=4 4616 B10R0.109 CSCC(=O)NCC(C)(C)O 240690a_100000751335_100000184570 [0,1,0,0,0,1|2,0,0]=4 4617 B10R0.109 CSCC(=O)NCC(C)(C)O 527a_100000751335_100000184570 [0,1,0,0,0,1|2,0,0]=4 4618 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200000210301_200010402935 [0,1,0,0,0,1|2,0,0]=4 4619 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200010402935_200000210301 [0,1,0,0,0,1|2,0,0]=4 4620 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,2,0,0,0,0|1,0,0]=3 4621 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,2,0,0,0,0|1,0,0]=3 4622 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,2,0,0,0,0|2,0,0]=4 4623 B10R0.6 C#CCCCC(=O)CN(C)C 1458a_100000750896_100000731252 [0,2,0,0,0,0|2,0,0]=4 4624 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,2,0,0,0,0|2,0,0]=4 4625 B10R0.6 C#CCCCC(=O)C[S+](C)C 1458a_200159257847_100000731252 [0,2,0,0,0,0|2,0,0]=4 4626 B10R0.6 C#CCCCC(=O)NC(C)C 11a_100138425928_100000690238 [0,2,0,0,0,0|2,0,0]=4 4627 B10R0.6 C#CCCCC(=O)NC(C)C 1626a_100138425928_100000690238 [0,2,0,0,0,0|2,0,0]=4 4628 B10R0.6 C#CCCCC(=O)NC(C)C 240690a_100138425928_100000690238 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.6 C#CCCCC(=O)NC(C)C 527a_100138425928_100000690238 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.6 C#CCCNC(=O)CC(C)C 11a_100000755551_100000210554 [0,2,0,0,0,0|1,0,0]=3 4631 B10R0.6 C#CCCNC(=O)CC(C)C 1626a_100000755551_100000210554 [0,2,0,0,0,0|1,0,0]=3 4632 B10R0.6 C#CCCNC(=O)CC(C)C 240690a_100000755551_100000210554 [0,2,0,0,0,0|1,0,0]=3 4633 B10R0.6 C#CCCNC(=O)CC(C)C 527a_100000755551_100000210554 [0,2,0,0,0,0|1,0,0]=3 4634 B10R0.6 C#CCCNC(=O)CN(C)C 11a_100000755551_100000750896 [0,2,0,0,0,0|2,0,0]=4 4635 B10R0.6 C#CCCNC(=O)CN(C)C 240690a_100000755551_100000750896 [0,2,0,0,0,0|2,0,0]=4 4636 B10R0.6 C#CCCNC(=O)CN(C)C 527a_100000755551_100000750896 [0,2,0,0,0,0|2,0,0]=4 4637 B10R0.6 C#CCCNC(=O)C[C@@H](C)O 240690a_100000755551_100011933948 [0,2,0,0,0,0|2,0,0]=4 4638 B10R0.6 C#CCCNC(=O)C[S+](C)C 11a_100000755551_200159257847 [0,2,0,0,0,0|2,0,0]=4 4639 B10R0.6 C#CCCNC(=O)C[S+](C)C 1626a_100000755551_200159257847 [0,2,0,0,0,0|2,0,0]=4 4640 B10R0.6 C#CCCNC(=O)C[S+](C)C 240690a_100000755551_200159257847 [0,2,0,0,0,0|2,0,0]=4 4641 B10R0.6 C#CCCNC(=O)C[S+](C)C 527a_100000755551_200159257847 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100000755551_100138425928 [0,2,0,0,0,0|2,0,0]=4 4643 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100138425928_100000755551 [0,2,0,0,0,0|2,0,0]=4 4644 B10R0.6 C#CCCNC(=O)NC(C)C 273464a_100138425928_100000755551 [0,2,0,0,0,0|2,0,0]=4 4645 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100000755551_100138425928 [0,2,0,0,0,0|2,0,0]=4 4646 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100138425928_100000755551 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.6 C#CCCOC(C)CC(C)C 34a_100000211805_100000688953 [0,2,0,0,0,0|1,0,1]=4 4648 B10R0.6 C#CCCOC(C)CC(C)C 34a_100011215631_100000731052 [0,2,0,0,0,0|1,0,1]=4 4649 B10R0.6 C#CCCOC(C)CC(C)C 7a_100000211805_100000688953 [0,2,0,0,0,0|1,0,1]=4 4650 B10R0.6 C#CCOCC(=O)CC(C)C 1458a_100011251226_100000210624 [0,2,0,0,0,0|0,0,1]=3 4651 B10R0.6 C#CCOCC(=O)CC(C)O 1458a_100011251226_100011218427 [0,2,0,0,0,0|1,0,1]=4 4652 B10R0.6 C#CCOCC(=O)NC(C)C 11a_100138425928_100011251226 [0,2,0,0,0,0|1,0,1]=4 4653 B10R0.6 C#CCOCC(=O)NC(C)C 1626a_100138425928_100011251226 [0,2,0,0,0,0|1,0,1]=4 4654 B10R0.6 C#CCOCC(=O)NC(C)C 34a_100000210247_100000183996 [0,2,0,0,0,0|1,0,1]=4 4655 B10R0.6 C#CCOCC(=O)NC(C)C 527a_100138425928_100011251226 [0,2,0,0,0,0|1,0,1]=4 4656 B10R0.6 C#CCOCC(=O)OC(C)C 34a_100000210247_100011215430 [0,2,0,0,0,0|1,0,1]=4 4657 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,2,0,0,0,0|1,0,1]=4 4658 B10R0.6 C/C=C/COC(C)CC(C)C 34a_100000211805_100102629194 [0,2,0,0,0,0|1,0,1]=4 4659 B10R0.6 C/C=C/COC(C)CC(C)C 34a_100016270725_100000731052 [0,2,0,0,0,0|1,0,1]=4 4660 B10R0.6 C/C=C/COC(C)CC(C)C 7a_100000211805_100102629194 [0,2,0,0,0,0|1,0,1]=4 4661 B10R0.6 C=C(C)CC(=O)C=COCC 1458a_100016266692_100000748629 [0,2,0,0,0,0|0,0,2]=4 4662 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|0,0,2]=4 4663 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|0,0,2]=4 4664 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,2,0,0,0,0|0,0,2]=4 4665 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,2,0,0,0,0|1,0,0]=3 4666 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,2,0,0,0,0|1,0,0]=3 4667 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,2,0,0,0,0|2,0,0]=4 4668 B10R0.6 C=CCCCC(=O)CN(C)C 1458a_100000750896_100000757094 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,2,0,0,0,0|2,0,0]=4 4670 B10R0.6 C=CCCCC(=O)C[S+](C)C 1458a_200159257847_100000757094 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.6 C=CCCCC(=O)NC(C)C 11a_100138425928_100000766728 [0,2,0,0,0,0|2,0,0]=4 4672 B10R0.6 C=CCCCC(=O)NC(C)C 1626a_100138425928_100000766728 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.6 C=CCCCC(=O)NC(C)C 240690a_100138425928_100000766728 [0,2,0,0,0,0|2,0,0]=4 4674 B10R0.6 C=CCCCC(=O)NC(C)C 527a_100138425928_100000766728 [0,2,0,0,0,0|2,0,0]=4 4675 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 4676 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 4677 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 4678 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,2,0,0,0,0|1,0,0]=3 4679 B10R0.6 C=CCCNC(=O)CN(C)C 11a_100015191253_100000750896 [0,2,0,0,0,0|2,0,0]=4 4680 B10R0.6 C=CCCNC(=O)CN(C)C 240690a_100015191253_100000750896 [0,2,0,0,0,0|2,0,0]=4 4681 B10R0.6 C=CCCNC(=O)CN(C)C 527a_100015191253_100000750896 [0,2,0,0,0,0|2,0,0]=4 4682 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,2,0,0,0,0|2,0,0]=4 4683 B10R0.6 C=CCCNC(=O)C[S+](C)C 11a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 4684 B10R0.6 C=CCCNC(=O)C[S+](C)C 1626a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 4685 B10R0.6 C=CCCNC(=O)C[S+](C)C 240690a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 4686 B10R0.6 C=CCCNC(=O)C[S+](C)C 527a_100015191253_200159257847 [0,2,0,0,0,0|2,0,0]=4 4687 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100015191253_100138425928 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100138425928_100015191253 [0,2,0,0,0,0|2,0,0]=4 4689 B10R0.6 C=CCCNC(=O)NC(C)C 273464a_100138425928_100015191253 [0,2,0,0,0,0|2,0,0]=4 4690 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100015191253_100138425928 [0,2,0,0,0,0|2,0,0]=4 4691 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100138425928_100015191253 [0,2,0,0,0,0|2,0,0]=4 4692 B10R0.6 C=CCCOC(C)CC(C)C 34a_100000211805_100000754431 [0,2,0,0,0,0|1,0,1]=4 4693 B10R0.6 C=CCCOC(C)CC(C)C 34a_100011205117_100000731052 [0,2,0,0,0,0|1,0,1]=4 4694 B10R0.6 C=CCCOC(C)CC(C)C 7a_100000211805_100000754431 [0,2,0,0,0,0|1,0,1]=4 4695 B10R0.6 C=CCNNC(=O)CC(C)C 22a_100020588587_100000210554 [0,2,0,0,0,0|1,0,1]=4 4696 B10R0.6 C=CCOCC(=O)NC(C)C 34a_200000210373_100000183996 [0,2,0,0,0,0|1,0,1]=4 4697 B10R0.6 C=CCOCC(=O)OC(C)C 34a_200000210373_100011215430 [0,2,0,0,0,0|1,0,1]=4 4698 B10R0.6 C=CCSCC(=O)CC(C)C 1458a_100000230395_100000210624 [0,2,0,0,0,0|0,1,1]=4 4699 B10R0.6 C=COCCC(=O)CC(C)C 1458a_100000210554_100000039644 [0,2,0,0,0,0|0,0,2]=4 4700 B10R0.6 CC#CCNC(=O)CC(C)C 11a_100000685387_100000210554 [0,2,0,0,0,0|1,0,0]=3 4701 B10R0.6 CC#CCNC(=O)CC(C)C 1626a_100000685387_100000210554 [0,2,0,0,0,0|1,0,0]=3 4702 B10R0.6 CC#CCNC(=O)CC(C)C 527a_100000685387_100000210554 [0,2,0,0,0,0|1,0,0]=3 4703 B10R0.6 CC#CCNC(=O)CN(C)C 11a_100000685387_100000750896 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.6 CC#CCNC(=O)CN(C)C 527a_100000685387_100000750896 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.6 CC#CCNC(=O)C[S+](C)C 11a_100000685387_200159257847 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.6 CC#CCNC(=O)C[S+](C)C 1626a_100000685387_200159257847 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.6 CC#CCNC(=O)C[S+](C)C 527a_100000685387_200159257847 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.6 CC#CCNC(=O)NC(C)C 2708a_100138425928_100000685387 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.6 CC#CCNC(=O)NC(C)C 273464a_100138425928_100000685387 [0,2,0,0,0,0|2,0,0]=4 4710 B10R0.6 CC#CCNC(=O)NC(C)C 512a_100000685387_100138425928 [0,2,0,0,0,0|2,0,0]=4 4711 B10R0.6 CC#CCNC(=O)NC(C)C 512a_100138425928_100000685387 [0,2,0,0,0,0|2,0,0]=4 4712 B10R0.6 CC#CCOC(C)CC(C)C 34a_100000211805_100000748600 [0,2,0,0,0,0|1,0,1]=4 4713 B10R0.6 CC#CCOC(C)CC(C)C 34a_100000761923_100000731052 [0,2,0,0,0,0|1,0,1]=4 4714 B10R0.6 CC#CCOC(C)CC(C)C 7a_100000211805_100000748600 [0,2,0,0,0,0|1,0,1]=4 4715 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|1,0,1]=4 4716 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|1,0,1]=4 4717 B10R0.6 CC(C)CC(=O)CC#CCO 1458a_100000210554_200000047223 [0,2,0,0,0,0|1,0,1]=4 4718 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,2,0,0,0,0|1,0,0]=3 4719 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,2,0,0,0,0|1,0,0]=3 4720 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|1,0,0]=3 4721 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|1,0,0]=3 4722 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|1,0,0]=3 4723 B10R0.6 CC(C)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210624 [0,2,0,0,0,0|2,0,0]=4 4724 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,2,0,0,0,0|0,0,0]=2 4725 B10R0.6 CC(C)CC(=O)CSCC#N 1458a_100000150266_100000210624 [0,2,0,0,0,0|0,1,1]=4 4726 B10R0.6 CC(C)CC(=O)NCCC#N 11a_100000720768_100000210554 [0,2,0,0,0,0|1,0,0]=3 4727 B10R0.6 CC(C)CC(=O)NCCC#N 1626a_100000720768_100000210554 [0,2,0,0,0,0|1,0,0]=3 4728 B10R0.6 CC(C)CC(=O)NCCC#N 240690a_100000720768_100000210554 [0,2,0,0,0,0|1,0,0]=3 4729 B10R0.6 CC(C)CC(=O)NCCC#N 527a_100000720768_100000210554 [0,2,0,0,0,0|1,0,0]=3 4730 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 4731 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 4732 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 4733 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 4734 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,2,0,0,0,0|1,0,0]=3 4735 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,2,0,0,0,0|1,0,0]=3 4736 B10R0.6 CC(C)CC(=O)NNCCO 22a_100000210001_100000210554 [0,2,0,0,0,0|1,0,0]=3 4737 B10R0.6 CC(C)CC(C)OCCC#N 7a_100000211805_100000184422 [0,2,0,0,0,0|1,0,1]=4 4738 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [0,2,0,0,0,0|1,0,1]=4 4739 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [0,2,0,0,0,0|1,0,1]=4 4740 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [0,2,0,0,0,0|1,0,1]=4 4741 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [0,2,0,0,0,0|1,0,1]=4 4742 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [0,2,0,0,0,0|1,0,1]=4 4743 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [0,2,0,0,0,0|1,0,1]=4 4744 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [0,2,0,0,0,0|1,0,1]=4 4745 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [0,2,0,0,0,0|1,0,1]=4 4746 B10R0.6 CC(C)CC(C)OCCON 34a_100000700252_100000731052 [0,2,0,0,0,0|1,0,1]=4 4747 B10R0.6 CC(C)C[C@H](N)COCCF 34a_100011830311_100011217306 [0,2,0,0,0,0|1,0,1]=4 4748 B10R0.6 CC(C)C[C@H](N)COCCO 34a_100011830311_100000211926 [0,2,0,0,0,0|1,0,1]=4 4749 B10R0.6 CC(C)NC(=O)CCCC#N 11a_100138425928_100000075515 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.6 CC(C)NC(=O)CCCC#N 1626a_100138425928_100000075515 [0,2,0,0,0,0|2,0,0]=4 4751 B10R0.6 CC(C)NC(=O)CCCC#N 240690a_100138425928_100000075515 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.6 CC(C)NC(=O)CCCC#N 527a_100138425928_100000075515 [0,2,0,0,0,0|2,0,0]=4 4753 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.6 CC(C)NC(=O)CCSCF 62a_100000737564_100015361967 [0,2,0,0,0,0|2,0,0]=4 4755 B10R0.6 CC(C)NC(=O)CCSCF 62a_100015361967_100000737564 [0,2,0,0,0,0|2,0,0]=4 4756 B10R0.6 CC(C)NC(=O)CNCCF 2230a_100000168517_100011217306 [0,2,0,0,0,0|2,0,0]=4 4757 B10R0.6 CC(C)NC(=O)CNCCF 34a_100000724931_100000183996 [0,2,0,0,0,0|2,0,0]=4 4758 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100000168517_100000211926 [0,2,0,0,0,0|2,0,0]=4 4759 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100016997473_100000183996 [0,2,0,0,0,0|2,0,0]=4 4760 B10R0.6 CC(C)NC(=O)CNCCO 34a_100016990907_100000183996 [0,2,0,0,0,0|2,0,0]=4 4761 B10R0.6 CC(C)NC(=O)COCCBr 34a_100000211926_100000183996 [0,2,0,0,0,0|1,0,0]=3 4762 B10R0.6 CC(C)NC(=O)COCCN 34a_100000210304_100000183996 [0,2,0,0,0,0|1,0,0]=3 4763 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,2,0,0,0,0|1,0,0]=3 4764 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,2,0,0,0,0|1,0,0]=3 4765 B10R0.6 CC(C)NC(=O)CSCCF 62a_100000183996_100011217306 [0,2,0,0,0,0|1,1,0]=4 4766 B10R0.6 CC(C)NC(=O)CSCCF 62a_100011217306_100000183996 [0,2,0,0,0,0|1,1,0]=4 4767 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000183996_100000211926 [0,2,0,0,0,0|1,1,0]=4 4768 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000211926_100000183996 [0,2,0,0,0,0|1,1,0]=4 4769 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100000720768_100138425928 [0,2,0,0,0,0|2,0,0]=4 4770 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100138425928_100000720768 [0,2,0,0,0,0|2,0,0]=4 4771 B10R0.6 CC(C)NC(=O)NCCC#N 273464a_100138425928_100000720768 [0,2,0,0,0,0|2,0,0]=4 4772 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100000720768_100138425928 [0,2,0,0,0,0|2,0,0]=4 4773 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100138425928_100000720768 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,2,0,0,0,0|2,0,0]=4 4775 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 4776 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 4777 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,2,0,0,0,0|2,0,0]=4 4778 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 4779 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 4780 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 4781 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 4782 B10R0.6 CC(C)NC(=O)NNCCO 273464a_100138425928_100000210001 [0,2,0,0,0,0|2,0,0]=4 4783 B10R0.6 CC(C)NC(=O)NNCCO 512a_100138425928_100000210001 [0,2,0,0,0,0|2,0,0]=4 4784 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,2,0,0,0,0|2,0,0]=4 4785 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,2,0,0,0,0|2,0,0]=4 4786 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,2,0,0,0,0|2,0,0]=4 4787 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,2,0,0,0,0|2,0,0]=4 4788 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,2,0,0,0,0|2,0,0]=4 4789 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,2,0,0,0,0|1,0,0]=3 4790 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,2,0,0,0,0|1,0,0]=3 4791 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,2,0,0,0,0|1,1,0]=4 4792 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,2,0,0,0,0|1,1,0]=4 4793 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,2,0,0,0,0|1,1,0]=4 4794 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,2,0,0,0,0|1,1,0]=4 4795 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,2,0,0,0,0|1,0,0]=3 4796 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,2,0,0,0,0|1,0,0]=3 4797 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,2,0,0,0,0|2,0,0]=4 4798 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|2,0,0]=4 4799 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,2,0,0,0,0|1,0,0]=3 4800 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,2,0,0,0,0|1,0,0]=3 4801 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,2,0,0,0,0|2,0,0]=4 4802 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 4803 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 4804 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 4805 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 4806 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,2,0,0,0,0|1,0,0]=3 4807 B10R0.6 CC/C=C\CC(=O)CN(C)C 1458a_100000750896_100103147603 [0,2,0,0,0,0|2,0,0]=4 4808 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,2,0,0,0,0|2,0,0]=4 4809 B10R0.6 CC/C=C\CC(=O)C[S+](C)C 1458a_200159257847_100103147603 [0,2,0,0,0,0|2,0,0]=4 4810 B10R0.6 CC=CCOC(C)CC(C)C 34a_100000211805_100000070051 [0,2,0,0,0,0|1,0,1]=4 4811 B10R0.6 CC=CCOC(C)CC(C)C 7a_100000211805_100000070051 [0,2,0,0,0,0|1,0,1]=4 4812 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,2,0,0,0,0|1,0,0]=3 4813 B10R0.6 CCC#CCC(=O)CN(C)C 1458a_100000750896_100009813939 [0,2,0,0,0,0|2,0,0]=4 4814 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,2,0,0,0,0|2,0,0]=4 4815 B10R0.6 CCC#CCC(=O)C[S+](C)C 1458a_200159257847_100009813939 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.6 CCC=NNC(=O)CC(C)C 4a_100000189787_100000210100 [0,2,0,0,0,0|1,0,0]=3 4817 B10R0.6 CCC=NNC(=O)CN(C)C 4a_100000750941_100000210100 [0,2,0,0,0,0|2,0,0]=4 4818 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,2,0,0,0,0|1,0,0]=3 4819 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.6 CCCC#CC(=O)NC(C)C 240690a_100138425928_200011218047 [0,2,0,0,0,0|2,0,0]=4 4821 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,2,0,0,0,0|1,0,0]=3 4822 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,2,0,0,0,0|2,0,0]=4 4823 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 4824 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 4825 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 4826 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|1,0,0]=3 4827 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|1,0,0]=3 4828 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 4831 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 4832 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4835 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4837 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4838 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 4839 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 4840 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 4841 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 4842 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 4843 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,2,0,0,0,0|2,0,0]=4 4850 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,2,0,0,0,0|2,0,0]=4 4851 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|2,0,0]=4 4852 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 4858 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 4859 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 4861 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|1,0,1]=4 4862 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,2,0,0,0,0|1,0,0]=3 4863 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,2,0,0,0,0|1,0,0]=3 4864 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,2,0,0,0,0|1,0,1]=4 4865 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,2,0,0,0,0|1,0,1]=4 4866 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,2,0,0,0,0|1,0,1]=4 4867 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,2,0,0,0,0|1,0,1]=4 4868 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,2,0,0,0,0|1,0,0]=3 4870 B10R0.6 CCCNNC(=O)CN(C)C 22a_100000740057_100000750896 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,2,0,0,0,0|2,0,0]=4 4872 B10R0.6 CCCNNC(=O)C[S+](C)C 22a_100000740057_200159257847 [0,2,0,0,0,0|2,0,0]=4 4873 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,2,0,0,0,0|2,0,0]=4 4874 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|0,0,0]=2 4877 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|1,0,0]=3 4878 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,2,0,0,0,0|2,0,0]=4 4879 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 4880 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 4881 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 4882 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,2,0,0,0,0|1,0,0]=3 4883 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 4884 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|1,0,0]=3 4885 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,2,0,0,0,0|1,0,1]=4 4886 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|0,1,0]=3 4887 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|1,1,0]=4 4888 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 4889 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 4890 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 4891 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 4892 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,2,0,0,0,0|1,1,0]=4 4893 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,2,0,0,0,0|1,1,0]=4 4894 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|1,1,0]=4 4895 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|1,1,0]=4 4896 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,2,0,0,0,0|2,0,0]=4 4897 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|2,0,0]=4 4898 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,2,0,0,0,0|0,0,0]=2 4899 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,2,0,0,0,0|1,0,0]=3 4900 B10R0.6 CCOC=CC(=O)CC(F)F 1458a_100016266692_100011934356 [0,2,0,0,0,0|2,0,0]=4 4901 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [0,2,0,0,0,0|1,0,0]=3 4902 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [0,2,0,0,0,0|1,0,0]=3 4903 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [0,2,0,0,0,0|1,0,0]=3 4904 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,2,0,0,0,0|0,0,2]=4 4905 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|0,0,0]=2 4906 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|0,0,0]=2 4907 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|1,0,0]=3 4908 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,2,0,0,0,0|1,0,0]=3 4910 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|1,0,0]=3 4911 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,2,0,0,0,0|1,0,0]=3 4912 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 4913 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 4915 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 4916 B10R0.6 CCOCCN(C)CC(C)C 2230a_100000747067_100011215890 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.6 CCOCCN(C)CC(C)C 269982a_100000747067_100011215890 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,2,0,0,0,0|1,0,1]=4 4919 B10R0.6 CCOCSC(C)CC(C)C 62a_100000731052_100000739092 [0,2,0,0,0,0|1,0,1]=4 4920 B10R0.6 CCOCSC(C)CC(C)C 62a_100000739092_100000731052 [0,2,0,0,0,0|1,0,1]=4 4921 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|0,1,0]=3 4922 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|0,1,0]=3 4923 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|1,1,0]=4 4924 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,2,0,0,0,0|1,1,0]=4 4925 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|1,1,0]=4 4926 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,2,0,0,0,0|1,1,0]=4 4927 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,2,0,0,0,0|1,1,0]=4 4928 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,2,0,0,0,0|1,1,0]=4 4929 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,2,0,0,0,0|1,1,0]=4 4930 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,2,0,0,0,0|1,1,0]=4 4931 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,2,0,0,0,0|1,1,0]=4 4932 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,2,0,0,0,0|1,1,0]=4 4933 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|1,1,0]=4 4934 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|1,1,0]=4 4935 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,2,0,0,0,0|1,0,0]=3 4936 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,2,0,0,0,0|1,0,0]=3 4937 B10R0.6 CN(C)CC(=O)CCCC#N 1458a_100000750896_100000211468 [0,2,0,0,0,0|2,0,0]=4 4938 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,2,0,0,0,0|2,0,0]=4 4939 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,2,0,0,0,0|2,0,0]=4 4940 B10R0.6 CN(C)CC(=O)NCCC#N 11a_100000720768_100000750896 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.6 CN(C)CC(=O)NCCC#N 240690a_100000720768_100000750896 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.6 CN(C)CC(=O)NCCC#N 527a_100000720768_100000750896 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.6 CN(C)CC(=O)NCCCF 11a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 4944 B10R0.6 CN(C)CC(=O)NCCCF 240690a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 4945 B10R0.6 CN(C)CC(=O)NCCCF 527a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.6 CN(C)CC(=O)NCCCO 240690a_100000182051_100000750896 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.6 CN(C)CC(=O)NCCCO 527a_100000182051_100000750896 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.6 CN(C)CC(=O)NNCCO 22a_100000210001_100000750896 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|1,0,1]=4 4950 B10R0.6 COCC=CC(=O)CC(C)C 1458a_100016285016_100000210624 [0,2,0,0,0,0|1,0,0]=3 4951 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.6 COCC=CC(=O)NC(C)C 11a_100138425928_100016285016 [0,2,0,0,0,0|2,0,0]=4 4953 B10R0.6 COCC=CC(=O)NC(C)C 1626a_100138425928_100016285016 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.6 COCC=CC(=O)NC(C)C 240690a_100138425928_100016285016 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|1,0,0]=3 4956 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|1,0,0]=3 4957 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|2,0,0]=4 4958 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,2,0,0,0,0|2,0,0]=4 4959 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|2,0,0]=4 4960 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 4965 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,2,0,0,0,0|1,0,0]=3 4966 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,2,0,0,0,0|1,0,0]=3 4967 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,2,0,0,0,0|1,0,0]=3 4968 B10R0.6 COCCNC(=O)CN(C)C 2230a_100020672463_200000210301 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.6 COCCNC(=O)CN(C)C 2230a_100102631434_100000183275 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.6 COCCNC(=O)CN(C)C 240690a_100000209980_100000750896 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.6 COCCNC(=O)CN(C)C 269982a_100020672463_200000210301 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.6 COCCNC(=O)CN(C)C 269982a_100102631434_100000183275 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.6 COCCNC(=O)CN(C)C 527a_100000209980_100000750896 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.6 COCCNC(=O)CN(C)[13CH3] 2230a_100020672463_200025704644 [0,2,0,0,0,0|2,0,0]=4 4975 B10R0.6 COCCNC(=O)CN(C)[13CH3] 269982a_100020672463_200025704644 [0,2,0,0,0,0|2,0,0]=4 4976 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,2,0,0,0,0|2,0,0]=4 4977 B10R0.6 COCCNC(=O)C[S+](C)C 1626a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.6 COCCNC(=O)C[S+](C)C 240690a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 4979 B10R0.6 COCCNC(=O)C[S+](C)C 527a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 4980 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,2,0,0,0,0|2,0,0]=4 4982 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|1,0,1]=4 4983 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|1,0,1]=4 4984 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,2,0,0,0,0|1,0,0]=3 4985 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,2,0,0,0,0|1,0,0]=3 4986 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [0,2,0,0,0,0|1,0,1]=4 4987 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [0,2,0,0,0,0|1,0,1]=4 4988 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [0,2,0,0,0,0|1,0,1]=4 4989 B10R0.6 COCNCC(=O)NC(C)C 2230a_100000168517_100000766300 [0,2,0,0,0,0|2,0,0]=4 4990 B10R0.6 COCSCC(=O)NC(C)C 62a_100000183996_100000766300 [0,2,0,0,0,0|1,1,0]=4 4991 B10R0.6 COCSCC(=O)NC(C)C 62a_100000766300_100000183996 [0,2,0,0,0,0|1,1,0]=4 4992 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,2,0,0,0,0|1,1,0]=4 4993 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,2,0,0,0,0|1,1,0]=4 4994 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|1,0,0]=3 4995 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5001 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5002 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5003 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5004 B10R0.6 CSCCNC(=O)CN(C)C 11a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5005 B10R0.6 CSCCNC(=O)CN(C)C 240690a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5006 B10R0.6 CSCCNC(=O)CN(C)C 527a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5007 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.6 CSCCNC(=O)C[S+](C)C 11a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.6 CSCCNC(=O)C[S+](C)C 1626a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.6 CSCCNC(=O)C[S+](C)C 240690a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5011 B10R0.6 CSCCNC(=O)C[S+](C)C 527a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5012 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5014 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5015 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5017 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|1,0,1]=4 5018 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|1,0,1]=4 5019 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [0,2,0,0,0,0|1,0,1]=4 5020 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [0,2,0,0,0,0|1,0,1]=4 5021 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [0,2,0,0,0,0|1,0,1]=4 5022 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [0,2,0,0,0,0|1,0,1]=4 5023 B10R0.6 CSCNCC(=O)NC(C)C 2230a_100000168517_100011218213 [0,2,0,0,0,0|2,0,0]=4 5024 B10R0.6 CSCOC[C@@H](N)CC(C)C 34a_100011830311_100011218213 [0,2,0,0,0,0|1,0,1]=4 5025 B10R0.6 CSCSCC(=O)NC(C)C 62a_100000183996_100011218213 [0,2,0,0,0,0|1,1,0]=4 5026 B10R0.6 CSCSCC(=O)NC(C)C 62a_100011218213_100000183996 [0,2,0,0,0,0|1,1,0]=4 5027 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,2,0,0,0,0|1,1,0]=4 5028 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,2,0,0,0,0|1,1,0]=4 5029 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,2,0,0,0,0|2,0,0]=4 5030 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|2,0,0]=4 5031 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.6 C[C@@H](O)CC(=O)NCCC#N 240690a_100000720768_100011933948 [0,2,0,0,0,0|2,0,0]=4 5033 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,2,0,0,0,0|2,0,0]=4 5034 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,2,0,0,0,0|2,0,0]=4 5035 B10R0.6 C[C@@H](O)CC(=O)NNCCO 22a_100000210001_100011933948 [0,2,0,0,0,0|2,0,0]=4 5036 B10R0.6 C[S+](C)CC(=O)CCCC#N 1458a_200159257847_100000211468 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.6 C[S+](C)CC(=O)NCCC#N 11a_100000720768_200159257847 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.6 C[S+](C)CC(=O)NCCC#N 1626a_100000720768_200159257847 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.6 C[S+](C)CC(=O)NCCC#N 240690a_100000720768_200159257847 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.6 C[S+](C)CC(=O)NCCC#N 527a_100000720768_200159257847 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.6 C[S+](C)CC(=O)NCCCF 11a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5044 B10R0.6 C[S+](C)CC(=O)NCCCF 1626a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5045 B10R0.6 C[S+](C)CC(=O)NCCCF 240690a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5046 B10R0.6 C[S+](C)CC(=O)NCCCF 527a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5047 B10R0.6 C[S+](C)CC(=O)NCCCO 240690a_100000182051_200159257847 [0,2,0,0,0,0|2,0,0]=4 5048 B10R0.6 C[S+](C)CC(=O)NCCCO 527a_100000182051_200159257847 [0,2,0,0,0,0|2,0,0]=4 5049 B10R0.6 C[S+](C)CC(=O)NNCCO 22a_100000210001_200159257847 [0,2,0,0,0,0|2,0,0]=4 5050 B10R0.6 O=C(COCCO)CC(F)F 1458a_100000708028_100011934356 [0,2,0,0,0,0|2,0,0]=4 5051 B10R0.18 C#CC(C)NC(=O)COCC 11a_100000707721_100000211967 [0,2,0,0,0,0|1,0,1]=4 5052 B10R0.18 C#CC(C)NC(=O)COCC 1626a_100000707721_100000211967 [0,2,0,0,0,0|1,0,1]=4 5053 B10R0.18 C#CC(C)NC(=O)COCC 240690a_100000707721_100000211967 [0,2,0,0,0,0|1,0,1]=4 5054 B10R0.18 C#CC(C)NC(=O)COCC 527a_100000707721_100000211967 [0,2,0,0,0,0|1,0,1]=4 5055 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000692101_100000748023 [0,2,0,0,0,0|1,0,1]=4 5056 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000708755_100000753159 [0,2,0,0,0,0|1,0,1]=4 5057 B10R0.18 C#CCCC(=O)C[C@@H](C)CC 1458a_100000692101_100009816398 [0,2,0,0,0,0|1,0,1]=4 5058 B10R0.18 C#CCCC(=O)C[C@@H](C)CO 1458a_100000692101_100000059175 [0,2,0,0,0,0|1,0,1]=4 5059 B10R0.18 C#CCNC(=O)CC(C)CC 11a_100000212058_100000708755 [0,2,0,0,0,0|1,0,1]=4 5060 B10R0.18 C#CCNC(=O)CC(C)CC 1626a_100000212058_100000708755 [0,2,0,0,0,0|1,0,1]=4 5061 B10R0.18 C#CCNC(=O)CC(C)CC 240690a_100000212058_100000708755 [0,2,0,0,0,0|1,0,1]=4 5062 B10R0.18 C#CCNC(=O)CC(C)CC 527a_100000212058_100000708755 [0,2,0,0,0,0|1,0,1]=4 5063 B10R0.18 C/C=C/CC(=O)CC(C)CC 1458a_100000708755_100102629194 [0,2,0,0,0,0|1,0,1]=4 5064 B10R0.18 C=C(CN(C)CC)OCOC 269982a_100000225621_100000042856 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|1,0,1]=4 5066 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [0,2,0,0,0,0|1,0,1]=4 5067 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,2,0,0,0,0|1,0,1]=4 5068 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,2,0,0,0,0|1,0,1]=4 5069 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,2,0,0,0,0|1,0,1]=4 5070 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 5071 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 5072 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 5073 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,2,0,0,0,0|1,0,1]=4 5074 B10R0.18 C=CC(C)CC(=O)NCCF 11a_100000724931_100011934298 [0,2,0,0,0,0|1,0,1]=4 5075 B10R0.18 C=CC(C)CC(=O)NCCF 1626a_100000724931_100011934298 [0,2,0,0,0,0|1,0,1]=4 5076 B10R0.18 C=CC(C)CC(=O)NCCF 240690a_100000724931_100011934298 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.18 C=CC(C)CC(=O)NCCF 527a_100000724931_100011934298 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.18 C=CC(C)CC(=O)NCCO 240690a_100000210304_100011934298 [0,2,0,0,0,0|1,0,1]=4 5079 B10R0.18 C=CC(C)CC(=O)NCCO 527a_100000210304_100011934298 [0,2,0,0,0,0|1,0,1]=4 5080 B10R0.18 C=CC(C)CC(=O)NNCC 22a_100000756455_100011934298 [0,2,0,0,0,0|1,0,1]=4 5081 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,2,0,0,0,0|1,0,1]=4 5082 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,2,0,0,0,0|1,0,1]=4 5083 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,2,0,0,0,0|1,0,1]=4 5084 B10R0.18 C=CCCC(=O)C[C@@H](C)CO 1458a_100000749702_100000059175 [0,2,0,0,0,0|1,0,1]=4 5085 B10R0.18 C=CCNC(=O)CC(C)CC 1626a_100020586998_100000708755 [0,2,0,0,0,0|1,0,1]=4 5086 B10R0.18 C=CCNC(=O)CC(C)CC 240690a_100020586998_100000708755 [0,2,0,0,0,0|1,0,1]=4 5087 B10R0.18 C=CCNC(=O)CC(C)CC 527a_100020586998_100000708755 [0,2,0,0,0,0|1,0,1]=4 5088 B10R0.18 C=CCOC(=O)CN(C)CC 2230a_100000225621_100000033060 [0,2,0,0,0,0|1,0,1]=4 5089 B10R0.18 C=CCOC(=O)CN(C)CC 269982a_100000225621_100000033060 [0,2,0,0,0,0|1,0,1]=4 5090 B10R0.18 CC#CCC(=O)CC(C)CC 1458a_100000708755_100000748600 [0,2,0,0,0,0|1,0,1]=4 5091 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100000708755_100000070051 [0,2,0,0,0,0|1,0,1]=4 5092 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100121576822_100000748023 [0,2,0,0,0,0|1,0,1]=4 5093 B10R0.18 CC=CCC(=O)C[C@@H](C)CC 1458a_100121576822_100009816398 [0,2,0,0,0,0|1,0,1]=4 5094 B10R0.18 CC=CCC(=O)C[C@@H](C)CO 1458a_100121576822_100000059175 [0,2,0,0,0,0|1,0,1]=4 5095 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,2,0,0,0,0|1,0,0]=3 5096 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,2,0,0,0,0|2,0,0]=4 5097 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,2,0,0,0,0|1,0,0]=3 5098 B10R0.18 CCC#CC(=O)C[C@@H](C)CO 1458a_100011827653_100000059175 [0,2,0,0,0,0|1,0,0]=3 5099 B10R0.18 CCC(C)CC(=O)C#CCO 1458a_100000049017_100000748023 [0,2,0,0,0,0|1,0,1]=4 5100 B10R0.18 CCC(C)CC(=O)C=COC 1458a_100016268678_100000748023 [0,2,0,0,0,0|1,0,1]=4 5101 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100000708755_100011215226 [0,2,0,0,0,0|1,0,1]=4 5102 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100011934036_100000748023 [0,2,0,0,0,0|1,0,1]=4 5103 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,2,0,0,0,0|1,0,0]=3 5104 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,2,0,0,0,0|1,0,0]=3 5105 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,2,0,0,0,0|1,0,0]=3 5106 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,2,0,0,0,0|1,0,0]=3 5107 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,2,0,0,0,0|1,0,0]=3 5108 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,2,0,0,0,0|1,0,0]=3 5109 B10R0.18 CCC(C)CC(=O)NCC#N 1626a_100000734998_100000708755 [0,2,0,0,0,0|1,0,1]=4 5110 B10R0.18 CCC(C)CC(=O)NCC#N 527a_100000734998_100000708755 [0,2,0,0,0,0|1,0,1]=4 5111 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,2,0,0,0,0|1,0,0]=3 5112 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,2,0,0,0,0|1,0,0]=3 5113 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,2,0,0,0,0|1,0,0]=3 5114 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,2,0,0,0,0|1,0,0]=3 5115 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,2,0,0,0,0|1,0,0]=3 5116 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,2,0,0,0,0|1,0,0]=3 5117 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [0,2,0,0,0,0|2,0,0]=4 5118 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [0,2,0,0,0,0|2,0,0]=4 5119 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [0,2,0,0,0,0|2,0,0]=4 5120 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [0,2,0,0,0,0|2,0,0]=4 5121 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [0,2,0,0,0,0|2,0,0]=4 5122 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [0,2,0,0,0,0|2,0,0]=4 5125 B10R0.18 CCC(C)NC(=O)NCCF 2708a_100000209981_100000724931 [0,2,0,0,0,0|2,0,0]=4 5126 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000209981_100000724931 [0,2,0,0,0,0|2,0,0]=4 5127 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000724931_100000209981 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.18 CCC(C)NC(=O)NCCF 512a_100000209981_100000724931 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.18 CCC(C)NC(=O)NCCO 2708a_100000209981_100000210304 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000209981_100000210304 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000210304_100000209981 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.18 CCC(C)NC(=O)NCCO 512a_100000209981_100000210304 [0,2,0,0,0,0|2,0,0]=4 5133 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|2,0,0]=4 5135 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|2,0,0]=4 5136 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,2,0,0,0,0|2,0,0]=4 5142 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,2,0,0,0,0|1,0,0]=3 5143 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,2,0,0,0,0|1,0,0]=3 5145 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,2,0,0,0,0|1,0,0]=3 5146 B10R0.18 CCC=CC(=O)NC(C)CC 11a_100000209981_100000212282 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.18 CCC=CC(=O)NC(C)CC 1626a_100000209981_100000212282 [0,2,0,0,0,0|2,0,0]=4 5148 B10R0.18 CCC=CC(=O)NC(C)CC 240690a_100000209981_100000212282 [0,2,0,0,0,0|2,0,0]=4 5149 B10R0.18 CCC=CC(=O)N[C@H](C)CF 11a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 5150 B10R0.18 CCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.18 CCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.18 CCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212282 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|1,0,0]=3 5154 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|1,0,0]=3 5155 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,2,0,0,0,0|2,0,0]=4 5158 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|1,0,0]=3 5159 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|1,0,0]=3 5160 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 5161 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 5162 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 5163 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 5164 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5165 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5166 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5167 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5168 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 5169 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 5170 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5171 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5172 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5173 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5174 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,2,0,0,0,0|2,0,0]=4 5175 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,2,0,0,0,0|2,0,0]=4 5176 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [0,2,0,0,0,0|2,0,0]=4 5178 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [0,2,0,0,0,0|2,0,0]=4 5179 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [0,2,0,0,0,0|2,0,0]=4 5180 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [0,2,0,0,0,0|2,0,0]=4 5181 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [0,2,0,0,0,0|2,0,0]=4 5182 B10R0.18 CCCNC(=O)CN(C)CF 269982a_100000684209_100015361967 [0,2,0,0,0,0|2,0,0]=4 5183 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [0,2,0,0,0,0|2,0,0]=4 5189 B10R0.18 CCCNC(=O)N[C@H](C)CF 2708a_100020643023_100102880703 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100020643023_100102880703 [0,2,0,0,0,0|2,0,0]=4 5191 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020643023 [0,2,0,0,0,0|2,0,0]=4 5192 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100020643023_100102880703 [0,2,0,0,0,0|2,0,0]=4 5193 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100102880703_100020643023 [0,2,0,0,0,0|2,0,0]=4 5194 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [0,2,0,0,0,0|2,0,0]=4 5195 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [0,2,0,0,0,0|2,0,0]=4 5196 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [0,2,0,0,0,0|2,0,0]=4 5197 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [0,2,0,0,0,0|2,0,0]=4 5198 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 5199 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|1,0,1]=4 5200 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,2,0,0,0,0|1,0,0]=3 5201 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,2,0,0,0,0|1,0,0]=3 5202 B10R0.18 CCN(C)CC(=O)CCCF 1458a_100116209913_100011934791 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [0,2,0,0,0,0|2,0,0]=4 5204 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [0,2,0,0,0,0|2,0,0]=4 5205 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [0,2,0,0,0,0|2,0,0]=4 5206 B10R0.18 CCN(C)CC(=O)NCCF 240690a_100000724931_100116209913 [0,2,0,0,0,0|2,0,0]=4 5207 B10R0.18 CCN(C)CC(=O)NCCF 527a_100000724931_100116209913 [0,2,0,0,0,0|2,0,0]=4 5208 B10R0.18 CCN(C)CC(=O)NCCO 240690a_100000210304_100116209913 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.18 CCN(C)CC(=O)NCCO 527a_100000210304_100116209913 [0,2,0,0,0,0|2,0,0]=4 5210 B10R0.18 CCNCC(=O)NC(C)CC 2230a_100015525214_100000182745 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.18 CCNN=C(C)CC(C)CC 4a_100000756455_100011710205 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,2,0,0,0,0|1,0,0]=3 5213 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.18 CCNNC(=O)CN(C)CC 22a_100000756455_100116209913 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.18 CCNNC(=O)NC(C)CC 273464a_100000209981_100000756455 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000209981_100000756455 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000756455_100000209981 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.18 CCNNC(=O)N[C@H](C)CF 273464a_100102880703_100000756455 [0,2,0,0,0,0|2,0,0]=4 5219 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100000756455_100102880703 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100102880703_100000756455 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.18 CCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000756455 [0,2,0,0,0,0|2,0,0]=4 5222 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000737577_100000756455 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000756455_100000737577 [0,2,0,0,0,0|2,0,0]=4 5224 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 5225 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 5226 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|1,0,1]=4 5227 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|0,0,0]=2 5228 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|1,0,0]=3 5229 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|0,0,0]=2 5230 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|0,0,0]=2 5231 B10R0.18 CCOCC(=O)NC(C)C#N 11a_100000737613_100000211967 [0,2,0,0,0,0|1,0,1]=4 5232 B10R0.18 CCOCC(=O)NC(C)C#N 1626a_100000737613_100000211967 [0,2,0,0,0,0|1,0,1]=4 5233 B10R0.18 CCOCC(=O)NC(C)C#N 527a_100000737613_100000211967 [0,2,0,0,0,0|1,0,1]=4 5234 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5235 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5236 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5237 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [0,2,0,0,0,0|1,0,0]=3 5238 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5239 B10R0.18 CCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211967 [0,2,0,0,0,0|1,0,0]=3 5240 B10R0.18 CCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211967 [0,2,0,0,0,0|1,0,0]=3 5241 B10R0.18 CCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211967 [0,2,0,0,0,0|1,0,0]=3 5242 B10R0.18 CCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211967 [0,2,0,0,0,0|1,0,0]=3 5243 B10R0.18 CCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211967 [0,2,0,0,0,0|1,0,0]=3 5244 B10R0.18 CCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211967 [0,2,0,0,0,0|1,0,0]=3 5245 B10R0.18 CCOCN(C)CC(C)CC 269982a_100000753921_100000739092 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,2,0,0,0,0|0,1,0]=3 5247 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,2,0,0,0,0|1,1,0]=4 5248 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,2,0,0,0,0|0,1,0]=3 5249 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,2,0,0,0,0|0,1,0]=3 5250 B10R0.18 CCSCC(=O)NC(C)CC 11a_100000209981_100000230394 [0,2,0,0,0,0|1,1,0]=4 5251 B10R0.18 CCSCC(=O)NC(C)CC 1626a_100000209981_100000230394 [0,2,0,0,0,0|1,1,0]=4 5252 B10R0.18 CCSCC(=O)NC(C)CC 240690a_100000209981_100000230394 [0,2,0,0,0,0|1,1,0]=4 5253 B10R0.18 CCSCC(=O)NC(C)CC 527a_100000209981_100000230394 [0,2,0,0,0,0|1,1,0]=4 5254 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000182745_100000210202 [0,2,0,0,0,0|1,1,0]=4 5255 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000210202_100000182745 [0,2,0,0,0,0|1,1,0]=4 5256 B10R0.18 CCSCC(=O)N[C@H](C)CF 11a_100102880703_100000230394 [0,2,0,0,0,0|1,1,0]=4 5257 B10R0.18 CCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000230394 [0,2,0,0,0,0|1,1,0]=4 5258 B10R0.18 CCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000230394 [0,2,0,0,0,0|1,1,0]=4 5259 B10R0.18 CCSCC(=O)N[C@H](C)CF 527a_100102880703_100000230394 [0,2,0,0,0,0|1,1,0]=4 5260 B10R0.18 CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230394 [0,2,0,0,0,0|1,1,0]=4 5261 B10R0.18 CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230394 [0,2,0,0,0,0|1,1,0]=4 5262 B10R0.18 CC[C@H](C)CC(=O)C#CCO 1458a_100000049017_100009816398 [0,2,0,0,0,0|1,0,1]=4 5263 B10R0.18 CC[C@H](C)CC(=O)C=COC 1458a_100016268678_100009816398 [0,2,0,0,0,0|1,0,1]=4 5264 B10R0.18 CC[C@H](C)CC(=O)CCC#N 1458a_100011934036_100009816398 [0,2,0,0,0,0|1,0,1]=4 5265 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,2,0,0,0,0|1,0,0]=3 5266 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,2,0,0,0,0|1,0,0]=3 5267 B10R0.18 COC=CC(=O)C[C@@H](C)CO 1458a_100016268678_100000059175 [0,2,0,0,0,0|1,0,1]=4 5268 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,2,0,0,0,0|1,0,0]=3 5269 B10R0.18 COCCC(=O)N[C@H](C)CF 11a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5270 B10R0.18 COCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5271 B10R0.18 COCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5272 B10R0.18 COCCC(=O)N[C@H](C)CF 527a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5273 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [0,2,0,0,0,0|2,0,0]=4 5274 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [0,2,0,0,0,0|2,0,0]=4 5275 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,2,0,0,0,0|1,0,0]=3 5276 B10R0.18 CSCCC(=O)N[C@H](C)CF 11a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5277 B10R0.18 CSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5278 B10R0.18 CSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5279 B10R0.18 CSCCC(=O)N[C@H](C)CF 527a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5280 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,2,0,0,0,0|2,0,0]=4 5281 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,2,0,0,0,0|2,0,0]=4 5282 B10R0.18 C[C@@H](CO)CC(=O)C#CCO 1458a_100000049017_100000059175 [0,2,0,0,0,0|1,0,1]=4 5283 B10R0.18 C[C@@H](CO)CC(=O)CCC#N 1458a_100011934036_100000059175 [0,2,0,0,0,0|1,0,1]=4 5284 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100000724931_100102880703 [0,2,0,0,0,0|2,0,0]=4 5285 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100102880703_100000724931 [0,2,0,0,0,0|2,0,0]=4 5286 B10R0.18 C[C@H](CF)NC(=O)NCCF 512a_100102880703_100000724931 [0,2,0,0,0,0|2,0,0]=4 5287 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100000210304_100102880703 [0,2,0,0,0,0|2,0,0]=4 5288 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100102880703_100000210304 [0,2,0,0,0,0|2,0,0]=4 5289 B10R0.18 C[C@H](CF)NC(=O)NCCO 512a_100102880703_100000210304 [0,2,0,0,0,0|2,0,0]=4 5290 B10R0.18 C[C@H](CO)NC(=O)NCCF 273464a_100000737577_100000724931 [0,2,0,0,0,0|2,0,0]=4 5291 B10R0.18 C[C@H](CO)NC(=O)NCCF 512a_100000737577_100000724931 [0,2,0,0,0,0|2,0,0]=4 5292 B10R0.18 C[C@H](CO)NC(=O)NCCO 273464a_100000737577_100000210304 [0,2,0,0,0,0|2,0,0]=4 5293 B10R0.18 C[C@H](CO)NC(=O)NCCO 512a_100000737577_100000210304 [0,2,0,0,0,0|2,0,0]=4 5294 B10R0.28 C#CCCC(=O)CC(C)(C)C 1458a_100000211214_100000753159 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.28 C#CCCC(=O)CC(C)(C)O 1458a_100000693243_100000753159 [0,2,0,0,0,0|1,0,1]=4 5296 B10R0.28 C#CCNC(=O)CC(C)(C)C 11a_100000212058_100000211214 [0,2,0,0,0,0|1,0,1]=4 5297 B10R0.28 C#CCNC(=O)CC(C)(C)C 1626a_100000212058_100000211214 [0,2,0,0,0,0|1,0,1]=4 5298 B10R0.28 C#CCNC(=O)CC(C)(C)C 240690a_100000212058_100000211214 [0,2,0,0,0,0|1,0,1]=4 5299 B10R0.28 C#CCNC(=O)CC(C)(C)C 527a_100000212058_100000211214 [0,2,0,0,0,0|1,0,1]=4 5300 B10R0.28 C#CCNC(=O)CC(C)(C)O 527a_100000212058_100000693243 [0,2,0,0,0,0|1,0,1]=4 5301 B10R0.28 C/C=C/CC(=O)CC(C)(C)C 1458a_100000211214_100102629194 [0,2,0,0,0,0|1,0,1]=4 5302 B10R0.28 C/C=C/CC(=O)CC(C)(C)O 1458a_100000693243_100102629194 [0,2,0,0,0,0|1,0,1]=4 5303 B10R0.28 C=CCCC(=O)CC(C)(C)C 1458a_100000211214_100000754431 [0,2,0,0,0,0|1,0,1]=4 5304 B10R0.28 C=CCCC(=O)CC(C)(C)O 1458a_100000693243_100000754431 [0,2,0,0,0,0|1,0,1]=4 5305 B10R0.28 C=CCNC(=O)CC(C)(C)C 1626a_100020586998_100000211214 [0,2,0,0,0,0|1,0,1]=4 5306 B10R0.28 C=CCNC(=O)CC(C)(C)C 240690a_100020586998_100000211214 [0,2,0,0,0,0|1,0,1]=4 5307 B10R0.28 C=CCNC(=O)CC(C)(C)C 527a_100020586998_100000211214 [0,2,0,0,0,0|1,0,1]=4 5308 B10R0.28 C=CCNC(=O)CC(C)(C)O 527a_100020586998_100000693243 [0,2,0,0,0,0|1,0,1]=4 5309 B10R0.28 CC#CCC(=O)CC(C)(C)C 1458a_100000211214_100000748600 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.28 CC#CCC(=O)CC(C)(C)O 1458a_100000693243_100000748600 [0,2,0,0,0,0|1,0,1]=4 5311 B10R0.28 CC(C)(C)CC(=O)CCC#N 1458a_100000211214_100011215226 [0,2,0,0,0,0|1,0,1]=4 5312 B10R0.28 CC(C)(C)CC(=O)CCCF 1458a_100000211214_100011934791 [0,2,0,0,0,0|1,0,0]=3 5313 B10R0.28 CC(C)(C)CC(=O)CCCO 1458a_100000211214_100011215043 [0,2,0,0,0,0|1,0,0]=3 5314 B10R0.28 CC(C)(C)CC(=O)NCC#N 1626a_100000734998_100000211214 [0,2,0,0,0,0|1,0,1]=4 5315 B10R0.28 CC(C)(C)CC(=O)NCC#N 527a_100000734998_100000211214 [0,2,0,0,0,0|1,0,1]=4 5316 B10R0.28 CC(C)(C)CC(=O)NCCF 11a_100000724931_100000211214 [0,2,0,0,0,0|1,0,0]=3 5317 B10R0.28 CC(C)(C)CC(=O)NCCF 1626a_100000724931_100000211214 [0,2,0,0,0,0|1,0,0]=3 5318 B10R0.28 CC(C)(C)CC(=O)NCCF 240690a_100000724931_100000211214 [0,2,0,0,0,0|1,0,0]=3 5319 B10R0.28 CC(C)(C)CC(=O)NCCF 527a_100000724931_100000211214 [0,2,0,0,0,0|1,0,0]=3 5320 B10R0.28 CC(C)(C)CC(=O)NCCO 240690a_100000210304_100000211214 [0,2,0,0,0,0|1,0,0]=3 5321 B10R0.28 CC(C)(C)CC(=O)NCCO 527a_100000210304_100000211214 [0,2,0,0,0,0|1,0,0]=3 5322 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200010999194_200025704644 [0,2,0,0,0,0|0,0,0]=2 5323 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200025704644_200010999194 [0,2,0,0,0,0|0,0,0]=2 5324 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_100011194433_200025704644 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_200025704644_100011194433 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.28 CC(C)(C)NC(=O)NCCF 273464a_100000715429_100000724931 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.28 CC(C)(C)NC(=O)NCCF 273464a_100000724931_100000715429 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.28 CC(C)(C)NC(=O)NCCF 512a_100000715429_100000724931 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.28 CC(C)(C)NC(=O)NCCO 273464a_100000210304_100000715429 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.28 CC(C)(C)NC(=O)NCCO 273464a_100000715429_100000210304 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.28 CC(C)(C)NC(=O)NCCO 512a_100000715429_100000210304 [0,2,0,0,0,0|2,0,0]=4 5332 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 34a_100011934494_200025704644 [0,2,0,0,0,0|2,0,0]=4 5333 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 7a_100011934494_200025704644 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_100009816755_200025704644 [0,2,0,0,0,0|2,0,0]=4 5335 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_200025704644_100009816755 [0,2,0,0,0,0|2,0,0]=4 5336 B10R0.28 CC(C)(C)OC(=O)COCF 34a_100000752683_100015361967 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.28 CC(C)(O)CC(=O)CCC#N 1458a_100000693243_100011215226 [0,2,0,0,0,0|1,0,1]=4 5338 B10R0.28 CC(C)(O)CC(=O)CCCF 1458a_100000693243_100011934791 [0,2,0,0,0,0|1,0,0]=3 5339 B10R0.28 CC(C)(O)CC(=O)CCCO 1458a_100000693243_100011215043 [0,2,0,0,0,0|1,0,0]=3 5340 B10R0.28 CC(C)(O)CC(=O)NCC#N 527a_100000734998_100000693243 [0,2,0,0,0,0|1,0,1]=4 5341 B10R0.28 CC(C)(O)CC(=O)NCCF 527a_100000724931_100000693243 [0,2,0,0,0,0|1,0,0]=3 5342 B10R0.28 CC(C)(O)CC(=O)NCCO 527a_100000210304_100000693243 [0,2,0,0,0,0|1,0,0]=3 5343 B10R0.28 CC(CC(C)(C)C)OCCF 7a_200011218616_100011217306 [0,2,0,0,0,0|1,0,1]=4 5344 B10R0.28 CC(CC(C)(C)C)OCCO 7a_200011218616_100000211926 [0,2,0,0,0,0|1,0,1]=4 5345 B10R0.28 CC=CCC(=O)CC(C)(C)C 1458a_100000211214_100000070051 [0,2,0,0,0,0|1,0,1]=4 5346 B10R0.28 CC=CCC(=O)CC(C)(C)O 1458a_100000693243_100000070051 [0,2,0,0,0,0|1,0,1]=4 5347 B10R0.28 CC=NNC(=O)CC(C)(C)C 4a_200000189801_200000210099 [0,2,0,0,0,0|1,0,1]=4 5348 B10R0.28 CCC#CC(=O)C[Si](C)(C)C 1458a_100011827653_100000233785 [0,2,0,0,0,0|1,1,0]=4 5349 B10R0.28 CCC=CC(=O)C[Si](C)(C)C 1458a_100000212282_100000233785 [0,2,0,0,0,0|1,1,0]=4 5350 B10R0.28 CCC=CC(=O)NC(C)(C)C 11a_100000715429_100000212282 [0,2,0,0,0,0|2,0,0]=4 5351 B10R0.28 CCC=CC(=O)NC(C)(C)C 1626a_100000715429_100000212282 [0,2,0,0,0,0|2,0,0]=4 5352 B10R0.28 CCC=CC(=O)NC(C)(C)C 240690a_100000715429_100000212282 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,2,0,0,0,0|1,0,0]=3 5354 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,2,0,0,0,0|1,0,0]=3 5355 B10R0.28 CCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210211 [0,2,0,0,0,0|2,0,0]=4 5356 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100000210183_100000233785 [0,2,0,0,0,0|1,1,0]=4 5357 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210211 [0,2,0,0,0,0|1,1,0]=4 5358 B10R0.28 CCCCC(=O)NC(C)(C)C 11a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5359 B10R0.28 CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5360 B10R0.28 CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5361 B10R0.28 CCCCC(=O)NC(C)(C)C 527a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.28 CCCNC(=O)CC(C)(C)C 11a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5363 B10R0.28 CCCNC(=O)CC(C)(C)C 1626a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5364 B10R0.28 CCCNC(=O)CC(C)(C)C 240690a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5365 B10R0.28 CCCNC(=O)CC(C)(C)C 527a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5366 B10R0.28 CCCNC(=O)CC(C)(C)O 527a_100020643023_100000693243 [0,2,0,0,0,0|1,0,0]=3 5367 B10R0.28 CCCNC(=O)C[N+](C)(C)C 11a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5368 B10R0.28 CCCNC(=O)C[N+](C)(C)C 1626a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5369 B10R0.28 CCCNC(=O)C[N+](C)(C)C 240690a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5370 B10R0.28 CCCNC(=O)C[N+](C)(C)C 527a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5371 B10R0.28 CCCNC(=O)C[Si](C)(C)C 11a_100020643023_100011218504 [0,2,0,0,0,0|1,1,0]=4 5372 B10R0.28 CCCNC(=O)C[Si](C)(C)C 1626a_100020643023_100011218504 [0,2,0,0,0,0|1,1,0]=4 5373 B10R0.28 CCCNC(=O)NC(C)(C)C 2708a_100020643023_100000715429 [0,2,0,0,0,0|2,0,0]=4 5374 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100000715429_100020643023 [0,2,0,0,0,0|2,0,0]=4 5375 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100020643023_100000715429 [0,2,0,0,0,0|2,0,0]=4 5376 B10R0.28 CCCNC(=O)NC(C)(C)C 512a_100000715429_100020643023 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.28 CCCOC(C)CC(C)(C)C 7a_200011218616_100000210303 [0,2,0,0,0,0|1,0,1]=4 5378 B10R0.28 CCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210202 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.28 CCNCC(=O)NC(C)(C)C 2230a_100015525214_100000182746 [0,2,0,0,0,0|2,0,0]=4 5380 B10R0.28 CCNCC(=O)NC(C)(C)C 34a_100000174917_100000210202 [0,2,0,0,0,0|2,0,0]=4 5381 B10R0.28 CCNCC(=O)OC(C)(C)C 2230a_100015525214_100000183872 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.28 CCNNC(=O)CC(C)(C)C 22a_100000756455_100000211214 [0,2,0,0,0,0|1,0,0]=3 5383 B10R0.28 CCNNC(=O)CC(C)(C)O 22a_100000756455_100000693243 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.28 CCNNC(=O)C[N+](C)(C)C 22a_100000756455_100000033712 [0,2,0,0,0,0|2,0,0]=4 5385 B10R0.28 CCNNC(=O)NC(C)(C)C 273464a_100000715429_100000756455 [0,2,0,0,0,0|2,0,0]=4 5386 B10R0.28 CCNNC(=O)NC(C)(C)C 512a_100000715429_100000756455 [0,2,0,0,0,0|2,0,0]=4 5387 B10R0.28 CCOCC(=O)C[Si](C)(C)C 1458a_100000211967_100000233785 [0,2,0,0,0,0|0,1,0]=3 5388 B10R0.28 CCOCC(=O)NC(C)(C)C 11a_100000715429_100000211967 [0,2,0,0,0,0|1,0,0]=3 5389 B10R0.28 CCOCC(=O)NC(C)(C)C 1626a_100000715429_100000211967 [0,2,0,0,0,0|1,0,0]=3 5390 B10R0.28 CCOCC(=O)NC(C)(C)C 240690a_100000715429_100000211967 [0,2,0,0,0,0|1,0,0]=3 5391 B10R0.28 CCOCC(=O)NC(C)(C)C 34a_100121572206_100000182746 [0,2,0,0,0,0|1,0,0]=3 5392 B10R0.28 CCOCC(=O)NC(C)(C)C 527a_100000715429_100000211967 [0,2,0,0,0,0|1,0,0]=3 5393 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100000752683_100000210202 [0,2,0,0,0,0|1,0,0]=3 5394 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100121572206_100000183872 [0,2,0,0,0,0|1,0,0]=3 5395 B10R0.28 CCOCC(=O)O[Si](C)(C)C 34a_100121572206_200009813336 [0,2,0,0,0,0|1,1,0]=4 5396 B10R0.28 CCOCC(C)CC(C)(C)C 7a_200011215325_100000210202 [0,2,0,0,0,0|1,0,1]=4 5397 B10R0.28 CCOCN(C)CC(C)(C)C 269982a_100000742839_100000739092 [0,2,0,0,0,0|2,0,0]=4 5398 B10R0.28 CCOCN(C)CC(C)(C)O 269982a_100000755907_100000739092 [0,2,0,0,0,0|2,0,0]=4 5399 B10R0.28 CCSCC(=O)C[Si](C)(C)C 1458a_100000230394_100000233785 [0,2,0,0,0,0|0,2,0]=4 5400 B10R0.28 CCSCC(=O)NC(C)(C)C 11a_100000715429_100000230394 [0,2,0,0,0,0|1,1,0]=4 5401 B10R0.28 CCSCC(=O)NC(C)(C)C 1626a_100000715429_100000230394 [0,2,0,0,0,0|1,1,0]=4 5402 B10R0.28 CCSCC(=O)NC(C)(C)C 240690a_100000715429_100000230394 [0,2,0,0,0,0|1,1,0]=4 5403 B10R0.28 CCSCC(=O)NC(C)(C)C 527a_100000715429_100000230394 [0,2,0,0,0,0|1,1,0]=4 5404 B10R0.28 CCSCC(=O)NC(C)(C)C 62a_100000182746_100000210202 [0,2,0,0,0,0|1,1,0]=4 5405 B10R0.28 CCSCC(=O)NC(C)(C)C 62a_100000210202_100000182746 [0,2,0,0,0,0|1,1,0]=4 5406 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000183872_100000210202 [0,2,0,0,0,0|1,1,0]=4 5407 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000210202_100000183872 [0,2,0,0,0,0|1,1,0]=4 5408 B10R0.28 CNCCC(=O)NC(C)(C)C 2230a_106832991635_100011194433 [0,2,0,0,0,0|2,0,0]=4 5409 B10R0.28 CNCCC(=O)NC(C)(C)C 7a_106832991635_100011194433 [0,2,0,0,0,0|2,0,0]=4 5410 B10R0.28 CNCCC(=O)OC(C)(C)C 2230a_106832991635_100009816755 [0,2,0,0,0,0|2,0,0]=4 5411 B10R0.28 CNCCC(=O)OC(C)(C)C 34a_100102657272_100009816755 [0,2,0,0,0,0|2,0,0]=4 5412 B10R0.28 CNCCC(=O)OC(C)(C)C 7a_106832991635_100009816755 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.28 CNCOC(=O)CC(C)(C)C 2230a_106832991635_200010999194 [0,2,0,0,0,0|0,0,0]=2 5414 B10R0.28 CNCOC(=O)CC(C)(C)C 34a_100102657272_200010999194 [0,2,0,0,0,0|0,0,0]=2 5415 B10R0.28 CNCOC(=O)CC(C)(C)C 7a_106832991635_200010999194 [0,2,0,0,0,0|0,0,0]=2 5416 B10R0.28 COCCC(=O)CC(C)(C)C 1458a_100000211214_100000233755 [0,2,0,0,0,0|1,0,0]=3 5417 B10R0.28 COCCC(=O)CC(C)(C)O 1458a_100000693243_100000233755 [0,2,0,0,0,0|1,0,0]=3 5418 B10R0.28 COCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000233755 [0,2,0,0,0,0|2,0,0]=4 5419 B10R0.28 COCCC(=O)C[Si](C)(C)C 1458a_100000749529_100000233785 [0,2,0,0,0,0|1,1,0]=4 5420 B10R0.28 COCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000233755 [0,2,0,0,0,0|1,1,0]=4 5421 B10R0.28 COCCC(=O)NC(C)(C)C 11a_100000715429_100000749529 [0,2,0,0,0,0|2,0,0]=4 5422 B10R0.28 COCCC(=O)NC(C)(C)C 1626a_100000715429_100000749529 [0,2,0,0,0,0|2,0,0]=4 5423 B10R0.28 COCCC(=O)NC(C)(C)C 240690a_100000715429_100000749529 [0,2,0,0,0,0|2,0,0]=4 5424 B10R0.28 COCCC(=O)NC(C)(C)C 527a_100000715429_100000749529 [0,2,0,0,0,0|2,0,0]=4 5425 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100011934494_200000210301 [0,2,0,0,0,0|2,0,0]=4 5426 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100138415774_100009816755 [0,2,0,0,0,0|2,0,0]=4 5427 B10R0.28 COCCC(=O)OC(C)(C)C 7a_100011934494_200000210301 [0,2,0,0,0,0|2,0,0]=4 5428 B10R0.28 COCOC(=O)CC(C)(C)C 34a_100138415774_200010999194 [0,2,0,0,0,0|0,0,0]=2 5429 B10R0.28 CSCCC(=O)CC(C)(C)C 1458a_100000211214_100000751147 [0,2,0,0,0,0|1,0,0]=3 5430 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [0,2,0,0,0,0|1,0,0]=3 5431 B10R0.28 CSCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000751147 [0,2,0,0,0,0|2,0,0]=4 5432 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100000174002_100000233785 [0,2,0,0,0,0|1,1,0]=4 5433 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000751147 [0,2,0,0,0,0|1,1,0]=4 5434 B10R0.28 CSCCC(=O)NC(C)(C)C 11a_100000715429_100000174002 [0,2,0,0,0,0|2,0,0]=4 5435 B10R0.28 CSCCC(=O)NC(C)(C)C 1626a_100000715429_100000174002 [0,2,0,0,0,0|2,0,0]=4 5436 B10R0.28 CSCCC(=O)NC(C)(C)C 240690a_100000715429_100000174002 [0,2,0,0,0,0|2,0,0]=4 5437 B10R0.28 CSCCC(=O)NC(C)(C)C 527a_100000715429_100000174002 [0,2,0,0,0,0|2,0,0]=4 5438 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_100011194433_200000210301 [0,2,0,0,0,0|2,0,0]=4 5439 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_200000210301_100011194433 [0,2,0,0,0,0|2,0,0]=4 5440 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_100009816755_200000210301 [0,2,0,0,0,0|2,0,0]=4 5441 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_200000210301_100009816755 [0,2,0,0,0,0|2,0,0]=4 5442 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200000210301_200010999194 [0,2,0,0,0,0|0,0,0]=2 5443 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200010999194_200000210301 [0,2,0,0,0,0|0,0,0]=2 5444 B10R0.28 C[N+](C)(C)CC(=O)CCCF 1458a_100000033712_100011934791 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.28 C[N+](C)(C)CC(=O)CCCO 1458a_100000033712_100011215043 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.28 C[N+](C)(C)CC(=O)NCCF 11a_100000724931_100000033712 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.28 C[N+](C)(C)CC(=O)NCCF 1626a_100000724931_100000033712 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.28 C[N+](C)(C)CC(=O)NCCF 240690a_100000724931_100000033712 [0,2,0,0,0,0|2,0,0]=4 5449 B10R0.28 C[N+](C)(C)CC(=O)NCCF 527a_100000724931_100000033712 [0,2,0,0,0,0|2,0,0]=4 5450 B10R0.28 C[N+](C)(C)CC(=O)NCCO 240690a_100000210304_100000033712 [0,2,0,0,0,0|2,0,0]=4 5451 B10R0.28 C[N+](C)(C)CC(=O)NCCO 527a_100000210304_100000033712 [0,2,0,0,0,0|2,0,0]=4 5452 B10R0.28 C[Si](C)(C)CC(=O)CCCF 1458a_100011218504_100011934791 [0,2,0,0,0,0|1,1,0]=4 5453 B10R0.28 C[Si](C)(C)CC(=O)CCCO 1458a_100011218504_100011215043 [0,2,0,0,0,0|1,1,0]=4 5454 B10R0.28 C[Si](C)(C)CC(=O)NCCF 11a_100000724931_100011218504 [0,2,0,0,0,0|1,1,0]=4 5455 B10R0.28 C[Si](C)(C)CC(=O)NCCF 1626a_100000724931_100011218504 [0,2,0,0,0,0|1,1,0]=4 5456 B10R0.44 C#CC(C)NC(=O)CC(C)C 11a_100000707721_100000210554 [0,2,0,0,0,0|1,0,0]=3 5457 B10R0.44 C#CC(C)NC(=O)CC(C)C 1626a_100000707721_100000210554 [0,2,0,0,0,0|1,0,0]=3 5458 B10R0.44 C#CC(C)NC(=O)CC(C)C 240690a_100000707721_100000210554 [0,2,0,0,0,0|1,0,0]=3 5459 B10R0.44 C#CC(C)NC(=O)CC(C)C 527a_100000707721_100000210554 [0,2,0,0,0,0|1,0,0]=3 5460 B10R0.44 C#CC(C)NC(=O)CN(C)C 11a_100000707721_100000750896 [0,2,0,0,0,0|2,0,0]=4 5461 B10R0.44 C#CC(C)NC(=O)CN(C)C 240690a_100000707721_100000750896 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.44 C#CC(C)NC(=O)CN(C)C 527a_100000707721_100000750896 [0,2,0,0,0,0|2,0,0]=4 5463 B10R0.44 C#CC(C)NC(=O)C[C@@H](C)O 240690a_100000707721_100011933948 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 11a_100000707721_200159257847 [0,2,0,0,0,0|2,0,0]=4 5465 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 1626a_100000707721_200159257847 [0,2,0,0,0,0|2,0,0]=4 5466 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 240690a_100000707721_200159257847 [0,2,0,0,0,0|2,0,0]=4 5467 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 527a_100000707721_200159257847 [0,2,0,0,0,0|2,0,0]=4 5468 B10R0.44 C#CC(C)NC(=O)NC(C)C 2708a_100000707721_100138425928 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.44 C#CC(C)NC(=O)NC(C)C 2708a_100138425928_100000707721 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.44 C#CC(C)NC(=O)NC(C)C 273464a_100138425928_100000707721 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.44 C#CC(C)NC(=O)NC(C)C 512a_100000707721_100138425928 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.44 C#CC(C)NC(=O)NC(C)C 512a_100138425928_100000707721 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.44 C#CC(C)OC(C)CC(C)C 34a_100000211805_200000035995 [0,2,0,0,0,0|1,0,1]=4 5474 B10R0.44 C#C[C@@H](C)OC(C)CC(C)C 34a_100009815206_100000731052 [0,2,0,0,0,0|1,0,1]=4 5475 B10R0.44 C#C[C@@H](C)OC(C)CC(C)C 7a_100009815206_100000731052 [0,2,0,0,0,0|1,0,1]=4 5476 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,2,0,0,0,0|1,0,1]=4 5477 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,2,0,0,0,0|1,0,0]=3 5478 B10R0.44 C=CC(C)CC(=O)CC(C)O 1458a_100011934298_100011218427 [0,2,0,0,0,0|1,0,1]=4 5479 B10R0.44 C=CC(C)CC(=O)NC(C)C 11a_100138425928_100011934298 [0,2,0,0,0,0|1,0,1]=4 5480 B10R0.44 C=CC(C)CC(=O)NC(C)C 1626a_100138425928_100011934298 [0,2,0,0,0,0|1,0,1]=4 5481 B10R0.44 C=CC(C)CC(=O)NC(C)C 240690a_100138425928_100011934298 [0,2,0,0,0,0|1,0,1]=4 5482 B10R0.44 C=CC(C)CC(=O)NC(C)C 527a_100138425928_100011934298 [0,2,0,0,0,0|1,0,1]=4 5483 B10R0.44 C=CC(C)OC(C)CC(C)C 34a_100000695699_100000731052 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,2,0,0,0,0|1,0,1]=4 5485 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,2,0,0,0,0|1,0,1]=4 5486 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,2,0,0,0,0|1,0,1]=4 5487 B10R0.44 CC(C#N)NC(=O)CN(C)C 11a_100000737613_100000750896 [0,2,0,0,0,0|2,0,0]=4 5488 B10R0.44 CC(C#N)NC(=O)CN(C)C 527a_100000737613_100000750896 [0,2,0,0,0,0|2,0,0]=4 5489 B10R0.44 CC(C#N)NC(=O)C[S+](C)C 11a_100000737613_200159257847 [0,2,0,0,0,0|2,0,0]=4 5490 B10R0.44 CC(C#N)NC(=O)C[S+](C)C 1626a_100000737613_200159257847 [0,2,0,0,0,0|2,0,0]=4 5491 B10R0.44 CC(C#N)NC(=O)C[S+](C)C 527a_100000737613_200159257847 [0,2,0,0,0,0|2,0,0]=4 5492 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,2,0,0,0,0|1,0,0]=3 5493 B10R0.44 CC(C)CC(=O)NC(C)C#N 11a_100000737613_100000210554 [0,2,0,0,0,0|1,0,0]=3 5494 B10R0.44 CC(C)CC(=O)NC(C)C#N 1626a_100000737613_100000210554 [0,2,0,0,0,0|1,0,0]=3 5495 B10R0.44 CC(C)CC(=O)NC(C)C#N 527a_100000737613_100000210554 [0,2,0,0,0,0|1,0,0]=3 5496 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,2,0,0,0,0|1,0,0]=3 5497 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,2,0,0,0,0|1,0,0]=3 5498 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,2,0,0,0,0|1,0,0]=3 5499 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,2,0,0,0,0|1,0,0]=3 5500 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,2,0,0,0,0|1,0,0]=3 5501 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,2,0,0,0,0|1,0,0]=3 5502 B10R0.44 CC(C)CC(C)OC(C)C#N 34a_100011218135_100000731052 [0,2,0,0,0,0|1,0,1]=4 5503 B10R0.44 CC(C)CC(C)OC(C)C#N 7a_100000211805_100000703298 [0,2,0,0,0,0|1,0,1]=4 5504 B10R0.44 CC(C)CC(C)OC(C)CF 34a_100016041109_100000731052 [0,2,0,0,0,0|1,0,1]=4 5505 B10R0.44 CC(C)CC(C)OC(C)CF 7a_100016041109_100000731052 [0,2,0,0,0,0|1,0,1]=4 5506 B10R0.44 CC(C)CC(C)OC(C)CN 34a_100000210904_100000731052 [0,2,0,0,0,0|1,0,1]=4 5507 B10R0.44 CC(C)CC(C)OC(C)CO 34a_100000211805_100012180447 [0,2,0,0,0,0|1,0,1]=4 5508 B10R0.44 CC(C)CC(C)OC(C)CO 7a_100000211805_100012180447 [0,2,0,0,0,0|1,0,1]=4 5509 B10R0.44 CC(C)NC(=O)CN(C)CF 269982a_100000168146_100015361967 [0,2,0,0,0,0|2,0,0]=4 5510 B10R0.44 CC(C)NC(=O)NC(C)C#N 2708a_100000737613_100138425928 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.44 CC(C)NC(=O)NC(C)C#N 2708a_100138425928_100000737613 [0,2,0,0,0,0|2,0,0]=4 5512 B10R0.44 CC(C)NC(=O)NC(C)C#N 273464a_100138425928_100000737613 [0,2,0,0,0,0|2,0,0]=4 5513 B10R0.44 CC(C)NC(=O)NC(C)C#N 512a_100000737613_100138425928 [0,2,0,0,0,0|2,0,0]=4 5514 B10R0.44 CC(C)NC(=O)NC(C)C#N 512a_100138425928_100000737613 [0,2,0,0,0,0|2,0,0]=4 5515 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 2708a_100138425928_100102880703 [0,2,0,0,0,0|2,0,0]=4 5516 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 273464a_100138425928_100102880703 [0,2,0,0,0,0|2,0,0]=4 5517 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100138425928 [0,2,0,0,0,0|2,0,0]=4 5518 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100138425928_100102880703 [0,2,0,0,0,0|2,0,0]=4 5519 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 2708a_100138425928_100000737577 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100138425928 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100138425928_100000737577 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,2,0,0,0,0|1,0,1]=4 5523 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,2,0,0,0,0|1,0,0]=3 5524 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,2,0,0,0,0|1,0,0]=3 5525 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,2,0,0,0,0|1,0,0]=3 5526 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,2,0,0,0,0|2,0,0]=4 5527 B10R0.44 CCC(=CC(=O)NC(C)C)C 11a_100138425928_100020758463 [0,2,0,0,0,0|2,0,0]=4 5528 B10R0.44 CCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020758463 [0,2,0,0,0,0|2,0,0]=4 5529 B10R0.44 CCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020758463 [0,2,0,0,0,0|2,0,0]=4 5530 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|1,0,0]=3 5531 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [0,2,0,0,0,0|2,0,0]=4 5534 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,2,0,0,0,0|2,0,0]=4 5535 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,2,0,0,0,0|1,0,1]=4 5536 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,2,0,0,0,0|1,0,1]=4 5537 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,2,0,0,0,0|1,0,1]=4 5538 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,2,0,0,0,0|1,0,1]=4 5539 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,2,0,0,0,0|1,0,0]=3 5540 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,2,0,0,0,0|1,0,0]=3 5541 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,2,0,0,0,0|1,0,0]=3 5542 B10R0.44 CCC(C)CC(=O)CC(F)F 1458a_100000708755_100011934356 [0,2,0,0,0,0|2,0,0]=4 5543 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,2,0,0,0,0|2,0,0]=4 5544 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,2,0,0,0,0|1,0,0]=3 5545 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,2,0,0,0,0|2,0,0]=4 5546 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,2,0,0,0,0|1,0,0]=3 5547 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,2,0,0,0,0|1,0,0]=3 5548 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,2,0,0,0,0|1,0,0]=3 5549 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,2,0,0,0,0|1,0,0]=3 5550 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5551 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5552 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5553 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5554 B10R0.44 CCC(C)NC(=O)CN(C)C 11a_100000209981_100000750896 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.44 CCC(C)NC(=O)CN(C)C 2230a_100102631434_100000182745 [0,2,0,0,0,0|2,0,0]=4 5556 B10R0.44 CCC(C)NC(=O)CN(C)C 240690a_100000209981_100000750896 [0,2,0,0,0,0|2,0,0]=4 5557 B10R0.44 CCC(C)NC(=O)CN(C)C 269982a_100102631434_100000182745 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.44 CCC(C)NC(=O)CN(C)C 527a_100000209981_100000750896 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,2,0,0,0,0|2,0,0]=4 5560 B10R0.44 CCC(C)NC(=O)C[S+](C)C 11a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5561 B10R0.44 CCC(C)NC(=O)C[S+](C)C 1626a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5562 B10R0.44 CCC(C)NC(=O)C[S+](C)C 240690a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5563 B10R0.44 CCC(C)NC(=O)C[S+](C)C 527a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [0,2,0,0,0,0|2,0,0]=4 5565 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [0,2,0,0,0,0|2,0,0]=4 5566 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [0,2,0,0,0,0|2,0,0]=4 5568 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [0,2,0,0,0,0|2,0,0]=4 5569 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,2,0,0,0,0|1,0,1]=4 5570 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,2,0,0,0,0|1,0,1]=4 5571 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,2,0,0,0,0|1,0,1]=4 5572 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,2,0,0,0,0|1,0,0]=3 5573 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,2,0,0,0,0|1,0,0]=3 5574 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,2,0,0,0,0|2,0,0]=4 5575 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,2,0,0,0,0|2,0,0]=4 5576 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,2,0,0,0,0|2,0,0]=4 5577 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,2,0,0,0,0|2,0,0]=4 5579 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,2,0,0,0,0|2,0,0]=4 5580 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,2,0,0,0,0|1,0,0]=3 5581 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,2,0,0,0,0|2,0,0]=4 5582 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210202 [0,2,0,0,0,0|2,0,0]=4 5583 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000225621_100000183996 [0,2,0,0,0,0|2,0,0]=4 5584 B10R0.44 CCN(C)CC(=O)NC(C)C 240690a_100138425928_100116209913 [0,2,0,0,0,0|2,0,0]=4 5585 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000204670 [0,2,0,0,0,0|2,0,0]=4 5586 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000225621_100000183996 [0,2,0,0,0,0|2,0,0]=4 5587 B10R0.44 CCN(C)CC(=O)NC(C)C 527a_100138425928_100116209913 [0,2,0,0,0,0|2,0,0]=4 5588 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,2,0,0,0,0|1,0,0]=3 5589 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,2,0,0,0,0|1,0,0]=3 5590 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,2,0,0,0,0|1,0,1]=4 5591 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,2,0,0,0,0|1,0,1]=4 5592 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,2,0,0,0,0|1,0,1]=4 5593 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,2,0,0,0,0|1,0,0]=3 5594 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,2,0,0,0,0|2,0,0]=4 5595 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 5596 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,2,0,0,0,0|1,0,1]=4 5598 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,2,0,0,0,0|1,0,0]=3 5599 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|1,0,1]=4 5600 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|1,0,1]=4 5601 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,2,0,0,0,0|1,0,0]=3 5602 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,2,0,0,0,0|1,0,0]=3 5603 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [0,2,0,0,0,0|2,0,0]=4 5604 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 5605 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 5606 B10R0.44 C[C@H](CF)NC(=O)CN(C)C 11a_100102880703_100000750896 [0,2,0,0,0,0|2,0,0]=4 5607 B10R0.44 C[C@H](CF)NC(=O)CN(C)C 240690a_100102880703_100000750896 [0,2,0,0,0,0|2,0,0]=4 5608 B10R0.44 C[C@H](CF)NC(=O)CN(C)C 527a_100102880703_100000750896 [0,2,0,0,0,0|2,0,0]=4 5609 B10R0.44 C[C@H](CF)NC(=O)C[C@@H](C)O 240690a_100102880703_100011933948 [0,2,0,0,0,0|2,0,0]=4 5610 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 11a_100102880703_200159257847 [0,2,0,0,0,0|2,0,0]=4 5611 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 1626a_100102880703_200159257847 [0,2,0,0,0,0|2,0,0]=4 5612 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 240690a_100102880703_200159257847 [0,2,0,0,0,0|2,0,0]=4 5613 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 527a_100102880703_200159257847 [0,2,0,0,0,0|2,0,0]=4 5614 B10R0.44 C[C@H](CO)NC(=O)CN(C)C 240690a_100000737577_100000750896 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.44 C[C@H](CO)NC(=O)CN(C)C 527a_100000737577_100000750896 [0,2,0,0,0,0|2,0,0]=4 5616 B10R0.44 C[C@H](CO)NC(=O)C[C@@H](C)O 240690a_100000737577_100011933948 [0,2,0,0,0,0|2,0,0]=4 5617 B10R0.44 C[C@H](CO)NC(=O)C[S+](C)C 240690a_100000737577_200159257847 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.44 C[C@H](CO)NC(=O)C[S+](C)C 527a_100000737577_200159257847 [0,2,0,0,0,0|2,0,0]=4 5619 B10R0.81 C#CCCC(=O)C(C)C(C)C 1458a_100000755409_100000753159 [0,2,0,0,0,0|1,0,1]=4 5620 B10R0.81 C#CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000753159 [0,2,0,0,0,0|1,0,1]=4 5621 B10R0.81 C#CCNC(=O)C(C)C(C)C 11a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 5622 B10R0.81 C#CCNC(=O)C(C)C(C)C 1626a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 5623 B10R0.81 C#CCNC(=O)C(C)C(C)C 240690a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 5624 B10R0.81 C#CCNC(=O)C(C)C(C)C 527a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 5625 B10R0.81 C#CCNC(=O)[C@H](O)C(C)C 240690a_100000212058_100000691806 [0,2,0,0,0,0|1,0,1]=4 5626 B10R0.81 C/C=C/CC(=O)C(C)C(C)C 1458a_100000755409_100102629194 [0,2,0,0,0,0|1,0,1]=4 5627 B10R0.81 C/C=C/CC(=O)[C@H](O)C(C)C 1458a_100000691806_100102629194 [0,2,0,0,0,0|1,0,1]=4 5628 B10R0.81 C=CCCC(=O)C(C)C(C)C 1458a_100000755409_100000754431 [0,2,0,0,0,0|1,0,1]=4 5629 B10R0.81 C=CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000754431 [0,2,0,0,0,0|1,0,1]=4 5630 B10R0.81 C=CCNC(=O)C(C)C(C)C 1626a_100020586998_100000755409 [0,2,0,0,0,0|1,0,1]=4 5631 B10R0.81 C=CCNC(=O)C(C)C(C)C 240690a_100020586998_100000755409 [0,2,0,0,0,0|1,0,1]=4 5632 B10R0.81 C=CCNC(=O)C(C)C(C)C 527a_100020586998_100000755409 [0,2,0,0,0,0|1,0,1]=4 5633 B10R0.81 C=CCNC(=O)[C@H](O)C(C)C 240690a_100020586998_100000691806 [0,2,0,0,0,0|1,0,1]=4 5634 B10R0.81 CC#CCC(=O)C(C)C(C)C 1458a_100000755409_100000748600 [0,2,0,0,0,0|1,0,1]=4 5635 B10R0.81 CC#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748600 [0,2,0,0,0,0|1,0,1]=4 5636 B10R0.81 CC(C)C(C)C(=O)CCC#N 1458a_100000755409_100011215226 [0,2,0,0,0,0|1,0,1]=4 5637 B10R0.81 CC(C)C(C)C(=O)CCCF 1458a_100000755409_100011934791 [0,2,0,0,0,0|1,0,0]=3 5638 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [0,2,0,0,0,0|1,0,0]=3 5639 B10R0.81 CC(C)C(C)C(=O)NCC#N 1626a_100000734998_100000755409 [0,2,0,0,0,0|1,0,1]=4 5640 B10R0.81 CC(C)C(C)C(=O)NCC#N 527a_100000734998_100000755409 [0,2,0,0,0,0|1,0,1]=4 5641 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 5642 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 5643 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 5644 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 5645 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [0,2,0,0,0,0|1,0,0]=3 5646 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [0,2,0,0,0,0|1,0,0]=3 5647 B10R0.81 CC(C)N(C)C(=O)NCCF 273464a_100000724931_200000211004 [0,2,0,0,0,0|2,0,0]=4 5648 B10R0.81 CC(C)N(C)C(=O)NCCO 273464a_100000210304_200000211004 [0,2,0,0,0,0|2,0,0]=4 5649 B10R0.81 CC(C)[C@@H](O)C(=O)CCC#N 1458a_100000691806_100011215226 [0,2,0,0,0,0|1,0,1]=4 5650 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [0,2,0,0,0,0|1,0,0]=3 5651 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,2,0,0,0,0|1,0,0]=3 5652 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [0,2,0,0,0,0|1,0,0]=3 5653 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [0,2,0,0,0,0|1,0,0]=3 5654 B10R0.81 CC=CCC(=O)C(C)C(C)C 1458a_100000755409_100000070051 [0,2,0,0,0,0|1,0,1]=4 5655 B10R0.81 CC=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000070051 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.81 CCC=CC(=O)N(C)C(C)C 11a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 5657 B10R0.81 CCC=CC(=O)N(C)C(C)C 1626a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 5658 B10R0.81 CCC=CC(=O)N(C)C(C)C 240690a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 5659 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|1,0,0]=3 5660 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5661 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5662 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5663 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5664 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|1,0,0]=3 5666 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,2,0,0,0,0|1,0,1]=4 5667 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5668 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5669 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5670 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5671 B10R0.81 CCCNC(=O)C(C)N(C)C 2230a_100102631434_100000230305 [0,2,0,0,0,0|2,0,0]=4 5672 B10R0.81 CCCNC(=O)C(C)N(C)C 269982a_100102631434_100000230305 [0,2,0,0,0,0|2,0,0]=4 5673 B10R0.81 CCCNC(=O)N(C)C(C)C 2708a_100020643023_200000211004 [0,2,0,0,0,0|2,0,0]=4 5674 B10R0.81 CCCNC(=O)N(C)C(C)C 273464a_100020643023_200000211004 [0,2,0,0,0,0|2,0,0]=4 5675 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 240690a_100020643023_100009822176 [0,2,0,0,0,0|2,0,0]=4 5676 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 527a_100020643023_100009822176 [0,2,0,0,0,0|2,0,0]=4 5677 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,2,0,0,0,0|1,0,0]=3 5678 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|1,0,1]=4 5679 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [0,2,0,0,0,0|1,0,0]=3 5680 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [0,2,0,0,0,0|1,0,0]=3 5681 B10R0.81 CCNCC(=O)N(C)C(C)C 2230a_100015525214_100000230190 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.81 CCNNC(=O)C(C)C(C)C 22a_100000756455_100000755409 [0,2,0,0,0,0|1,0,0]=3 5683 B10R0.81 CCNNC(=O)[C@H](C)N(C)C 22a_100000756455_100009822176 [0,2,0,0,0,0|2,0,0]=4 5684 B10R0.81 CCNNC(=O)[C@H](O)C(C)C 22a_100000756455_100000691806 [0,2,0,0,0,0|1,0,0]=3 5685 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|1,0,1]=4 5686 B10R0.81 CCOCC(=O)N(C)C(C)C 11a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 5687 B10R0.81 CCOCC(=O)N(C)C(C)C 1626a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 5688 B10R0.81 CCOCC(=O)N(C)C(C)C 240690a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 5689 B10R0.81 CCOCC(=O)N(C)C(C)C 34a_100121572206_100000230190 [0,2,0,0,0,0|1,0,0]=3 5690 B10R0.81 CCOCC(=O)N(C)C(C)C 527a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 5691 B10R0.81 CCOCN(C)C(C)C(C)C 269982a_100000228512_100000739092 [0,2,0,0,0,0|2,0,0]=4 5692 B10R0.81 CCSCC(=O)N(C)C(C)C 11a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 5693 B10R0.81 CCSCC(=O)N(C)C(C)C 1626a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 5694 B10R0.81 CCSCC(=O)N(C)C(C)C 240690a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 5695 B10R0.81 CCSCC(=O)N(C)C(C)C 527a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 5696 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000210202_100000230190 [0,2,0,0,0,0|1,1,0]=4 5697 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000230190_100000210202 [0,2,0,0,0,0|1,1,0]=4 5698 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [0,2,0,0,0,0|1,0,0]=3 5699 B10R0.81 COCCC(=O)N(C)C(C)C 11a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 5700 B10R0.81 COCCC(=O)N(C)C(C)C 1626a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 5701 B10R0.81 COCCC(=O)N(C)C(C)C 240690a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 5702 B10R0.81 COCCC(=O)N(C)C(C)C 527a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 5703 B10R0.81 COCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000233755 [0,2,0,0,0,0|2,0,0]=4 5704 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,2,0,0,0,0|1,0,0]=3 5705 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [0,2,0,0,0,0|1,0,0]=3 5706 B10R0.81 CSCCC(=O)N(C)C(C)C 11a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 5707 B10R0.81 CSCCC(=O)N(C)C(C)C 1626a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.81 CSCCC(=O)N(C)C(C)C 240690a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 5709 B10R0.81 CSCCC(=O)N(C)C(C)C 527a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 5710 B10R0.81 CSCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000751147 [0,2,0,0,0,0|2,0,0]=4 5711 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,2,0,0,0,0|1,0,0]=3 5712 B10R0.81 C[C@@H](C(=O)CCCF)N(C)C 1458a_100009822176_100011934791 [0,2,0,0,0,0|2,0,0]=4 5713 B10R0.81 C[C@@H](C(=O)CCCO)N(C)C 1458a_100009822176_100011215043 [0,2,0,0,0,0|2,0,0]=4 5714 B10R0.81 C[C@@H](C(=O)NCCF)N(C)C 240690a_100000724931_100009822176 [0,2,0,0,0,0|2,0,0]=4 5715 B10R0.81 C[C@@H](C(=O)NCCF)N(C)C 527a_100000724931_100009822176 [0,2,0,0,0,0|2,0,0]=4 5716 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 240690a_100000210304_100009822176 [0,2,0,0,0,0|2,0,0]=4 5717 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 527a_100000210304_100009822176 [0,2,0,0,0,0|2,0,0]=4 5718 B10R0.87 C#CC(CC(C)C)OCCC 34a_100011215986_100000210303 [0,2,0,0,0,0|1,0,1]=4 5719 B10R0.87 C#CC(CC(C)C)OCCC 7a_100011215986_100000210303 [0,2,0,0,0,0|1,0,1]=4 5720 B10R0.87 C#CC(CC(C)C)OCCF 34a_100011215986_100011217306 [0,2,0,0,0,0|1,0,1]=4 5721 B10R0.87 C#CC(CC(C)C)OCCF 7a_100011215986_100011217306 [0,2,0,0,0,0|1,0,1]=4 5722 B10R0.87 C#CC(CC(C)C)OCCO 34a_100011215986_100000211926 [0,2,0,0,0,0|1,0,1]=4 5723 B10R0.87 C#CC(CC(C)C)OCCO 7a_100011215986_100000211926 [0,2,0,0,0,0|1,0,1]=4 5724 B10R0.87 C#CC(CC(C)C)OCSC 34a_100011215986_100011218213 [0,2,0,0,0,0|1,0,1]=4 5725 B10R0.87 C=CC(CC(C)C)OCCC 34a_100012186643_100000210303 [0,2,0,0,0,0|1,0,1]=4 5726 B10R0.87 C=CC(CC(C)C)OCCC 7a_100012186643_100000210303 [0,2,0,0,0,0|1,0,1]=4 5727 B10R0.87 C=CC(CC(C)C)OCCF 34a_100012186643_100011217306 [0,2,0,0,0,0|1,0,1]=4 5728 B10R0.87 C=CC(CC(C)C)OCCF 7a_100012186643_100011217306 [0,2,0,0,0,0|1,0,1]=4 5729 B10R0.87 C=CC(CC(C)C)OCCO 34a_100012186643_100000211926 [0,2,0,0,0,0|1,0,1]=4 5730 B10R0.87 C=CC(CC(C)C)OCCO 7a_100012186643_100000211926 [0,2,0,0,0,0|1,0,1]=4 5731 B10R0.87 C=CC(CC(C)C)OCSC 34a_100012186643_100011218213 [0,2,0,0,0,0|1,0,1]=4 5732 B10R0.87 CC(C)CC(C#N)OCCF 34a_200011294978_100011217306 [0,2,0,0,0,0|1,0,1]=4 5733 B10R0.87 CC(C)CC(C#N)OCCF 7a_200011294978_100011217306 [0,2,0,0,0,0|1,0,1]=4 5734 B10R0.87 CC(C)CC(C#N)OCCO 34a_200011294978_100000211926 [0,2,0,0,0,0|1,0,1]=4 5735 B10R0.87 CC(C)CC(C#N)OCCO 7a_200011294978_100000211926 [0,2,0,0,0,0|1,0,1]=4 5736 B10R0.87 CCCOC(C#N)CC(C)C 34a_200011294978_100000210303 [0,2,0,0,0,0|1,0,1]=4 5737 B10R0.87 CCCOC(C#N)CC(C)C 7a_200011294978_100000210303 [0,2,0,0,0,0|1,0,1]=4 5738 B10R0.87 CCNN=C(CC)CC(C)C 4a_100000756455_100011218768 [0,2,0,0,0,0|2,0,0]=4 5739 B10R0.87 CCOCC(CC)CC(C)C 34a_100012186708_100000210202 [0,2,0,0,0,0|1,0,1]=4 5740 B10R0.87 CCOCC(CC)CC(C)C 7a_100012186708_100000210202 [0,2,0,0,0,0|1,0,1]=4 5741 B10R0.87 CCOCC(CN)CC(C)C 34a_200000723437_100000210202 [0,2,0,0,0,0|1,0,1]=4 5742 B10R0.87 CCOCN(CC)CC(C)C 269982a_100000738554_100000739092 [0,2,0,0,0,0|2,0,0]=4 5743 B10R0.87 CSCOC(C#N)CC(C)C 34a_200011294978_100011218213 [0,2,0,0,0,0|1,0,1]=4 5744 B10R0.122 CC(C)CS(=O)(=O)NCCF 270084a_100000724931_100000748289 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.122 CC(C)CS(=O)(=O)NCCF 274078a_100000724931_100000748289 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.122 CC(C)CS(=O)(=O)NCCO 270084a_100000210304_100000748289 [0,2,0,0,0,0|2,0,0]=4 5747 B10R0.122 CC(C)CS(=O)(=O)NCCO 274078a_100000210304_100000748289 [0,2,0,0,0,0|2,0,0]=4 5748 B10R0.122 CCCNS(=O)(=O)CC(C)C 270084a_100020643023_100000748289 [0,2,0,0,0,0|2,0,0]=4 5749 B10R0.122 CCCNS(=O)(=O)CC(C)C 274078a_100020643023_100000748289 [0,2,0,0,0,0|2,0,0]=4 5750 B10R0.13 C=C(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748629 [0,2,0,0,0,0|1,0,1]=4 5751 B10R0.13 C=C(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748629 [0,2,0,0,0,0|1,0,1]=4 5752 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,2,0,0,0,0|1,0,1]=4 5753 B10R0.13 CC(C)C(C)C(=O)CC(F)F 1458a_100000755409_100011934356 [0,2,0,0,0,0|2,0,0]=4 5754 B10R0.13 CC(C)CC(=O)C(=O)N(C)C 1458a_100011218876_100000210624 [0,2,0,0,0,0|2,0,0]=4 5755 B10R0.13 CC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000210624 [0,2,0,0,0,0|1,0,0]=3 5756 B10R0.13 CC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000210554 [0,2,0,0,0,0|1,0,0]=3 5757 B10R0.13 CC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000210554 [0,2,0,0,0,0|1,0,0]=3 5758 B10R0.13 CC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000210554 [0,2,0,0,0,0|1,0,0]=3 5759 B10R0.13 CC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000210554 [0,2,0,0,0,0|1,0,0]=3 5760 B10R0.13 CC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210624 [0,2,0,0,0,0|2,0,0]=4 5761 B10R0.13 CC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210624 [0,2,0,0,0,0|1,0,0]=3 5762 B10R0.13 CC(C)N(C)C(=O)CN(C)C 11a_200000211004_100000750896 [0,2,0,0,0,0|2,0,0]=4 5763 B10R0.13 CC(C)N(C)C(=O)CN(C)C 2230a_100102631434_100000230190 [0,2,0,0,0,0|2,0,0]=4 5764 B10R0.13 CC(C)N(C)C(=O)CN(C)C 240690a_200000211004_100000750896 [0,2,0,0,0,0|2,0,0]=4 5765 B10R0.13 CC(C)N(C)C(=O)CN(C)C 269982a_100102631434_100000230190 [0,2,0,0,0,0|2,0,0]=4 5766 B10R0.13 CC(C)N(C)C(=O)CN(C)C 527a_200000211004_100000750896 [0,2,0,0,0,0|2,0,0]=4 5767 B10R0.13 CC(C)N(C)C(=O)C[C@@H](C)O 240690a_200000211004_100011933948 [0,2,0,0,0,0|2,0,0]=4 5768 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 11a_200000211004_200159257847 [0,2,0,0,0,0|2,0,0]=4 5769 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 1626a_200000211004_200159257847 [0,2,0,0,0,0|2,0,0]=4 5770 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 240690a_200000211004_200159257847 [0,2,0,0,0,0|2,0,0]=4 5771 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 527a_200000211004_200159257847 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.13 CC(C)NC(=O)C(=O)C(C)C 1458a_100011220036_100000210206 [0,2,0,0,0,0|1,0,1]=4 5773 B10R0.13 CC(C)NC(=O)C(C)C(C)C 11a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 5774 B10R0.13 CC(C)NC(=O)C(C)C(C)C 1626a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 5775 B10R0.13 CC(C)NC(=O)C(C)C(C)C 240690a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 5776 B10R0.13 CC(C)NC(=O)C(C)C(C)C 527a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 5777 B10R0.13 CC(C)NC(=O)C(C)N(C)C 2230a_100102631434_100000195394 [0,2,0,0,0,0|2,0,0]=4 5778 B10R0.13 CC(C)NC(=O)C(C)N(C)C 269982a_100102631434_100000195394 [0,2,0,0,0,0|2,0,0]=4 5779 B10R0.13 CC(C)NC(=O)N(C)C(C)C 2708a_100138425928_200000211004 [0,2,0,0,0,0|2,0,0]=4 5780 B10R0.13 CC(C)NC(=O)N(C)C(C)C 273464a_100138425928_200000211004 [0,2,0,0,0,0|2,0,0]=4 5781 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 240690a_100138425928_100009822176 [0,2,0,0,0,0|2,0,0]=4 5782 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 527a_100138425928_100009822176 [0,2,0,0,0,0|2,0,0]=4 5783 B10R0.13 CC(C)NC(=O)[C@H](O)C(C)C 240690a_100138425928_100000691806 [0,2,0,0,0,0|1,0,0]=3 5784 B10R0.13 CC(C)[C@@H](O)C(=O)CC(F)F 1458a_100000691806_100011934356 [0,2,0,0,0,0|2,0,0]=4 5785 B10R0.13 CC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218427 [0,2,0,0,0,0|1,0,0]=3 5786 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 5787 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 5788 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [0,2,0,0,0,0|2,0,0]=4 5789 B10R0.35 CCCC(=O)N(C)C(C)CC 11a_100000741768_100000211992 [0,2,0,0,0,0|2,0,0]=4 5790 B10R0.35 CCCC(=O)N(C)C(C)CC 1626a_100000741768_100000211992 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.35 CCCC(=O)N(C)C(C)CC 240690a_100000741768_100000211992 [0,2,0,0,0,0|2,0,0]=4 5792 B10R0.35 CCCC(=O)N(C)C(C)CC 527a_100000741768_100000211992 [0,2,0,0,0,0|2,0,0]=4 5793 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,2,0,0,0,0|2,0,0]=4 5794 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,2,0,0,0,0|2,0,0]=4 5795 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,2,0,0,0,0|2,0,0]=4 5796 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,2,0,0,0,0|1,0,1]=4 5797 B10R0.35 CCNC(=O)C(C)N(C)CC 2230a_100000225621_100000230173 [0,2,0,0,0,0|2,0,0]=4 5798 B10R0.35 CCNC(=O)C(C)N(C)CC 240690a_100015525214_100011281945 [0,2,0,0,0,0|2,0,0]=4 5799 B10R0.35 CCNC(=O)C(C)N(C)CC 269982a_100000225621_100000230173 [0,2,0,0,0,0|2,0,0]=4 5800 B10R0.35 CCNC(=O)C(C)N(C)CC 527a_100015525214_100011281945 [0,2,0,0,0,0|2,0,0]=4 5801 B10R0.35 CCNC(=O)N(C)C(C)CC 2708a_100015525214_100000741768 [0,2,0,0,0,0|2,0,0]=4 5802 B10R0.35 CCNC(=O)N(C)C(C)CC 273464a_100015525214_100000741768 [0,2,0,0,0,0|2,0,0]=4 5803 B10R0.35 CCNC(=O)N(C)C(C)CO 2708a_100015525214_100000693034 [0,2,0,0,0,0|2,0,0]=4 5804 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [0,2,0,0,0,0|2,0,0]=4 5805 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,2,0,0,0,0|0,0,1]=3 5806 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,2,0,0,0,0|0,0,1]=3 5807 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,2,0,0,0,0|0,0,1]=3 5808 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,2,0,0,0,0|0,0,1]=3 5809 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,2,0,0,0,0|0,0,1]=3 5810 B10R0.35 CCOC(=O)C(=O)N(C)CC 11a_100000225621_100014798877 [0,2,0,0,0,0|1,0,1]=4 5811 B10R0.35 CCOC(=O)C(=O)N(C)CC 1626a_100000225621_100014798877 [0,2,0,0,0,0|1,0,1]=4 5812 B10R0.35 CCOC(=O)C(=O)N(C)CC 240690a_100000225621_100014798877 [0,2,0,0,0,0|1,0,1]=4 5813 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|1,0,1]=4 5814 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|1,0,1]=4 5815 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [0,2,0,0,0,0|1,0,1]=4 5816 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [0,2,0,0,0,0|1,0,1]=4 5817 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,2,0,0,0,0|1,0,1]=4 5818 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 5819 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 5820 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 5821 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,2,0,0,0,0|1,0,0]=3 5822 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,2,0,0,0,0|1,0,0]=3 5823 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|1,0,1]=4 5824 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [0,2,0,0,0,0|1,0,1]=4 5825 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,2,0,0,0,0|1,0,0]=3 5826 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,2,0,0,0,0|1,0,0]=3 5827 B10R0.35 CCOC(C)C(C)C(C)CC 7a_200011290770_100000210202 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.36 CCCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210303 [0,2,0,0,0,0|2,0,0]=4 5829 B10R0.36 CCNC(=O)C(C)(C)N(C)C 240690a_100015525214_100000688961 [0,2,0,0,0,0|2,0,0]=4 5830 B10R0.36 CCNC(=O)C(C)(C)N(C)C 527a_100015525214_100000688961 [0,2,0,0,0,0|2,0,0]=4 5831 B10R0.36 CCOC(=O)C(C)(C)C(=O)C 1458a_100000694683_200000210301 [0,2,0,0,0,0|1,0,1]=4 5832 B10R0.36 CCOC(=O)C(C)(C)C(=O)[13CH3] 1458a_100000694683_200025704644 [0,2,0,0,0,0|1,0,1]=4 5833 B10R0.36 CCOC(=O)C(C)(C)N(C)C 2230a_100102631434_100011216345 [0,2,0,0,0,0|1,0,0]=3 5834 B10R0.36 CCOC(=O)C(C)(C)N(C)C 269982a_100102631434_100048669870 [0,2,0,0,0,0|1,0,0]=3 5835 B10R0.36 CCOC(=O)C(C)(O)C(=O)C 1458a_200009913003_200000210301 [0,2,0,0,0,0|1,0,1]=4 5836 B10R0.36 CCOC(=O)C(C)(O)C(=O)[13CH3] 1458a_200009913003_200025704644 [0,2,0,0,0,0|1,0,1]=4 5837 B10R0.36 CCOC(=O)C(F)(F)N(C)C 269982a_100102631434_100000210910 [0,2,0,0,0,0|1,0,0]=3 5838 B10R0.56 CCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000758301 [0,2,0,0,0,0|1,0,0]=3 5839 B10R0.56 CCC(C)C(=O)N(C)C(C)C 11a_200000211004_100011192722 [0,2,0,0,0,0|2,0,0]=4 5840 B10R0.56 CCC(C)C(=O)N(C)C(C)C 1626a_200000211004_100011192722 [0,2,0,0,0,0|2,0,0]=4 5841 B10R0.56 CCC(C)C(=O)N(C)C(C)C 240690a_200000211004_100011192722 [0,2,0,0,0,0|2,0,0]=4 5842 B10R0.56 CCC(C)C(=O)N(C)C(C)C 527a_200000211004_100011192722 [0,2,0,0,0,0|2,0,0]=4 5843 B10R0.56 CCC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000758301 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.56 CCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000758301 [0,2,0,0,0,0|1,0,0]=3 5845 B10R0.56 CCC(O)C(=O)N(C)C(C)C 240690a_200000211004_100011196387 [0,2,0,0,0,0|2,0,0]=4 5846 B10R0.56 CCN(C)C(=O)C(C)C(C)C 11a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 5847 B10R0.56 CCN(C)C(=O)C(C)C(C)C 1626a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 5848 B10R0.56 CCN(C)C(=O)C(C)C(C)C 240690a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 5849 B10R0.56 CCN(C)C(=O)C(C)C(C)C 527a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 5850 B10R0.56 CCN(C)C(=O)C(C)N(C)C 2230a_100102631434_200012002205 [0,2,0,0,0,0|2,0,0]=4 5851 B10R0.56 CCN(C)C(=O)C(C)N(C)C 269982a_100102631434_200012002205 [0,2,0,0,0,0|2,0,0]=4 5852 B10R0.56 CCN(C)C(=O)[C@H](C)N(C)C 240690a_100000225621_100009822176 [0,2,0,0,0,0|2,0,0]=4 5853 B10R0.56 CCN(C)C(=O)[C@H](C)N(C)C 527a_100000225621_100009822176 [0,2,0,0,0,0|2,0,0]=4 5854 B10R0.56 CCN(C)C(=O)[C@H](O)C(C)C 240690a_100000225621_100000691806 [0,2,0,0,0,0|1,0,0]=3 5855 B10R0.100 CC(C)(C)[C@H](O)C(=O)CCF 1458a_100009816492_100011217306 [0,2,0,0,0,0|2,0,0]=4 5856 B10R0.100 CC(C)(C)[C@H](O)C(=O)CCO 1458a_100009816492_100000211926 [0,2,0,0,0,0|2,0,0]=4 5857 B10R0.100 CCCC(=O)N(C)C(C)(C)C 11a_100011215553_100000211992 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.100 CCCC(=O)N(C)C(C)(C)C 1626a_100011215553_100000211992 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.100 CCCC(=O)N(C)C(C)(C)C 240690a_100011215553_100000211992 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.100 CCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210303 [0,2,0,0,0,0|1,0,0]=3 5861 B10R0.100 CCNC(=O)N(C)C(C)(C)C 2708a_100015525214_100011215553 [0,2,0,0,0,0|2,0,0]=4 5862 B10R0.100 CCNC(=O)N(C)C(C)(C)C 273464a_100015525214_100011215553 [0,2,0,0,0,0|2,0,0]=4 5863 B10R0.100 CCNC(=O)[C@@H](O)C(C)(C)C 240690a_100015525214_100009816492 [0,2,0,0,0,0|1,0,0]=3 5864 B10R0.100 CNNC(=O)[C@@H](O)C(C)(C)C 22a_100016993582_100009816492 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.101 CCCC(=O)C(CC)N(C)C 1458a_100000689100_100000210303 [0,2,0,0,0,0|2,0,0]=4 5866 B10R0.101 CCCC(=O)N(CC)C(C)C 11a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 5867 B10R0.101 CCCC(=O)N(CC)C(C)C 1626a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.101 CCCC(=O)N(CC)C(C)C 240690a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 5869 B10R0.101 CCCC(=O)N(CC)C(C)C 527a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 5870 B10R0.101 CCNC(=O)C(CC)N(C)C 240690a_100015525214_100000689100 [0,2,0,0,0,0|2,0,0]=4 5871 B10R0.101 CCNC(=O)C(CC)N(C)C 527a_100015525214_100000689100 [0,2,0,0,0,0|2,0,0]=4 5872 B10R0.101 CCNC(=O)N(CC)C(C)C 2708a_100015525214_100000223864 [0,2,0,0,0,0|2,0,0]=4 5873 B10R0.101 CCNC(=O)N(CC)C(C)C 273464a_100015525214_100000223864 [0,2,0,0,0,0|2,0,0]=4 5874 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,2,0,0,0,0|1,0,1]=4 5875 B10R0.101 CCOC(=O)C(CC)N(C)C 2230a_100102631434_100000212269 [0,2,0,0,0,0|1,0,0]=3 5876 B10R0.101 CCOC(=O)C(CC)N(C)C 269982a_100102631434_100000212269 [0,2,0,0,0,0|1,0,0]=3 5877 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,2,0,0,0,0|1,0,1]=4 5878 B10R0.101 CCOC(=O)C(NC)C(C)C 34a_100102657272_100000740032 [0,2,0,0,0,0|0,0,0]=2 5879 B10R0.101 CCOC(=O)C(NC)C(C)C 7a_106832991635_100000740032 [0,2,0,0,0,0|0,0,0]=2 5880 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,2,0,0,0,0|1,0,1]=4 5881 B10R0.101 CCOC(=O)C(OC)C(C)C 34a_100138415774_100000740032 [0,2,0,0,0,0|0,0,0]=2 5882 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,2,0,0,0,0|1,0,1]=4 5883 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,2,0,0,0,0|1,0,1]=4 5884 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,2,0,0,0,0|1,0,1]=4 5885 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_100000740032_200000210301 [0,2,0,0,0,0|0,0,0]=2 5886 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_200000210301_100000740032 [0,2,0,0,0,0|0,0,0]=2 5887 B10R0.101 CCOC(=O)C(SC)N(C)C 269982a_100102631434_100009893047 [0,2,0,0,0,0|1,0,0]=3 5888 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,2,0,0,0,0|1,0,1]=4 5889 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,2,0,0,0,0|1,0,1]=4 5890 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_100000740032_200025704644 [0,2,0,0,0,0|0,0,0]=2 5891 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000740032 [0,2,0,0,0,0|0,0,0]=2 5892 B10R0.104 CCNS(=O)(=O)C(C)C(C)C 270084a_100015525214_100000765091 [0,2,0,0,0,0|2,0,0]=4 5893 B10R0.104 CCNS(=O)(=O)C(C)C(C)C 274078a_100015525214_100000765091 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [0,2,0,0,0,0|1,0,1]=4 5895 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [0,2,0,0,0,0|1,0,1]=4 5896 B10R0.23 CCOC(CC(C)C)C(C)C 34a_200011219802_100000210202 [0,2,0,0,0,0|1,0,1]=4 5897 B10R0.23 CCOC(CC(C)C)C(C)C 7a_200011219802_100000210202 [0,2,0,0,0,0|1,0,1]=4 5898 B10R0.29 CCOC(CC)CC(C)CC 7a_200011216566_100000210202 [0,2,0,0,0,0|1,0,1]=4 5899 B10R0.70 C#CC(CC(C)C)OC(C)C 34a_100011215986_100000210206 [0,2,0,0,0,0|1,0,1]=4 5900 B10R0.70 C#CC(CC(C)C)OC(C)C 7a_100011215986_100000210206 [0,2,0,0,0,0|1,0,1]=4 5901 B10R0.70 C=CC(CC(C)C)OC(C)C 34a_100012186643_100000210206 [0,2,0,0,0,0|1,0,1]=4 5902 B10R0.70 C=CC(CC(C)C)OC(C)C 7a_100012186643_100000210206 [0,2,0,0,0,0|1,0,1]=4 5903 B10R0.70 CC(C)CC(C#N)OC(C)C 34a_200011294978_100000210206 [0,2,0,0,0,0|1,0,1]=4 5904 B10R0.70 CC(C)CC(C#N)OC(C)C 7a_200011294978_100000210206 [0,2,0,0,0,0|1,0,1]=4 5905 B10R0.79 CC=CC(CC(C)C)OCC 34a_100020643927_100000210202 [0,2,0,0,0,0|1,0,1]=4 5906 B10R0.79 CC=CC(CC(C)C)OCC 7a_100020643927_100000210202 [0,2,0,0,0,0|1,0,1]=4 5907 B10R0.79 CCCC(CC(C)C)OCC 34a_100011351045_100000210202 [0,2,0,0,0,0|1,0,1]=4 5908 B10R0.79 CCCC(CC(C)C)OCC 7a_100011351045_100000210202 [0,2,0,0,0,0|1,0,1]=4 5909 B10R0.102 C#CC(C)(CC(C)C)OCC 34a_100011215516_100000210202 [0,2,0,0,0,0|1,0,1]=4 5910 B10R0.102 C#CC(C)(CC(C)C)OCC 7a_100011215516_100000210202 [0,2,0,0,0,0|1,0,1]=4 5911 B10R0.102 CCOC(C)(CC)CC(C)C 7a_200011215086_100000210202 [0,2,0,0,0,0|1,0,1]=4 5912 B10R0.37 CCC(=O)C(=O)NC(C)(C)C 1458a_100000238687_100000210202 [0,2,0,0,0,0|2,0,0]=4 5913 B10R0.37 CCC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000758301 [0,2,0,0,0,0|1,0,0]=3 5914 B10R0.37 CCC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000758301 [0,2,0,0,0,0|1,0,0]=3 5915 B10R0.37 CCC(C)C(=O)C[N+](C)(C)C 1458a_100000033712_100000758301 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.37 CCC(C)C(=O)C[Si](C)(C)C 1458a_100011192722_100000233785 [0,2,0,0,0,0|1,1,0]=4 5917 B10R0.37 CCC(C)C(=O)C[Si](C)(C)C 1458a_100011218504_100000758301 [0,2,0,0,0,0|1,1,0]=4 5918 B10R0.37 CCC(C)C(=O)NC(C)(C)C 11a_100000715429_100011192722 [0,2,0,0,0,0|2,0,0]=4 5919 B10R0.37 CCC(C)C(=O)NC(C)(C)C 1626a_100000715429_100011192722 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.37 CCC(C)C(=O)NC(C)(C)C 240690a_100000715429_100011192722 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.37 CCC(C)C(=O)NC(C)(C)C 527a_100000715429_100011192722 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.37 CCC(O)C(=O)C[Si](C)(C)C 1458a_100011196387_100000233785 [0,2,0,0,0,0|1,1,0]=4 5923 B10R0.37 CCC(O)C(=O)NC(C)(C)C 240690a_100000715429_100011196387 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.37 CCN(C)C(=O)CC(C)(C)C 11a_100000225621_100000211214 [0,2,0,0,0,0|1,0,0]=3 5925 B10R0.37 CCN(C)C(=O)CC(C)(C)C 1626a_100000225621_100000211214 [0,2,0,0,0,0|1,0,0]=3 5926 B10R0.37 CCN(C)C(=O)CC(C)(C)C 240690a_100000225621_100000211214 [0,2,0,0,0,0|1,0,0]=3 5927 B10R0.37 CCN(C)C(=O)CC(C)(C)C 527a_100000225621_100000211214 [0,2,0,0,0,0|1,0,0]=3 5928 B10R0.37 CCN(C)C(=O)CC(C)(C)O 527a_100000225621_100000693243 [0,2,0,0,0,0|1,0,0]=3 5929 B10R0.37 CCN(C)C(=O)C[N+](C)(C)C 11a_100000225621_100000033712 [0,2,0,0,0,0|2,0,0]=4 5930 B10R0.37 CCN(C)C(=O)C[N+](C)(C)C 1626a_100000225621_100000033712 [0,2,0,0,0,0|2,0,0]=4 5931 B10R0.37 CCN(C)C(=O)C[N+](C)(C)C 240690a_100000225621_100000033712 [0,2,0,0,0,0|2,0,0]=4 5932 B10R0.37 CCN(C)C(=O)C[N+](C)(C)C 527a_100000225621_100000033712 [0,2,0,0,0,0|2,0,0]=4 5933 B10R0.37 CCN(C)C(=O)C[Si](C)(C)C 11a_100000225621_100011218504 [0,2,0,0,0,0|1,1,0]=4 5934 B10R0.37 CCN(C)C(=O)C[Si](C)(C)C 1626a_100000225621_100011218504 [0,2,0,0,0,0|1,1,0]=4 5935 B10R0.37 CCN(C)C(=O)NC(C)(C)C 273464a_100000715429_100000225621 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,2,0,0,0,0|1,0,1]=4 5937 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,2,0,0,0,0|1,0,1]=4 5938 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 5939 B10R0.46 C=CC(C)CC(=O)C(C)CC 1458a_100011934298_100000758301 [0,2,0,0,0,0|1,0,1]=4 5940 B10R0.46 C=CC(C)CC(=O)N(C)CC 11a_100000225621_100011934298 [0,2,0,0,0,0|1,0,1]=4 5941 B10R0.46 C=CC(C)CC(=O)N(C)CC 1626a_100000225621_100011934298 [0,2,0,0,0,0|1,0,1]=4 5942 B10R0.46 C=CC(C)CC(=O)N(C)CC 240690a_100000225621_100011934298 [0,2,0,0,0,0|1,0,1]=4 5943 B10R0.46 C=CC(C)CC(=O)N(C)CC 527a_100000225621_100011934298 [0,2,0,0,0,0|1,0,1]=4 5944 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,2,0,0,0,0|2,0,0]=4 5945 B10R0.46 CCC(C)C(=O)CN(C)CC 1458a_100116209913_100000758301 [0,2,0,0,0,0|2,0,0]=4 5946 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|1,0,0]=3 5947 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,2,0,0,0,0|1,0,0]=3 5948 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 5950 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 5952 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|2,0,0]=4 5955 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|1,0,0]=3 5956 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|1,0,0]=3 5957 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,2,0,0,0,0|2,0,0]=4 5958 B10R0.46 CCC(C)CC(=O)C(C)SC 1458a_100000149566_100000748023 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|1,0,0]=3 5960 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,2,0,0,0,0|2,0,0]=4 5961 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 5962 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 5963 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 5964 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 5965 B10R0.46 CCC(C)NC(=O)C(C)CC 11a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 5966 B10R0.46 CCC(C)NC(=O)C(C)CC 1626a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 5967 B10R0.46 CCC(C)NC(=O)C(C)CC 240690a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 5968 B10R0.46 CCC(C)NC(=O)C(C)CC 527a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 5969 B10R0.46 CCC(C)NC(=O)C(O)CC 240690a_100000209981_100011196387 [0,2,0,0,0,0|2,0,0]=4 5970 B10R0.46 CCC(C)NC(=O)N(C)CC 2708a_100000209981_100000225621 [0,2,0,0,0,0|2,0,0]=4 5971 B10R0.46 CCC(C)NC(=O)N(C)CC 273464a_100000209981_100000225621 [0,2,0,0,0,0|2,0,0]=4 5972 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|1,0,0]=3 5973 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,2,0,0,0,0|1,0,0]=3 5974 B10R0.46 CCC(O)C(=O)N[C@H](C)CF 240690a_100102880703_100011196387 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.46 CCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011196387 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|2,0,0]=4 5978 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|2,0,0]=4 5979 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 5980 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 5981 B10R0.46 CCN(C)C(=O)N[C@H](C)CF 273464a_100102880703_100000225621 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.46 CCN(C)C(=O)N[C@H](C)CO 273464a_100000737577_100000225621 [0,2,0,0,0,0|2,0,0]=4 5983 B10R0.46 CCN(C)CC(=O)N(C)CC 2230a_100000225621_100000738999 [0,2,0,0,0,0|2,0,0]=4 5984 B10R0.46 CCN(C)CC(=O)N(C)CC 240690a_100000225621_100116209913 [0,2,0,0,0,0|2,0,0]=4 5985 B10R0.46 CCN(C)CC(=O)N(C)CC 269982a_100000225621_100000738999 [0,2,0,0,0,0|2,0,0]=4 5986 B10R0.46 CCN(C)CC(=O)N(C)CC 527a_100000225621_100116209913 [0,2,0,0,0,0|2,0,0]=4 5987 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|2,0,0]=4 5988 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,2,0,0,0,0|2,0,0]=4 5989 B10R0.46 CC[C@H](C)CC(=O)C(C)SC 1458a_100000149566_100009816398 [0,2,0,0,0,0|2,0,0]=4 5990 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,2,0,0,0,0|2,0,0]=4 5991 B10R0.46 CNC(=O)C(=O)C[C@@H](C)CO 1458a_100011218921_100000059175 [0,2,0,0,0,0|2,0,0]=4 5992 B10R0.46 COC(C)C(=O)C[C@@H](C)CO 1458a_100000743197_100000059175 [0,2,0,0,0,0|2,0,0]=4 5993 B10R0.46 CSC(C)C(=O)C[C@@H](C)CO 1458a_100000149566_100000059175 [0,2,0,0,0,0|2,0,0]=4 5994 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,2,0,0,0,0|2,0,0]=4 5995 B10R0.63 CC(C)CC(=O)C(C)(C)CF 1458a_100000138116_100000210624 [0,2,0,0,0,0|2,0,0]=4 5996 B10R0.63 CC(C)CC(=O)C(C)(C)CO 1458a_100000749806_100000210624 [0,2,0,0,0,0|2,0,0]=4 5997 B10R0.63 CCC(C)(C)C(=O)CC(C)C 1458a_100000749717_100000210624 [0,2,0,0,0,0|1,0,0]=3 5998 B10R0.63 CCC(C)(C)C(=O)CC(C)O 1458a_100000749717_100011218427 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.63 CCC(C)(C)C(=O)NC(C)C 11a_100138425928_100000749717 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.63 CCC(C)(C)C(=O)NC(C)C 1626a_100138425928_100000749717 [0,2,0,0,0,0|2,0,0]=4 6001 B10R0.63 CCC(C)(C)C(=O)NC(C)C 240690a_100138425928_100000749717 [0,2,0,0,0,0|2,0,0]=4 6002 B10R0.63 CCC(C)(C)C(=O)NC(C)C 527a_100138425928_100000749717 [0,2,0,0,0,0|2,0,0]=4 6003 B10R0.63 CCC(C)(O)C(=O)CC(C)C 1458a_100011219770_100000210624 [0,2,0,0,0,0|1,0,0]=3 6004 B10R0.63 CCC(C)(O)C(=O)CC(C)O 1458a_100011219770_100011218427 [0,2,0,0,0,0|2,0,0]=4 6005 B10R0.63 CCC(C)(O)C(=O)NC(C)C 240690a_100138425928_100011219770 [0,2,0,0,0,0|2,0,0]=4 6006 B10R0.63 CCC(F)(F)C(=O)CC(C)C 1458a_100000061896_100000210624 [0,2,0,0,0,0|1,0,0]=3 6007 B10R0.63 CCC(F)(F)C(=O)CC(C)O 1458a_100000061896_100011218427 [0,2,0,0,0,0|2,0,0]=4 6008 B10R0.63 CCC(F)(F)C(=O)NC(C)C 11a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 6009 B10R0.63 CCC(F)(F)C(=O)NC(C)C 1626a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 6010 B10R0.63 CCC(F)(F)C(=O)NC(C)C 240690a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 6011 B10R0.63 CCC(F)(F)C(=O)NC(C)C 527a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 6012 B10R0.63 COC(C)(C)C(=O)CC(C)C 1458a_100000753492_100000210624 [0,2,0,0,0,0|2,0,0]=4 6013 B10R0.141 CCN(C)S(=O)(=O)CC(C)C 270084a_100000225621_100000748289 [0,2,0,0,0,0|2,0,0]=4 6014 B10R0.141 CCN(C)S(=O)(=O)CC(C)C 274078a_100000225621_100000748289 [0,2,0,0,0,0|2,0,0]=4 6015 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000210554_100000210505 [0,2,0,0,0,0|1,0,0]=3 6016 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000211163_100000210624 [0,2,0,0,0,0|1,0,0]=3 6017 B10R0.144 CCC(CC)C(=O)CC(C)O 1458a_100000211163_100011218427 [0,2,0,0,0,0|2,0,0]=4 6018 B10R0.144 CCC(CC)C(=O)CN(C)C 1458a_100000750896_100000210505 [0,2,0,0,0,0|2,0,0]=4 6019 B10R0.144 CCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100000210505 [0,2,0,0,0,0|2,0,0]=4 6020 B10R0.144 CCC(CC)C(=O)C[S+](C)C 1458a_200159257847_100000210505 [0,2,0,0,0,0|2,0,0]=4 6021 B10R0.144 CCC(CC)C(=O)NC(C)C 11a_100138425928_100000211163 [0,2,0,0,0,0|2,0,0]=4 6022 B10R0.144 CCC(CC)C(=O)NC(C)C 1626a_100138425928_100000211163 [0,2,0,0,0,0|2,0,0]=4 6023 B10R0.144 CCC(CC)C(=O)NC(C)C 240690a_100138425928_100000211163 [0,2,0,0,0,0|2,0,0]=4 6024 B10R0.144 CCC(CC)C(=O)NC(C)C 527a_100138425928_100000211163 [0,2,0,0,0,0|2,0,0]=4 6025 B10R0.144 CCC(NC)C(=O)NC(C)C 2230a_106832991635_200011763342 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.144 CCC(NC)C(=O)NC(C)C 34a_100102657272_200011763342 [0,2,0,0,0,0|2,0,0]=4 6027 B10R0.144 CCC(NC)C(=O)NC(C)C 7a_106832991635_200011763342 [0,2,0,0,0,0|2,0,0]=4 6028 B10R0.144 CCC(OC)C(=O)CC(C)C 1458a_100000747056_100000210624 [0,2,0,0,0,0|1,0,0]=3 6029 B10R0.144 CCC(OC)C(=O)CC(C)O 1458a_100000747056_100011218427 [0,2,0,0,0,0|2,0,0]=4 6030 B10R0.144 CCC(OC)C(=O)NC(C)C 11a_100138425928_100000747056 [0,2,0,0,0,0|2,0,0]=4 6031 B10R0.144 CCC(OC)C(=O)NC(C)C 1626a_100138425928_100000747056 [0,2,0,0,0,0|2,0,0]=4 6032 B10R0.144 CCC(OC)C(=O)NC(C)C 240690a_100138425928_100000747056 [0,2,0,0,0,0|2,0,0]=4 6033 B10R0.144 CCC(OC)C(=O)NC(C)C 34a_100138415774_200011763342 [0,2,0,0,0,0|2,0,0]=4 6034 B10R0.144 CCC(OC)C(=O)NC(C)C 527a_100138425928_100000747056 [0,2,0,0,0,0|2,0,0]=4 6035 B10R0.144 CCC(SC)C(=O)NC(C)C 62a_200000210301_200011763342 [0,2,0,0,0,0|2,0,0]=4 6036 B10R0.144 CCC(SC)C(=O)NC(C)C 62a_200011763342_200000210301 [0,2,0,0,0,0|2,0,0]=4 6037 B10R0.144 CCC(S[13CH3])C(=O)NC(C)C 62a_200011763342_200025704644 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.144 CCC(S[13CH3])C(=O)NC(C)C 62a_200025704644_200011763342 [0,2,0,0,0,0|2,0,0]=4 6039 B10R0.144 CCN(CC)C(=O)CC(C)C 11a_100000724800_100000210554 [0,2,0,0,0,0|1,0,0]=3 6040 B10R0.144 CCN(CC)C(=O)CC(C)C 1626a_100000724800_100000210554 [0,2,0,0,0,0|1,0,0]=3 6041 B10R0.144 CCN(CC)C(=O)CC(C)C 240690a_100000724800_100000210554 [0,2,0,0,0,0|1,0,0]=3 6042 B10R0.144 CCN(CC)C(=O)CC(C)C 527a_100000724800_100000210554 [0,2,0,0,0,0|1,0,0]=3 6043 B10R0.144 CCN(CC)C(=O)CN(C)C 11a_100000724800_100000750896 [0,2,0,0,0,0|2,0,0]=4 6044 B10R0.144 CCN(CC)C(=O)CN(C)C 2230a_100000181456_200000210301 [0,2,0,0,0,0|2,0,0]=4 6045 B10R0.144 CCN(CC)C(=O)CN(C)C 2230a_100102631434_100000211521 [0,2,0,0,0,0|2,0,0]=4 6046 B10R0.144 CCN(CC)C(=O)CN(C)C 240690a_100000724800_100000750896 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.144 CCN(CC)C(=O)CN(C)C 269982a_100000181456_200000210301 [0,2,0,0,0,0|2,0,0]=4 6048 B10R0.144 CCN(CC)C(=O)CN(C)C 269982a_100102631434_100000211521 [0,2,0,0,0,0|2,0,0]=4 6049 B10R0.144 CCN(CC)C(=O)CN(C)C 527a_100000724800_100000750896 [0,2,0,0,0,0|2,0,0]=4 6050 B10R0.144 CCN(CC)C(=O)CN(C)[13CH3] 2230a_100000181456_200025704644 [0,2,0,0,0,0|2,0,0]=4 6051 B10R0.144 CCN(CC)C(=O)CN(C)[13CH3] 269982a_100000181456_200025704644 [0,2,0,0,0,0|2,0,0]=4 6052 B10R0.144 CCN(CC)C(=O)C[C@@H](C)O 240690a_100000724800_100011933948 [0,2,0,0,0,0|2,0,0]=4 6053 B10R0.144 CCN(CC)C(=O)C[S+](C)C 11a_100000724800_200159257847 [0,2,0,0,0,0|2,0,0]=4 6054 B10R0.144 CCN(CC)C(=O)C[S+](C)C 1626a_100000724800_200159257847 [0,2,0,0,0,0|2,0,0]=4 6055 B10R0.144 CCN(CC)C(=O)C[S+](C)C 240690a_100000724800_200159257847 [0,2,0,0,0,0|2,0,0]=4 6056 B10R0.144 CCN(CC)C(=O)C[S+](C)C 527a_100000724800_200159257847 [0,2,0,0,0,0|2,0,0]=4 6057 B10R0.144 CCN(CC)C(=O)NC(C)C 2708a_100138425928_100000724800 [0,2,0,0,0,0|2,0,0]=4 6058 B10R0.144 CCN(CC)C(=O)NC(C)C 273464a_100138425928_100000724800 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.144 COC(OC)C(=O)CC(C)C 1458a_100000046285_100000210624 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,2,0,0,0,0|1,0,1]=4 6061 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,2,0,0,0,0|1,0,1]=4 6062 B10R0.2 C#CCN(C)CC(=O)CCC 2230a_100000225692_100000747444 [0,2,0,0,0,0|2,0,0]=4 6063 B10R0.2 C#CCN(C)CC(=O)NCC 2230a_100000225692_100000183381 [0,2,0,0,0,0|2,0,0]=4 6064 B10R0.2 C#CCN(C)CC(=O)NCC 2230a_100000741943_100000038162 [0,2,0,0,0,0|2,0,0]=4 6065 B10R0.2 C#CCN(C)CC(=O)NCC 34a_100000225692_100000183381 [0,2,0,0,0,0|2,0,0]=4 6066 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,2,0,0,0,0|1,0,0]=3 6067 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,2,0,0,0,0|1,0,0]=3 6068 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,2,0,0,0,0|1,0,0]=3 6069 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,2,0,0,0,0|1,0,1]=4 6070 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,2,0,0,0,0|1,0,1]=4 6071 B10R0.2 C=CCN(C)CC(=O)CCC 2230a_100000225617_100000747444 [0,2,0,0,0,0|2,0,0]=4 6072 B10R0.2 C=CCN(C)CC(=O)CCC 269982a_100000225617_100000747444 [0,2,0,0,0,0|2,0,0]=4 6073 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000225617_100000183381 [0,2,0,0,0,0|2,0,0]=4 6074 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000741943_100000210623 [0,2,0,0,0,0|2,0,0]=4 6075 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000225617_100000183381 [0,2,0,0,0,0|2,0,0]=4 6076 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000741943_100000210623 [0,2,0,0,0,0|2,0,0]=4 6077 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,2,0,0,0,0|1,0,0]=3 6078 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,2,0,0,0,0|1,0,0]=3 6079 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,2,0,0,0,0|1,0,0]=3 6080 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,2,0,0,0,0|1,0,1]=4 6081 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,2,0,0,0,0|1,0,1]=4 6082 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|1,0,1]=4 6083 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|1,0,1]=4 6084 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|1,0,1]=4 6085 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|1,0,1]=4 6086 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|1,0,0]=3 6087 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|1,0,0]=3 6088 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|1,0,0]=3 6089 B10R0.2 CCCC(=O)CN(C)CC#N 2230a_100000748184_100000747444 [0,2,0,0,0,0|2,0,0]=4 6090 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,2,0,0,0,0|2,0,0]=4 6091 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,2,0,0,0,0|2,0,0]=4 6092 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 6093 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 6094 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 6095 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 6096 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 6097 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 6098 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000211992 [0,2,0,0,0,0|2,0,0]=4 6099 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211992 [0,2,0,0,0,0|2,0,0]=4 6100 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211992 [0,2,0,0,0,0|2,0,0]=4 6101 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000211992 [0,2,0,0,0,0|2,0,0]=4 6102 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,2,0,0,0,0|2,0,0]=4 6103 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,2,0,0,0,0|2,0,0]=4 6104 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 6105 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 6106 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 6107 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 6108 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|2,0,0]=4 6109 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|2,0,0]=4 6110 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|2,0,0]=4 6111 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|2,0,0]=4 6112 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|2,0,0]=4 6113 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|1,0,0]=3 6114 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|1,0,0]=3 6115 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|1,0,0]=3 6116 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,2,0,0,0,0|2,0,0]=4 6117 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 6118 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 6119 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 6120 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 6121 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 6122 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 6123 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 6124 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 6125 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 6126 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|1,0,0]=3 6127 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 6128 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 6129 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 6130 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 6131 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 6132 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 6133 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|1,0,1]=4 6134 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 6135 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 6136 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 6137 B10R0.2 CCNC(=O)CN(C)CC#N 2230a_100000741943_100011215382 [0,2,0,0,0,0|2,0,0]=4 6138 B10R0.2 CCNC(=O)CN(C)CC#N 2230a_100000748184_100000183381 [0,2,0,0,0,0|2,0,0]=4 6139 B10R0.2 CCNC(=O)CN(C)CC#N 269982a_100000741943_100011214920 [0,2,0,0,0,0|2,0,0]=4 6140 B10R0.2 CCNC(=O)CN(C)CC=O 2230a_100000741943_200015260668 [0,2,0,0,0,0|2,0,0]=4 6141 B10R0.2 CCNC(=O)CN(C)CC=O 269982a_100000741943_200015260668 [0,2,0,0,0,0|2,0,0]=4 6142 B10R0.2 CCNC(=O)CN(C)CCF 2230a_100000741943_100011217306 [0,2,0,0,0,0|2,0,0]=4 6143 B10R0.2 CCNC(=O)CN(C)CCF 269982a_100000741943_100011217306 [0,2,0,0,0,0|2,0,0]=4 6144 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,2,0,0,0,0|2,0,0]=4 6145 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,2,0,0,0,0|2,0,0]=4 6146 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,2,0,0,0,0|2,0,0]=4 6147 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,2,0,0,0,0|2,0,0]=4 6148 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,2,0,0,0,0|2,0,0]=4 6149 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,2,0,0,0,0|2,0,0]=4 6150 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,2,0,0,0,0|2,0,0]=4 6151 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,2,0,0,0,0|2,0,0]=4 6152 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 2708a_100015525214_100016994482 [0,2,0,0,0,0|2,0,0]=4 6153 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 2708a_100016994482_100015525214 [0,2,0,0,0,0|2,0,0]=4 6154 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 273464a_100015525214_100016994482 [0,2,0,0,0,0|2,0,0]=4 6155 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 273464a_100016994482_100015525214 [0,2,0,0,0,0|2,0,0]=4 6156 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 512a_100015525214_100016994482 [0,2,0,0,0,0|2,0,0]=4 6157 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 512a_100016994482_100015525214 [0,2,0,0,0,0|2,0,0]=4 6158 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 6159 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 6160 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 6161 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 6162 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 6163 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 6164 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 6165 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 6166 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 6167 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 6168 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|0,0,0]=2 6169 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,2,0,0,0,0|0,0,2]=4 6170 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,2,0,0,0,0|0,0,2]=4 6171 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,2,0,0,0,0|0,0,2]=4 6172 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,2,0,0,0,0|0,0,2]=4 6173 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,2,0,0,0,0|0,0,2]=4 6174 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,2,0,0,0,0|0,0,2]=4 6175 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,2,0,0,0,0|0,0,2]=4 6176 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,2,0,0,0,0|0,0,2]=4 6177 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,2,0,0,0,0|1,0,1]=4 6178 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,2,0,0,0,0|1,0,1]=4 6179 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|1,0,1]=4 6180 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|1,0,1]=4 6181 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|1,0,1]=4 6182 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|1,0,1]=4 6183 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|1,0,1]=4 6184 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|1,0,1]=4 6185 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|1,0,1]=4 6186 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|1,0,1]=4 6187 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|1,0,1]=4 6188 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,2,0,0,0,0|1,0,1]=4 6189 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|0,0,0]=2 6190 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|0,0,0]=2 6191 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|0,0,0]=2 6192 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|0,0,0]=2 6193 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,2,0,0,0,0|1,0,0]=3 6194 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,2,0,0,0,0|1,0,0]=3 6195 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,2,0,0,0,0|1,0,0]=3 6196 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,2,0,0,0,0|1,0,0]=3 6197 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,2,0,0,0,0|1,0,0]=3 6198 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,2,0,0,0,0|1,0,0]=3 6199 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,2,0,0,0,0|1,0,0]=3 6200 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|1,0,0]=3 6201 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|1,0,0]=3 6202 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|0,0,0]=2 6203 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,2,0,0,0,0|0,0,0]=2 6204 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|1,0,0]=3 6205 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|1,0,0]=3 6206 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|1,0,0]=3 6207 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|1,0,0]=3 6208 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|1,0,0]=3 6209 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|1,0,0]=3 6210 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|1,0,0]=3 6211 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,2,0,0,0,0|1,0,0]=3 6212 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,2,0,0,0,0|1,0,0]=3 6213 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,2,0,0,0,0|1,0,0]=3 6214 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,2,0,0,0,0|1,0,0]=3 6215 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,2,0,0,0,0|2,0,0]=4 6216 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,2,0,0,0,0|2,0,0]=4 6217 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,2,0,0,0,0|2,0,0]=4 6218 B10R0.7 C#CC(C)(C)NC(=O)CCC 11a_100000054563_100000211992 [0,2,0,0,0,0|2,0,0]=4 6219 B10R0.7 C#CC(C)(C)NC(=O)CCC 1626a_100000054563_100000211992 [0,2,0,0,0,0|2,0,0]=4 6220 B10R0.7 C#CC(C)(C)NC(=O)CCC 240690a_100000054563_100000211992 [0,2,0,0,0,0|2,0,0]=4 6221 B10R0.7 C#CC(C)(C)NC(=O)NCC 273464a_100000054563_100015525214 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.7 C#CC(C)(C)NC(=O)NCC 273464a_100015525214_100000054563 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.7 C#CC(C)(C)NC(=O)NCC 512a_100000054563_100015525214 [0,2,0,0,0,0|2,0,0]=4 6224 B10R0.7 C#CC(C)(C)NC(=O)NCC 512a_100015525214_100000054563 [0,2,0,0,0,0|2,0,0]=4 6225 B10R0.7 C=C[Si](C)(C)CC(=O)CCC 1458a_100000211992_100000038793 [0,2,0,0,0,0|1,1,0]=4 6226 B10R0.7 CCC(C)(C)CC(=O)CCF 1458a_200000763500_100011217306 [0,2,0,0,0,0|2,0,0]=4 6227 B10R0.7 CCC(C)(C)CC(=O)CCO 1458a_200000763500_100000211926 [0,2,0,0,0,0|2,0,0]=4 6228 B10R0.7 CCC(C)(C)CC(=O)NNC 22a_100016993582_200000763500 [0,2,0,0,0,0|2,0,0]=4 6229 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [0,2,0,0,0,0|2,0,0]=4 6230 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [0,2,0,0,0,0|2,0,0]=4 6231 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [0,2,0,0,0,0|2,0,0]=4 6232 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,2,0,0,0,0|1,0,0]=3 6233 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,2,0,0,0,0|1,0,0]=3 6234 B10R0.7 CCCC(=O)NC(C)(C)C#N 11a_100000761509_100000211992 [0,2,0,0,0,0|2,0,0]=4 6235 B10R0.7 CCCC(=O)NC(C)(C)C#N 1626a_100000761509_100000211992 [0,2,0,0,0,0|2,0,0]=4 6236 B10R0.7 CCCC(=O)NC(C)(C)C#N 527a_100000761509_100000211992 [0,2,0,0,0,0|2,0,0]=4 6237 B10R0.7 CCCC(=O)NC(C)(C)CC 11a_100000211385_100000211992 [0,2,0,0,0,0|2,0,0]=4 6238 B10R0.7 CCCC(=O)NC(C)(C)CC 1626a_100000211385_100000211992 [0,2,0,0,0,0|2,0,0]=4 6239 B10R0.7 CCCC(=O)NC(C)(C)CC 240690a_100000211385_100000211992 [0,2,0,0,0,0|2,0,0]=4 6240 B10R0.7 CCCC(=O)NC(C)(C)CC 527a_100000211385_100000211992 [0,2,0,0,0,0|2,0,0]=4 6241 B10R0.7 CCCC(=O)NC(C)(C)CO 240690a_100000210608_100000211992 [0,2,0,0,0,0|2,0,0]=4 6242 B10R0.7 CCCC(=O)NC(C)(C)CO 527a_100020618417_100000211992 [0,2,0,0,0,0|2,0,0]=4 6243 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,2,0,0,0,0|1,0,0]=3 6244 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,2,0,0,0,0|1,0,0]=3 6245 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,2,0,0,0,0|1,0,0]=3 6246 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,2,0,0,0,0|1,0,0]=3 6247 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,2,0,0,0,0|1,0,0]=3 6248 B10R0.7 CCNC(=O)NC(C)(C)C#N 273464a_100000761509_100015525214 [0,2,0,0,0,0|2,0,0]=4 6249 B10R0.7 CCNC(=O)NC(C)(C)C#N 273464a_100015525214_100000761509 [0,2,0,0,0,0|2,0,0]=4 6250 B10R0.7 CCNC(=O)NC(C)(C)C#N 512a_100000761509_100015525214 [0,2,0,0,0,0|2,0,0]=4 6251 B10R0.7 CCNC(=O)NC(C)(C)C#N 512a_100015525214_100000761509 [0,2,0,0,0,0|2,0,0]=4 6252 B10R0.7 CCNC(=O)NC(C)(C)CC 2708a_100015525214_100000211385 [0,2,0,0,0,0|2,0,0]=4 6253 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100000211385_100015525214 [0,2,0,0,0,0|2,0,0]=4 6254 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100015525214_100000211385 [0,2,0,0,0,0|2,0,0]=4 6255 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100000211385_100015525214 [0,2,0,0,0,0|2,0,0]=4 6256 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100015525214_100000211385 [0,2,0,0,0,0|2,0,0]=4 6257 B10R0.7 CCNC(=O)NC(C)(C)CO 2708a_100015525214_100000210608 [0,2,0,0,0,0|2,0,0]=4 6258 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100000210608_100015525214 [0,2,0,0,0,0|2,0,0]=4 6259 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100015525214_100000210608 [0,2,0,0,0,0|2,0,0]=4 6260 B10R0.7 CCNC(=O)NC(C)(C)CO 512a_100000210608_100015525214 [0,2,0,0,0,0|2,0,0]=4 6261 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,2,0,0,0,0|0,0,0]=2 6262 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,2,0,0,0,0|0,0,0]=2 6263 B10R0.7 CCOC(=O)CS(=O)(=O)NC 270084a_100102657272_100000738689 [0,2,0,0,0,0|2,0,0]=4 6264 B10R0.7 CCOC(=O)CS(=O)(=O)NC 274078a_100102657272_100000738689 [0,2,0,0,0,0|2,0,0]=4 6265 B10R0.7 CCOC(C)CC(C)(C)OC 7a_200011252547_100000210202 [0,2,0,0,0,0|1,0,1]=4 6266 B10R0.34 CC#CC(=O)CC(CC)CC 1458a_100000763181_100011215472 [0,2,0,0,0,0|1,0,1]=4 6267 B10R0.34 CC#CC(=O)CC(OC)OC 1458a_100000763181_100000751394 [0,2,0,0,0,0|1,0,1]=4 6268 B10R0.34 CC=CC(=O)CC(CC)CC 1458a_100000210699_100011215472 [0,2,0,0,0,0|1,0,1]=4 6269 B10R0.34 CC=CC(=O)CC(OC)OC 1458a_100000210699_100000751394 [0,2,0,0,0,0|1,0,1]=4 6270 B10R0.34 CCC(CC)CC(=O)CCO 1458a_100011216618_100011215472 [0,2,0,0,0,0|2,0,0]=4 6271 B10R0.34 CCC(CC)CC(=O)COC 1458a_100000210968_100011215472 [0,2,0,0,0,0|2,0,0]=4 6272 B10R0.34 CCC(CC)CC(=O)CSC 1458a_100000184570_100011215472 [0,2,0,0,0,0|2,0,0]=4 6273 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,2,0,0,0,0|1,0,0]=3 6274 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,2,0,0,0,0|1,0,0]=3 6275 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,2,0,0,0,0|1,0,0]=3 6276 B10R0.34 CCCC(=O)CN(CC)CC 1458a_100000758533_100000210303 [0,2,0,0,0,0|2,0,0]=4 6277 B10R0.34 CCCC(=O)CN(CC)CC 2230a_100000724800_100000747444 [0,2,0,0,0,0|2,0,0]=4 6278 B10R0.34 CCCC(=O)CN(CC)CC 269956a_100000042499_100000747444 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.34 CCCC(=O)CN(CC)CC 269982a_100000724800_100000747444 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.34 CCCC(=O)NC(CC)CC 11a_100000199018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6281 B10R0.34 CCCC(=O)NC(CC)CC 1626a_100000199018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6282 B10R0.34 CCCC(=O)NC(CC)CC 240690a_100000199018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6283 B10R0.34 CCCC(=O)NC(CC)CC 527a_100000199018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6284 B10R0.34 CCCC(=O)NC(CO)CO 240690a_100000759517_100000211992 [0,2,0,0,0,0|2,0,0]=4 6285 B10R0.34 CCCC(=O)NC(CO)CO 527a_100000759517_100000211992 [0,2,0,0,0,0|2,0,0]=4 6286 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [0,2,0,0,0,0|2,0,0]=4 6287 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [0,2,0,0,0,0|2,0,0]=4 6288 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [0,2,0,0,0,0|1,0,0]=3 6289 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [0,2,0,0,0,0|1,0,0]=3 6290 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [0,2,0,0,0,0|1,0,0]=3 6291 B10R0.34 CCNC(=O)CN(CC)CC 11a_100015525214_100000758533 [0,2,0,0,0,0|2,0,0]=4 6292 B10R0.34 CCNC(=O)CN(CC)CC 2230a_100000724800_100000183381 [0,2,0,0,0,0|2,0,0]=4 6293 B10R0.34 CCNC(=O)CN(CC)CC 240690a_100015525214_100000758533 [0,2,0,0,0,0|2,0,0]=4 6294 B10R0.34 CCNC(=O)CN(CC)CC 269956a_100000042499_100000183381 [0,2,0,0,0,0|2,0,0]=4 6295 B10R0.34 CCNC(=O)CN(CC)CC 269982a_100000724800_100000183381 [0,2,0,0,0,0|2,0,0]=4 6296 B10R0.34 CCNC(=O)CN(CC)CC 527a_100015525214_100000758533 [0,2,0,0,0,0|2,0,0]=4 6297 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100000199018_100015525214 [0,2,0,0,0,0|2,0,0]=4 6298 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100015525214_100000199018 [0,2,0,0,0,0|2,0,0]=4 6299 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100000199018_100015525214 [0,2,0,0,0,0|2,0,0]=4 6300 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100015525214_100000199018 [0,2,0,0,0,0|2,0,0]=4 6301 B10R0.34 CCNC(=O)NC(CC)CC 512a_100000199018_100015525214 [0,2,0,0,0,0|2,0,0]=4 6302 B10R0.34 CCNC(=O)NC(CC)CC 512a_100015525214_100000199018 [0,2,0,0,0,0|2,0,0]=4 6303 B10R0.34 CCNC(=O)NC(CO)CO 2708a_100015525214_100000759517 [0,2,0,0,0,0|2,0,0]=4 6304 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100000759517_100015525214 [0,2,0,0,0,0|2,0,0]=4 6305 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100015525214_100000759517 [0,2,0,0,0,0|2,0,0]=4 6306 B10R0.34 CCNC(=O)NC(CO)CO 512a_100015525214_100000759517 [0,2,0,0,0,0|2,0,0]=4 6307 B10R0.34 CCNC(=O)N[C@@H](CC)CO 2708a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 6308 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015525214 [0,2,0,0,0,0|2,0,0]=4 6309 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 6310 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015525214 [0,2,0,0,0,0|2,0,0]=4 6311 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 6312 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [0,2,0,0,0,0|1,0,0]=3 6313 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [0,2,0,0,0,0|1,0,0]=3 6314 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [0,2,0,0,0,0|1,0,0]=3 6315 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [0,2,0,0,0,0|1,0,0]=3 6316 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [0,2,0,0,0,0|1,0,0]=3 6317 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [0,2,0,0,0,0|1,0,0]=3 6318 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,2,0,0,0,0|0,0,0]=2 6319 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,2,0,0,0,0|0,0,0]=2 6320 B10R0.34 CCOC(C)CC(OC)OC 7a_100011018202_100000210202 [0,2,0,0,0,0|1,0,1]=4 6321 B10R0.34 CNNC(=O)CC(OC)OC 22a_100016993582_100000082724 [0,2,0,0,0,0|2,0,0]=4 6322 B10R0.34 COC(CC(=O)CCF)OC 1458a_100000082724_100011217306 [0,2,0,0,0,0|2,0,0]=4 6323 B10R0.34 COC(CC(=O)CCO)OC 1458a_100000082724_100000211926 [0,2,0,0,0,0|2,0,0]=4 6324 B10R0.34 COC(CC(=O)CCO)OC 1458a_100011216618_100000751394 [0,2,0,0,0,0|2,0,0]=4 6325 B10R0.34 COC(CC(=O)CSC)OC 1458a_100000184570_100000751394 [0,2,0,0,0,0|2,0,0]=4 6326 B10R0.34 COCC(=O)CC(OC)OC 1458a_100000210968_100000751394 [0,2,0,0,0,0|2,0,0]=4 6327 B10R0.31 C=C(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748629 [0,2,0,0,0,0|1,0,1]=4 6328 B10R0.31 C=C(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748629 [0,2,0,0,0,0|1,0,1]=4 6329 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_200000210301 [0,2,0,0,0,0|1,0,1]=4 6330 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000070787_100000183872 [0,2,0,0,0,0|1,0,1]=4 6331 B10R0.31 CC(C)(C)CC(=O)CC(F)F 1458a_100000211214_100011934356 [0,2,0,0,0,0|2,0,0]=4 6332 B10R0.31 CC(C)(C)OC(=O)CC(=O)[13CH3] 1458a_100000033093_200025704644 [0,2,0,0,0,0|1,0,1]=4 6333 B10R0.31 CC(C)(O)CC(=O)CC(F)F 1458a_100000693243_100011934356 [0,2,0,0,0,0|2,0,0]=4 6334 B10R0.31 CC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000210624 [0,2,0,0,0,0|1,0,0]=3 6335 B10R0.31 CC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000210624 [0,2,0,0,0,0|1,0,0]=3 6336 B10R0.31 CC(C)CC(=O)CC(F)(F)F 1458a_100000245130_100000210624 [0,2,0,0,0,0|2,0,0]=4 6337 B10R0.31 CC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000210624 [0,2,0,0,0,0|2,0,0]=4 6338 B10R0.31 CC(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000210624 [0,2,0,0,0,0|2,0,0]=4 6339 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100000210554_100000233785 [0,2,0,0,0,0|1,1,0]=4 6340 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000210624 [0,2,0,0,0,0|1,1,0]=4 6341 B10R0.31 CC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000210554 [0,2,0,0,0,0|1,0,0]=3 6342 B10R0.31 CC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000210554 [0,2,0,0,0,0|1,0,0]=3 6343 B10R0.31 CC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000210554 [0,2,0,0,0,0|1,0,0]=3 6344 B10R0.31 CC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000210554 [0,2,0,0,0,0|1,0,0]=3 6345 B10R0.31 CC(C)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000210554 [0,2,0,0,0,0|2,0,0]=4 6346 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100000211805_100000210625 [0,2,0,0,0,0|1,0,1]=4 6347 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100015890283_100000731052 [0,2,0,0,0,0|1,0,1]=4 6348 B10R0.31 CC(C)CC(C)OC(C)(C)C 7a_100015890283_100000731052 [0,2,0,0,0,0|1,0,1]=4 6349 B10R0.31 CC(C)NC(=O)CC(C)(C)C 11a_100138425928_100000211214 [0,2,0,0,0,0|1,0,0]=3 6350 B10R0.31 CC(C)NC(=O)CC(C)(C)C 1626a_100138425928_100000211214 [0,2,0,0,0,0|1,0,0]=3 6351 B10R0.31 CC(C)NC(=O)CC(C)(C)C 240690a_100138425928_100000211214 [0,2,0,0,0,0|1,0,0]=3 6352 B10R0.31 CC(C)NC(=O)CC(C)(C)C 527a_100138425928_100000211214 [0,2,0,0,0,0|1,0,0]=3 6353 B10R0.31 CC(C)NC(=O)CC(C)(C)O 527a_100138425928_100000693243 [0,2,0,0,0,0|1,0,0]=3 6354 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 11a_100138425928_100000033712 [0,2,0,0,0,0|2,0,0]=4 6355 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 1626a_100138425928_100000033712 [0,2,0,0,0,0|2,0,0]=4 6356 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 240690a_100138425928_100000033712 [0,2,0,0,0,0|2,0,0]=4 6357 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 527a_100138425928_100000033712 [0,2,0,0,0,0|2,0,0]=4 6358 B10R0.31 CC(C)NC(=O)C[Si](C)(C)C 11a_100138425928_100011218504 [0,2,0,0,0,0|1,1,0]=4 6359 B10R0.31 CC(C)NC(=O)C[Si](C)(C)C 1626a_100138425928_100011218504 [0,2,0,0,0,0|1,1,0]=4 6360 B10R0.31 CC(C)NC(=O)NC(C)(C)C 2708a_100138425928_100000715429 [0,2,0,0,0,0|2,0,0]=4 6361 B10R0.31 CC(C)NC(=O)NC(C)(C)C 273464a_100138425928_100000715429 [0,2,0,0,0,0|2,0,0]=4 6362 B10R0.31 CC(C)NC(=O)NC(C)(C)C 512a_100000715429_100138425928 [0,2,0,0,0,0|2,0,0]=4 6363 B10R0.31 CC(C)OC(C)CC(C)(C)C 7a_200011218616_100000210206 [0,2,0,0,0,0|1,0,1]=4 6364 B10R0.31 CC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218427 [0,2,0,0,0,0|1,0,0]=3 6365 B10R0.31 CC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218427 [0,2,0,0,0,0|1,0,0]=3 6366 B10R0.31 CC(O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100011218427 [0,2,0,0,0,0|2,0,0]=4 6367 B10R0.31 CC(O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100011218427 [0,2,0,0,0,0|1,1,0]=4 6368 B10R0.31 CN(C)CC(=O)NC(C)(C)C 11a_100000715429_100000750896 [0,2,0,0,0,0|2,0,0]=4 6369 B10R0.31 CN(C)CC(=O)NC(C)(C)C 2230a_100102631434_100000182746 [0,2,0,0,0,0|2,0,0]=4 6370 B10R0.31 CN(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000750896 [0,2,0,0,0,0|2,0,0]=4 6371 B10R0.31 CN(C)CC(=O)NC(C)(C)C 269982a_100102631434_100000182746 [0,2,0,0,0,0|2,0,0]=4 6372 B10R0.31 CN(C)CC(=O)NC(C)(C)C 527a_100000715429_100000750896 [0,2,0,0,0,0|2,0,0]=4 6373 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100000725589_200000210301 [0,2,0,0,0,0|1,0,0]=3 6374 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100102631434_100000183872 [0,2,0,0,0,0|1,0,0]=3 6375 B10R0.31 CN(C)CC(=O)O[Si](C)(C)C 2230a_100102631434_200009813336 [0,2,0,0,0,0|1,1,0]=4 6376 B10R0.31 CN([13CH3])CC(=O)OC(C)(C)C 2230a_100000725589_200025704644 [0,2,0,0,0,0|1,0,0]=3 6377 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 6378 B10R0.31 C[C@@H](O)CC(=O)NC(C)(C)C 240690a_100000715429_100011933948 [0,2,0,0,0,0|2,0,0]=4 6379 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 11a_100000715429_200159257847 [0,2,0,0,0,0|2,0,0]=4 6380 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 1626a_100000715429_200159257847 [0,2,0,0,0,0|2,0,0]=4 6381 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 240690a_100000715429_200159257847 [0,2,0,0,0,0|2,0,0]=4 6382 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 527a_100000715429_200159257847 [0,2,0,0,0,0|2,0,0]=4 6383 B10R0.48 CCOC(C)(C)CC(C)(C)C 7a_100000065652_100000210202 [0,2,0,0,0,0|1,0,1]=4 6384 B10R0.165 CC(C)CS(=O)(=O)NC(C)C 270084a_100138425928_100000748289 [0,2,0,0,0,0|2,0,0]=4 6385 B10R0.165 CC(C)CS(=O)(=O)NC(C)C 274078a_100138425928_100000748289 [0,2,0,0,0,0|2,0,0]=4 6386 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|1,0,1]=4 6387 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 6388 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [1,0,0,1,0,0|2,0,0]=4 6389 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 6390 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|1,0,1]=4 6391 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 6392 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,0]=3 6393 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 6394 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 6395 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 6396 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 6397 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 6398 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 6399 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 6400 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,0]=3 6401 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,1]=4 6402 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [1,0,0,1,0,0|1,0,0]=3 6403 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [1,0,0,1,0,0|2,0,0]=4 6404 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|0,0,2]=4 6405 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|0,0,2]=4 6406 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,0]=2 6407 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,0]=2 6408 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,0]=3 6409 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,0]=3 6410 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,0]=3 6411 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 6412 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 6413 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 6414 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [1,0,0,1,0,0|2,0,0]=4 6415 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [1,0,0,1,0,0|2,0,0]=4 6416 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [1,0,0,1,0,0|2,0,0]=4 6417 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [1,0,0,1,0,0|2,0,0]=4 6418 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,0]=3 6419 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 6420 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 6421 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 6422 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 6423 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 6424 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 6425 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 6426 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 6427 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,0]=3 6428 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,0]=3 6429 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|2,0,0]=4 6430 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|2,0,0]=4 6431 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|2,0,0]=4 6432 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 6433 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 6434 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [1,0,0,1,0,0|2,0,0]=4 6435 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [1,0,0,1,0,0|2,0,0]=4 6436 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [1,0,0,1,0,0|2,0,0]=4 6437 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [1,0,0,1,0,0|2,0,0]=4 6438 B8R1.53 CCN1CC(C1)(C)C 2230a_100000753659_100000210202 [1,0,0,1,0,0|2,0,0]=4 6439 B8R1.53 CCN1CC(C1)(C)C 269982a_100000753659_100000204670 [1,0,0,1,0,0|2,0,0]=4 6440 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,0]=3 6441 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,0]=2 6442 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,0]=3 6443 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,0]=3 6444 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 6445 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 6446 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 6447 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 6448 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 6449 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|1,0,0]=3 6450 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|1,0,0]=3 6451 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [1,0,0,1,0,0|2,0,0]=4 6452 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 6453 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 6454 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 6455 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [1,0,0,1,0,0|1,0,1]=4 6456 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [1,0,0,1,0,0|1,0,1]=4 6457 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [1,0,0,1,0,0|1,0,1]=4 6458 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [1,0,0,1,0,0|1,0,1]=4 6459 B8R1.7 CN(C)C1CCOC1 2230a_100016988252_200000210301 [1,0,0,1,0,0|1,0,1]=4 6460 B8R1.7 CN(C)C1CCOC1 2230a_100102631434_100000731011 [1,0,0,1,0,0|1,0,1]=4 6461 B8R1.7 CN(C)C1CCOC1 269982a_100016988252_200000210301 [1,0,0,1,0,0|1,0,1]=4 6462 B8R1.7 CN(C)C1CCOC1 269982a_100102631434_100000731011 [1,0,0,1,0,0|1,0,1]=4 6463 B8R1.7 CN(C)C1CCOC1 270004a_100102631434_100000752484 [1,0,0,1,0,0|1,0,1]=4 6464 B8R1.7 CN(C)C1CCOC1 34a_100016988252_200000210301 [1,0,0,1,0,0|1,0,1]=4 6465 B8R1.7 CN([13CH3])C1CCOC1 2230a_100016988252_200025704644 [1,0,0,1,0,0|1,0,1]=4 6466 B8R1.7 CN([13CH3])C1CCOC1 269982a_100016988252_200025704644 [1,0,0,1,0,0|1,0,1]=4 6467 B8R1.7 CN([13CH3])C1CCOC1 34a_100016988252_200025704644 [1,0,0,1,0,0|1,0,1]=4 6468 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 6469 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 6470 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|0,0,1]=3 6471 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|0,0,1]=3 6472 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6473 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6474 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6475 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6476 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6477 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6478 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [1,0,0,1,0,0|2,0,0]=4 6479 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [1,0,0,1,0,0|2,0,0]=4 6480 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [1,0,0,1,0,0|2,0,0]=4 6481 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [1,0,0,1,0,0|2,0,0]=4 6482 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|2,0,0]=4 6483 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|2,0,0]=4 6484 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|2,0,0]=4 6485 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|2,0,0]=4 6486 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|2,0,0]=4 6487 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|2,0,0]=4 6488 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|2,0,0]=4 6489 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,1]=4 6490 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,1]=4 6491 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|0,0,1]=3 6492 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|0,0,1]=3 6493 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|0,0,1]=3 6494 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 6495 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 6496 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [1,0,0,1,0,0|1,0,1]=4 6497 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|0,1,1]=4 6498 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|0,1,1]=4 6499 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|1,0,1]=4 6500 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|1,0,1]=4 6501 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6502 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 6503 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6504 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|0,0,2]=4 6505 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 6506 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 6507 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 6508 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 6509 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 6510 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 6511 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|1,0,0]=3 6512 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 6513 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 6514 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 6515 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|1,0,0]=3 6516 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 6517 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|2,0,0]=4 6518 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|2,0,0]=4 6519 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|1,0,0]=3 6520 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|1,0,0]=3 6521 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 6522 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 6523 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 6524 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 6525 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|2,0,0]=4 6526 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|2,0,0]=4 6527 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|1,0,0]=3 6528 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|1,0,0]=3 6529 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|1,0,0]=3 6530 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|2,0,0]=4 6531 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6532 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6533 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6534 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 6535 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 6536 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 6537 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 6538 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 6539 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 6540 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|2,0,0]=4 6541 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 6542 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 6543 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|2,0,0]=4 6544 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|2,0,0]=4 6545 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|2,0,0]=4 6546 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|2,0,0]=4 6547 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|2,0,0]=4 6548 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|2,0,0]=4 6549 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|2,0,0]=4 6550 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|2,0,0]=4 6551 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|2,0,0]=4 6552 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 6553 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 6554 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,0,0,1,1,0|1,0,0]=3 6555 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,0,0,1,1,0|2,0,0]=4 6556 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,0,0,1,1,0|2,0,0]=4 6557 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,0,0,1,1,0|2,0,0]=4 6558 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,0,0,1,1,0|2,0,0]=4 6559 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,0,0,1,1,0|2,0,0]=4 6560 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,0,0,1,0,1|1,0,1]=4 6561 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,0,0,1,0,1|1,0,1]=4 6562 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,0,0,1,0,1|1,0,1]=4 6563 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 34a_100009815050_200025704644 [0,0,0,1,0,1|2,0,0]=4 6564 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 7a_100009815050_200025704644 [0,0,0,1,0,1|2,0,0]=4 6565 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 34a_100009815050_200000210301 [0,0,0,1,0,1|2,0,0]=4 6566 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 7a_100009815050_200000210301 [0,0,0,1,0,1|2,0,0]=4 6567 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,1|1,0,1]=4 6568 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,0,0,1,0,1|1,0,0]=3 6569 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,0,0,1,0,1|1,0,0]=3 6570 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,0,0,1,0,1|1,0,0]=3 6571 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,0,0,1,0,1|1,0,0]=3 6572 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,1,0,1|0,0,0]=2 6573 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,1,0,1|0,0,0]=2 6574 B10R1.64 CC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000210206 [0,0,0,1,0,1|2,0,0]=4 6575 B10R1.64 CC(C)N[C@@H]1CONC1=O 34a_100000765999_100000210206 [0,0,0,1,0,1|2,0,0]=4 6576 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,0,0,1,0,1|1,0,0]=3 6577 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,0,0,1,0,1|1,0,0]=3 6578 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,0,0,1,0,1|0,0,0]=2 6579 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,0,0,1,0,1|1,0,0]=3 6580 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,0,0,1,0,1|1,0,0]=3 6581 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,0,0,1,0,1|1,0,0]=3 6582 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,0,0,1,0,1|0,0,0]=2 6583 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,0,0,1,0,1|0,0,0]=2 6584 B10R1.64 CN(C)CN1CCCC1=O 269982a_100102631434_100000026320 [0,0,0,1,0,1|2,0,0]=4 6585 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,1|1,0,1]=4 6586 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [0,0,0,1,0,1|1,0,1]=4 6587 B10R1.66 CC(C)NCC1=NCCN1 34a_100138425928_100000737910 [0,0,0,1,0,1|2,0,0]=4 6588 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [0,0,0,1,0,1|1,0,1]=4 6589 B10R1.66 CC(C)NCC1OCCO1 2230a_100000036311_100000210206 [0,0,0,1,0,1|0,0,2]=4 6590 B10R1.66 CC(C)NCC1OCCO1 2230a_100138425928_100000755774 [0,0,0,1,0,1|0,0,2]=4 6591 B10R1.66 CC(C)NCC1OCCO1 34a_100000036311_100000210206 [0,0,0,1,0,1|0,0,2]=4 6592 B10R1.66 CC(C)NCC1OCCO1 34a_100138425928_100000755774 [0,0,0,1,0,1|0,0,2]=4 6593 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [0,0,0,1,0,1|1,0,1]=4 6594 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [0,0,0,1,0,1|1,0,1]=4 6595 B10R1.66 CC(C)OCC1=NCCN1 34a_100000212225_100000737910 [0,0,0,1,0,1|2,0,0]=4 6596 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [0,0,0,1,0,1|1,0,1]=4 6597 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [0,0,0,1,0,1|1,0,1]=4 6598 B10R1.66 CC(C)OCC1OCCO1 34a_100000087154_100000210206 [0,0,0,1,0,1|0,0,2]=4 6599 B10R1.66 CC(C)OCC1OCCO1 34a_100000212225_100000755774 [0,0,0,1,0,1|0,0,2]=4 6600 B10R1.66 CC(C)SCC1=NCCN1 62a_100000210206_100000737910 [0,0,0,1,0,1|2,0,0]=4 6601 B10R1.66 CC(C)SCC1=NCCN1 62a_100000737910_100000210206 [0,0,0,1,0,1|2,0,0]=4 6602 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [0,0,0,1,0,1|1,0,1]=4 6603 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [0,0,0,1,0,1|1,0,1]=4 6604 B10R1.66 CC(C)SCC1OCCO1 62a_100000210206_100000755774 [0,0,0,1,0,1|0,0,2]=4 6605 B10R1.66 CC(C)SCC1OCCO1 62a_100000755774_100000210206 [0,0,0,1,0,1|0,0,2]=4 6606 B10R1.93 CCOC1CN(C1)C(C)C 269982a_100000732654_100000210206 [0,0,0,1,0,1|1,0,1]=4 6607 B10R1.93 CCOC1CN(C1)C(C)C 34a_100000732654_100000210206 [0,0,0,1,0,1|1,0,1]=4 6608 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,1|1,0,1]=4 6609 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,1|1,0,1]=4 6610 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,1|1,0,1]=4 6611 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,0,0,1,0,1|1,0,0]=3 6612 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,0,1|0,0,0]=2 6613 B10R1.113 CC(C)N1CCOC(C1)O 2230a_100000688207_100000210206 [0,0,0,1,0,1|0,0,2]=4 6614 B10R1.113 CC(C)N1CCOC(C1)O 269982a_100000688207_100000210206 [0,0,0,1,0,1|0,0,2]=4 6615 B10R1.113 CC1=CCCN(C1)C(C)C 2230a_100000725631_100000210206 [0,0,0,1,0,1|2,0,0]=4 6616 B10R1.113 CC1=CCCN(C1)C(C)C 269982a_100000725631_100000210206 [0,0,0,1,0,1|2,0,0]=4 6617 B10R1.113 CC1=CCCN(C1)C(C)C 34a_100000725631_100000210206 [0,0,0,1,0,1|2,0,0]=4 6618 B10R1.113 CC1CN(CCO1)C(C)C 2230a_100000729577_100000210206 [0,0,0,1,0,1|1,0,1]=4 6619 B10R1.113 CC1CN(CCO1)C(C)C 269982a_100000729577_100000210206 [0,0,0,1,0,1|1,0,1]=4 6620 B10R1.113 CC1CN(CCO1)C(C)C 34a_100000729577_100000210206 [0,0,0,1,0,1|1,0,1]=4 6621 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,0,0,1,0,1|2,0,0]=4 6622 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,0,0,1,0,1|2,0,0]=4 6623 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6624 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6625 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6626 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6627 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 6628 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,0,0,1,0,1|2,0,0]=4 6629 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 6630 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 6631 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 6632 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 6633 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 6634 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,0,0,1,0,1|2,0,0]=4 6635 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,0,0,1,0,1|0,0,2]=4 6636 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,0,0,1,0,1|0,0,2]=4 6637 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,0,0,1,0,1|1,0,1]=4 6638 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,0,0,1,0,1|1,0,1]=4 6639 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [0,0,0,1,0,1|1,0,1]=4 6640 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [0,0,0,1,0,1|1,0,1]=4 6641 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [0,0,0,1,0,1|1,0,1]=4 6642 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,0,0,1,0,1|1,0,1]=4 6643 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,0,1,0,1|1,0,0]=3 6644 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,0,1,0,1|1,0,0]=3 6645 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,0,0,1,0,1|2,0,0]=4 6646 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,0,0,1,0,1|1,0,0]=3 6647 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,0,0,1,0,1|1,0,0]=3 6648 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,0,0,1,0,1|1,0,0]=3 6649 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,0,0,1,0,1|1,0,0]=3 6650 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,0,0,1,0,1|1,0,0]=3 6651 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [0,0,0,1,0,1|2,0,0]=4 6652 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,0,0,1,0,1|1,0,1]=4 6653 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,0,0,1,0,1|1,0,1]=4 6654 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,0,1,0,1|1,0,0]=3 6655 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,0,1,0,1|1,0,0]=3 6656 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,0,1,0,1|1,0,0]=3 6657 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,0,0,1,0,1|1,0,0]=3 6658 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,0,0,1,0,1|1,0,0]=3 6659 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,0,0,1,0,1|1,0,0]=3 6660 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,0,0,1,0,1|1,0,0]=3 6661 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,0,0,1,0,1|1,0,0]=3 6662 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,0,0,1,0,1|1,0,0]=3 6663 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,0,0,1,0,1|1,0,0]=3 6664 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,0,0,1,0,1|1,0,0]=3 6665 B10R1.138 CCNC(=O)NNC1CC1 273464a_100015525214_100000701032 [0,0,0,1,0,1|2,0,0]=4 6666 B10R1.138 CCNC(=O)NNC1CC1 512a_100000701032_100015525214 [0,0,0,1,0,1|2,0,0]=4 6667 B10R1.138 CCNC(=O)NNC1CC1 512a_100015525214_100000701032 [0,0,0,1,0,1|2,0,0]=4 6668 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,1|0,0,0]=2 6669 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,1|0,0,0]=2 6670 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,0,0,1,0,1|2,0,0]=4 6671 B10R1.138 CNNC(=O)NCC1CC1 273464a_100000735609_100016993582 [0,0,0,1,0,1|2,0,0]=4 6672 B10R1.138 CNNC(=O)NCC1CC1 512a_100000735609_100016993582 [0,0,0,1,0,1|2,0,0]=4 6673 B10R1.138 CNNC(=O)NCC1CC1 512a_100016993582_100000735609 [0,0,0,1,0,1|2,0,0]=4 6674 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,0,0,1,0,1|2,0,0]=4 6675 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,0,0,1,0,1|2,0,0]=4 6676 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,0,0,1,0,1|2,0,0]=4 6677 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,0,0,1,0,1|2,0,0]=4 6678 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,0,0,1,0,1|2,0,0]=4 6679 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,0,0,1,0,1|2,0,0]=4 6680 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,0,0,1,0,1|2,0,0]=4 6681 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,0,0,1,0,1|2,0,0]=4 6682 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,0,0,1,0,1|2,0,0]=4 6683 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,0,0,1,0,1|2,0,0]=4 6684 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,0,0,1,0,1|2,0,0]=4 6685 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,0,0,1,0,1|2,0,0]=4 6686 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,0,0,1,0,1|2,0,0]=4 6687 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,0,0,1,0,1|2,0,0]=4 6688 B10R1.138 O=C(CNC1CC1)NCO 34a_100000212008_100000185155 [0,0,0,1,0,1|2,0,0]=4 6689 B10R1.138 O=C(CSC1CC1)NCO 62a_100000185155_100000211595 [0,0,0,1,0,1|2,0,0]=4 6690 B10R1.140 CC1CC(C1)C(=O)CCF 1458a_100000686124_100011217306 [0,0,0,1,0,1|2,0,0]=4 6691 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,0,0,1,0,1|2,0,0]=4 6692 B10R1.140 CC1CN(C1)C(=O)CCO 240690a_100000702820_100011216618 [0,0,0,1,0,1|2,0,0]=4 6693 B10R1.140 CC=CC(=O)N1CC(C1)C 11a_100000702820_100000210699 [0,0,0,1,0,1|1,0,1]=4 6694 B10R1.140 CC=CC(=O)N1CC(C1)C 240690a_100000702820_100000210699 [0,0,0,1,0,1|1,0,1]=4 6695 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,0,1|1,0,0]=3 6696 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,0,0,1,0,1|2,0,0]=4 6697 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,0,0,1,0,1|2,0,0]=4 6698 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,0,0,1,0,1|1,0,0]=3 6699 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,0,0,1,0,1|1,0,0]=3 6700 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,0,0,1,0,1|1,0,0]=3 6701 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,0,0,1,0,1|2,0,0]=4 6702 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,0,0,1,0,1|2,0,0]=4 6703 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,0,0,1,0,1|2,0,0]=4 6704 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,0,0,1,0,1|2,0,0]=4 6705 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,0,0,1,0,1|2,0,0]=4 6706 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,0,0,1,0,1|2,0,0]=4 6707 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,0,1|2,0,0]=4 6708 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,0,1|1,0,0]=3 6709 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,0,1|1,0,0]=3 6710 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,0,1|1,0,0]=3 6711 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,0,0,1,0,1|2,0,0]=4 6712 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,0,0,1,0,1|2,0,0]=4 6713 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,0,0,1,0,1|2,0,0]=4 6714 B10R1.140 CCNC(=O)C1CN(C1)C 240690a_100015525214_100012002723 [0,0,0,1,0,1|2,0,0]=4 6715 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,0,0,1,0,1|1,0,0]=3 6716 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,0,0,1,0,1|1,0,0]=3 6717 B10R1.140 CCNC(=O)N1CC(C1)F 2708a_100015525214_100000690557 [0,0,0,1,0,1|2,0,0]=4 6718 B10R1.140 CCNC(=O)N1CC(C1)F 273464a_100015525214_100000690557 [0,0,0,1,0,1|2,0,0]=4 6719 B10R1.140 CCNC(=O)N1CC(C1)O 2708a_100015525214_100000749847 [0,0,0,1,0,1|2,0,0]=4 6720 B10R1.140 CCNC(=O)N1CC(C1)O 273464a_100015525214_100000749847 [0,0,0,1,0,1|2,0,0]=4 6721 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,0,0,1,0,1|2,0,0]=4 6722 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,0,0,1,0,1|2,0,0]=4 6723 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,0,1|1,0,0]=3 6724 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,0,1|1,0,0]=3 6725 B10R1.140 CNNC(=O)C1CC(C1)C 22a_100016993582_100000686124 [0,0,0,1,0,1|2,0,0]=4 6726 B10R1.140 COCC(=O)N1CC(C1)C 11a_100000702820_100000210968 [0,0,0,1,0,1|2,0,0]=4 6727 B10R1.140 COCC(=O)N1CC(C1)C 240690a_100000702820_100000210968 [0,0,0,1,0,1|2,0,0]=4 6728 B10R1.140 COCC(=O)N1CC(C1)C 527a_100000702820_100000210968 [0,0,0,1,0,1|2,0,0]=4 6729 B10R1.140 CSCC(=O)N1CC(C1)C 11a_100000702820_100000184570 [0,0,0,1,0,1|2,0,0]=4 6730 B10R1.140 CSCC(=O)N1CC(C1)C 240690a_100000702820_100000184570 [0,0,0,1,0,1|2,0,0]=4 6731 B10R1.140 CSCC(=O)N1CC(C1)C 527a_100000702820_100000184570 [0,0,0,1,0,1|2,0,0]=4 6732 B10R1.211 CC(=CCC(=O)C1CC1)C 1458a_100000210395_100000761012 [0,0,0,1,0,1|1,0,1]=4 6733 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,0,0,1,0,1|1,0,0]=3 6734 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,0,0,1,0,1|2,0,0]=4 6735 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [0,0,0,1,0,1|1,0,0]=3 6736 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [0,0,0,1,0,1|1,0,0]=3 6737 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [0,0,0,1,0,1|1,0,0]=3 6738 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [0,0,0,1,0,1|1,0,0]=3 6739 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [0,0,0,1,0,1|2,0,0]=4 6740 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [0,0,0,1,0,1|2,0,0]=4 6741 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [0,0,0,1,0,1|2,0,0]=4 6742 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [0,0,0,1,0,1|2,0,0]=4 6743 B10R1.211 CC(C)NCC(=O)C1CC1 2230a_100138425928_100000746382 [0,0,0,1,0,1|1,0,0]=3 6744 B10R1.211 CC(C)NCC(=O)C1CC1 34a_100138425928_100000746382 [0,0,0,1,0,1|1,0,0]=3 6745 B10R1.211 CC(C)NNC(=O)C1CC1 22a_100000741168_100000210395 [0,0,0,1,0,1|2,0,0]=4 6746 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000212225_100000746382 [0,0,0,1,0,1|1,0,0]=3 6747 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000686663_100000210206 [0,0,0,1,0,1|1,0,0]=3 6748 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000210206_100000746382 [0,0,0,1,0,1|1,0,0]=3 6749 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000746382_100000210206 [0,0,0,1,0,1|1,0,0]=3 6750 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,0,0,1,0,1|2,0,0]=4 6751 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,0,0,1,0,1|2,0,0]=4 6752 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,0,0,1,0,1|2,0,0]=4 6753 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,0,0,1,0,1|2,0,0]=4 6754 B10R1.211 CN(C)COC(=O)C1CC1 2230a_100102631434_100000140896 [0,0,0,1,0,1|2,0,0]=4 6755 B10R1.211 CN(C)COC(=O)C1CC1 269982a_100102631434_100000140896 [0,0,0,1,0,1|2,0,0]=4 6756 B10R1.400 CC1(C[C@@H]1C(=O)CCF)C 1458a_100000692687_100011217306 [0,0,0,1,0,1|2,0,0]=4 6757 B10R1.400 CC1(C[C@@H]1C(=O)CCO)C 1458a_100000692687_100000211926 [0,0,0,1,0,1|2,0,0]=4 6758 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,0,0,1,0,1|1,0,0]=3 6759 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,0,0,1,0,1|1,0,0]=3 6760 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,0,0,1,0,1|1,0,0]=3 6761 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,0,0,1,0,1|1,0,0]=3 6762 B10R1.400 CNNC(=O)[C@H]1CC1(C)C 22a_100016993582_100000692687 [0,0,0,1,0,1|2,0,0]=4 6763 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 34a_200000691454_200025704644 [0,1,0,1,0,0|1,0,1]=4 6764 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 7a_200000691454_200025704644 [0,1,0,1,0,0|1,0,1]=4 6765 B10R1.8 CNC1CC(OC(C1)C)C 270004a_106832991635_200102525066 [0,1,0,1,0,0|1,0,1]=4 6766 B10R1.8 COC1CC(OC(C1)C)C 34a_200000691454_200000210301 [0,1,0,1,0,0|1,0,1]=4 6767 B10R1.8 COC1CC(OC(C1)C)C 7a_200000691454_200000210301 [0,1,0,1,0,0|1,0,1]=4 6768 B10R1.16 CC1CCC(C1)OCCF 34a_100000698185_100011217306 [0,1,0,1,0,0|1,0,1]=4 6769 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [0,1,0,1,0,0|1,0,1]=4 6770 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,1,0,0|1,0,1]=4 6771 B10R1.16 CCNN=C1CCC(C1)C 4a_100000756455_100011215218 [0,1,0,1,0,0|2,0,0]=4 6772 B10R1.16 CCOCN1CC[C@H](C1)C 269982a_100016987628_100000739092 [0,1,0,1,0,0|2,0,0]=4 6773 B10R1.16 CSCOC1CCC(C1)C 34a_100000698185_100011218213 [0,1,0,1,0,0|1,0,1]=4 6774 B10R1.18 CC(C)CN1CCCOC1 2230a_100000131196_100000210760 [0,1,0,1,0,0|2,0,0]=4 6775 B10R1.18 CC(C)CN1CCCOC1 269982a_100000131196_100000210624 [0,1,0,1,0,0|2,0,0]=4 6776 B10R1.18 CC(C)CN1CCCOC1 270004a_100000131196_100000210432 [0,1,0,1,0,0|2,0,0]=4 6777 B10R1.18 CC(C)CN1CCCOC1 34a_100000131196_100000210624 [0,1,0,1,0,0|2,0,0]=4 6778 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,1,0,1,0,0|1,0,1]=4 6779 B10R1.54 Cc1nc(no1)CC(C)C 270196a_100000210173_100000070787 [0,1,0,1,0,0|1,0,1]=4 6780 B10R1.54 Cc1noc(n1)CC(C)C 270196a_100000212224_100000210554 [0,1,0,1,0,0|1,0,1]=4 6781 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,1,0,1,0,0|2,0,0]=4 6782 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 6783 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 6784 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,1,0,1,0,0|1,0,1]=4 6785 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,1,0,1,0,0|1,0,0]=3 6786 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [0,1,0,1,0,0|1,0,0]=3 6787 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,1,0,1,0,0|1,0,0]=3 6788 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,1,0,1,0,0|1,0,0]=3 6789 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,1,0,1,0,0|1,0,0]=3 6790 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 6791 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 6792 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 6793 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,1,0,1,0,0|1,0,0]=3 6794 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,1,0,1,0,0|2,0,0]=4 6795 B10R1.110 CC1CC1C(=O)CC(F)F 1458a_100000211227_100011934356 [0,1,0,1,0,0|2,0,0]=4 6796 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,1,0,1,0,0|2,0,0]=4 6797 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,1,0,1,0,0|1,0,0]=3 6798 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,1,0,1,0,0|1,1,0]=4 6799 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,1,0,1,0,0|1,1,0]=4 6800 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000692101_100000742324 [0,1,0,1,0,0|1,0,1]=4 6801 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000738066_100000753159 [0,1,0,1,0,0|1,0,1]=4 6802 B10R1.180 C#CCNC(=O)CC1CC1 11a_100000212058_100000738066 [0,1,0,1,0,0|1,0,1]=4 6803 B10R1.180 C#CCNC(=O)CC1CC1 1626a_100000212058_100000738066 [0,1,0,1,0,0|1,0,1]=4 6804 B10R1.180 C#CCNC(=O)CC1CC1 240690a_100000212058_100000738066 [0,1,0,1,0,0|1,0,1]=4 6805 B10R1.180 C#CCNC(=O)CC1CC1 527a_100000212058_100000738066 [0,1,0,1,0,0|1,0,1]=4 6806 B10R1.180 C/C=C/CC(=O)CC1CC1 1458a_100000738066_100102629194 [0,1,0,1,0,0|1,0,1]=4 6807 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [0,1,0,1,0,0|1,0,1]=4 6808 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [0,1,0,1,0,0|1,0,1]=4 6809 B10R1.180 C=CCNC(=O)CC1CC1 1626a_100020586998_100000738066 [0,1,0,1,0,0|1,0,1]=4 6810 B10R1.180 C=CCNC(=O)CC1CC1 240690a_100020586998_100000738066 [0,1,0,1,0,0|1,0,1]=4 6811 B10R1.180 C=CCNC(=O)CC1CC1 527a_100020586998_100000738066 [0,1,0,1,0,0|1,0,1]=4 6812 B10R1.180 CC#CCC(=O)CC1CC1 1458a_100000738066_100000748600 [0,1,0,1,0,0|1,0,1]=4 6813 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100000738066_100000070051 [0,1,0,1,0,0|1,0,1]=4 6814 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100121576822_100000742324 [0,1,0,1,0,0|1,0,1]=4 6815 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [0,1,0,1,0,0|1,0,0]=3 6816 B10R1.180 CCC#CC(=O)CC1CO1 1458a_100011827653_100011216344 [0,1,0,1,0,0|2,0,0]=4 6817 B10R1.180 CCC#CC(=O)CC1CS1 1458a_100011827653_100000031435 [0,1,0,1,0,0|2,0,0]=4 6818 B10R1.180 CCC#CC(=O)C[C@@H]1CO1 1458a_100011827653_100000745022 [0,1,0,1,0,0|2,0,0]=4 6819 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,1,0,1,0,0|1,0,0]=3 6820 B10R1.180 CCC=CC(=O)CC1CO1 1458a_100000212282_100011216344 [0,1,0,1,0,0|2,0,0]=4 6821 B10R1.180 CCC=CC(=O)CC1CS1 1458a_100000212282_100000031435 [0,1,0,1,0,0|2,0,0]=4 6822 B10R1.180 CCC=CC(=O)C[C@@H]1CO1 1458a_100000212282_100000745022 [0,1,0,1,0,0|2,0,0]=4 6823 B10R1.180 CCC=CC(=O)NC1CC1 1626a_100000212008_100000212282 [0,1,0,1,0,0|2,0,0]=4 6824 B10R1.180 CCC=CC(=O)NC1CC1 240690a_100000212008_100000212282 [0,1,0,1,0,0|2,0,0]=4 6825 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,1,0,1,0,0|1,0,0]=3 6826 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,1,0,1,0,0|1,0,0]=3 6827 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|2,0,0]=4 6828 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,1,0,1,0,0|2,0,0]=4 6829 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|2,0,0]=4 6830 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [0,1,0,1,0,0|2,0,0]=4 6831 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [0,1,0,1,0,0|2,0,0]=4 6832 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [0,1,0,1,0,0|2,0,0]=4 6833 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 6834 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 6835 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 6836 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 6837 B10R1.180 CCCNC(=O)NC1CC1 2708a_100000212008_100020643023 [0,1,0,1,0,0|2,0,0]=4 6838 B10R1.180 CCCNC(=O)NC1CC1 2708a_100020643023_100000212008 [0,1,0,1,0,0|2,0,0]=4 6839 B10R1.180 CCCNC(=O)NC1CC1 273464a_100000212008_100020643023 [0,1,0,1,0,0|2,0,0]=4 6840 B10R1.180 CCCNC(=O)NC1CC1 273464a_100020643023_100000212008 [0,1,0,1,0,0|2,0,0]=4 6841 B10R1.180 CCCNC(=O)NC1CC1 512a_100000212008_100020643023 [0,1,0,1,0,0|2,0,0]=4 6842 B10R1.180 CCNCC(=O)NC1CC1 2230a_100000702991_100000210202 [0,1,0,1,0,0|2,0,0]=4 6843 B10R1.180 CCNCC(=O)NC1CC1 2230a_100015525214_100000182950 [0,1,0,1,0,0|2,0,0]=4 6844 B10R1.180 CCNN=C(C)CC1CC1 4a_100000756455_200000686933 [0,1,0,1,0,0|2,0,0]=4 6845 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [0,1,0,1,0,0|1,0,0]=3 6846 B10R1.180 CCNNC(=O)NC1CC1 273464a_100000212008_100000756455 [0,1,0,1,0,0|2,0,0]=4 6847 B10R1.180 CCNNC(=O)NC1CC1 512a_100000212008_100000756455 [0,1,0,1,0,0|2,0,0]=4 6848 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,1,0,1,0,0|0,0,0]=2 6849 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|1,0,0]=3 6850 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,1,0,1,0,0|1,0,0]=3 6851 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|1,0,0]=3 6852 B10R1.180 CCOCC(=O)NC1CC1 1626a_100000212008_100000211967 [0,1,0,1,0,0|1,0,0]=3 6853 B10R1.180 CCOCC(=O)NC1CC1 240690a_100000212008_100000211967 [0,1,0,1,0,0|1,0,0]=3 6854 B10R1.180 CCOCC(=O)NC1CC1 34a_100121572206_100000182950 [0,1,0,1,0,0|1,0,0]=3 6855 B10R1.180 CCOCC(=O)NC1CC1 527a_100000212008_100000211967 [0,1,0,1,0,0|1,0,0]=3 6856 B10R1.180 CCOCN(C)CC1CC1 269982a_100000741881_100000739092 [0,1,0,1,0,0|2,0,0]=4 6857 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [0,1,0,1,0,0|0,1,0]=3 6858 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [0,1,0,1,0,0|1,1,0]=4 6859 B10R1.180 CCSCC(=O)CC1CS1 1458a_100000230394_100000031435 [0,1,0,1,0,0|1,1,0]=4 6860 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [0,1,0,1,0,0|1,1,0]=4 6861 B10R1.180 CCSCC(=O)NC1CC1 1626a_100000212008_100000230394 [0,1,0,1,0,0|1,1,0]=4 6862 B10R1.180 CCSCC(=O)NC1CC1 240690a_100000212008_100000230394 [0,1,0,1,0,0|1,1,0]=4 6863 B10R1.180 CCSCC(=O)NC1CC1 527a_100000212008_100000230394 [0,1,0,1,0,0|1,1,0]=4 6864 B10R1.180 CCSCC(=O)NC1CC1 62a_100000182950_100000210202 [0,1,0,1,0,0|1,1,0]=4 6865 B10R1.180 CCSCC(=O)NC1CC1 62a_100000210202_100000182950 [0,1,0,1,0,0|1,1,0]=4 6866 B10R1.180 CNCCC(=O)NC1CC1 2230a_106832991635_100000737409 [0,1,0,1,0,0|2,0,0]=4 6867 B10R1.180 CNCCC(=O)NC1CC1 34a_100102657272_100000737409 [0,1,0,1,0,0|2,0,0]=4 6868 B10R1.180 COC=CC(=O)CC1CC1 1458a_100016268678_100000742324 [0,1,0,1,0,0|1,0,1]=4 6869 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [0,1,0,1,0,0|1,0,0]=3 6870 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [0,1,0,1,0,0|1,0,0]=3 6871 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,1,0,1,0,0|2,0,0]=4 6872 B10R1.180 COCCC(=O)CC1CS1 1458a_100000749529_100000031435 [0,1,0,1,0,0|2,0,0]=4 6873 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,1,0,1,0,0|2,0,0]=4 6874 B10R1.180 COCCC(=O)NC1CC1 1626a_100000212008_100000749529 [0,1,0,1,0,0|2,0,0]=4 6875 B10R1.180 COCCC(=O)NC1CC1 240690a_100000212008_100000749529 [0,1,0,1,0,0|2,0,0]=4 6876 B10R1.180 COCCC(=O)NC1CC1 34a_100138415774_100000737409 [0,1,0,1,0,0|2,0,0]=4 6877 B10R1.180 COCCC(=O)NC1CC1 527a_100000212008_100000749529 [0,1,0,1,0,0|2,0,0]=4 6878 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [0,1,0,1,0,0|1,0,0]=3 6879 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [0,1,0,1,0,0|1,0,0]=3 6880 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,1,0,1,0,0|2,0,0]=4 6881 B10R1.180 CSCCC(=O)CC1CS1 1458a_100000174002_100000031435 [0,1,0,1,0,0|2,0,0]=4 6882 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,1,0,1,0,0|2,0,0]=4 6883 B10R1.180 CSCCC(=O)NC1CC1 1626a_100000212008_100000174002 [0,1,0,1,0,0|2,0,0]=4 6884 B10R1.180 CSCCC(=O)NC1CC1 240690a_100000212008_100000174002 [0,1,0,1,0,0|2,0,0]=4 6885 B10R1.180 CSCCC(=O)NC1CC1 527a_100000212008_100000174002 [0,1,0,1,0,0|2,0,0]=4 6886 B10R1.180 CSCCC(=O)NC1CC1 62a_100000737409_200000210301 [0,1,0,1,0,0|2,0,0]=4 6887 B10R1.180 CSCCC(=O)NC1CC1 62a_200000210301_100000737409 [0,1,0,1,0,0|2,0,0]=4 6888 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100000738066_100011215226 [0,1,0,1,0,0|1,0,1]=4 6889 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100011934036_100000742324 [0,1,0,1,0,0|1,0,1]=4 6890 B10R1.180 N#CCNC(=O)CC1CC1 1626a_100000734998_100000738066 [0,1,0,1,0,0|1,0,1]=4 6891 B10R1.180 N#CCNC(=O)CC1CC1 527a_100000734998_100000738066 [0,1,0,1,0,0|1,0,1]=4 6892 B10R1.180 O=C(C#CCO)CC1CC1 1458a_100000049017_100000742324 [0,1,0,1,0,0|1,0,1]=4 6893 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [0,1,0,1,0,0|1,0,0]=3 6894 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [0,1,0,1,0,0|1,0,0]=3 6895 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [0,1,0,1,0,0|1,0,0]=3 6896 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [0,1,0,1,0,0|1,0,0]=3 6897 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,1,0,1,0,0|1,0,0]=3 6898 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,1,0,1,0,0|1,0,0]=3 6899 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [0,1,0,1,0,0|1,0,0]=3 6900 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,1,0,1,0,0|1,0,0]=3 6901 B10R1.180 O=C(NCCF)NC1CC1 2708a_100000212008_100000724931 [0,1,0,1,0,0|2,0,0]=4 6902 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000212008_100000724931 [0,1,0,1,0,0|2,0,0]=4 6903 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000724931_100000212008 [0,1,0,1,0,0|2,0,0]=4 6904 B10R1.180 O=C(NCCF)NC1CC1 512a_100000212008_100000724931 [0,1,0,1,0,0|2,0,0]=4 6905 B10R1.180 O=C(NCCO)NC1CC1 2708a_100000212008_100000210304 [0,1,0,1,0,0|2,0,0]=4 6906 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000210304_100000212008 [0,1,0,1,0,0|2,0,0]=4 6907 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000212008_100000210304 [0,1,0,1,0,0|2,0,0]=4 6908 B10R1.180 O=C(NCCO)NC1CC1 512a_100000212008_100000210304 [0,1,0,1,0,0|2,0,0]=4 6909 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_100000737409_200025704644 [0,1,0,1,0,0|2,0,0]=4 6910 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_200025704644_100000737409 [0,1,0,1,0,0|2,0,0]=4 6911 B10R1.192 CN(C)C1C(=O)COC1=O 269982a_100102631434_100000032967 [0,1,0,1,0,0|1,0,1]=4 6912 B10R1.218 CCOCN1CC(C1)(C)C 269982a_100000753659_100000739092 [0,1,0,1,0,0|2,0,0]=4 6913 B10R1.266 C=C(C)CC(=O)C1CCO1 1458a_100000089072_100000748629 [0,1,0,1,0,0|0,0,2]=4 6914 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,1,0,1,0,0|1,0,0]=3 6915 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,1,0,1,0,0|1,0,0]=3 6916 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,1,0,1,0,0|0,0,0]=2 6917 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [0,1,0,1,0,0|1,0,0]=3 6918 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [0,1,0,1,0,0|1,0,0]=3 6919 B10R1.266 CC(C)CC(=O)N1CCC1 11a_100000754969_100000210554 [0,1,0,1,0,0|1,0,0]=3 6920 B10R1.266 CC(C)CC(=O)N1CCC1 240690a_100000754969_100000210554 [0,1,0,1,0,0|1,0,0]=3 6921 B10R1.266 CC(C)CC(=O)N1CCC1 527a_100000754969_100000210554 [0,1,0,1,0,0|1,0,0]=3 6922 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6923 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6924 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6925 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6926 B10R1.266 CC(C)NC(=O)C1CCO1 11a_100138425928_100000089072 [0,1,0,1,0,0|1,0,0]=3 6927 B10R1.266 CC(C)NC(=O)C1CCO1 1626a_100138425928_100000089072 [0,1,0,1,0,0|1,0,0]=3 6928 B10R1.266 CC(C)NC(=O)C1CCO1 240690a_100138425928_100000089072 [0,1,0,1,0,0|1,0,0]=3 6929 B10R1.266 CC(C)NC(=O)C1CCO1 527a_100138425928_100000089072 [0,1,0,1,0,0|1,0,0]=3 6930 B10R1.266 CC(C)NC(=O)C1COC1 11a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6931 B10R1.266 CC(C)NC(=O)C1COC1 1626a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6932 B10R1.266 CC(C)NC(=O)C1COC1 240690a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6933 B10R1.266 CC(C)NC(=O)C1COC1 527a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6934 B10R1.266 CC(C)NC(=O)N1CCC1 2708a_100138425928_100000754969 [0,1,0,1,0,0|2,0,0]=4 6935 B10R1.266 CC(C)NC(=O)N1CCC1 273464a_100138425928_100000754969 [0,1,0,1,0,0|2,0,0]=4 6936 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,1,0,1,0,0|2,0,0]=4 6937 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,1,0,1,0,0|1,0,0]=3 6938 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [0,1,0,1,0,0|2,0,0]=4 6939 B10R1.266 CN(C)CC(=O)C1CCC1 1458a_100000750896_100000749161 [0,1,0,1,0,0|2,0,0]=4 6940 B10R1.266 CN(C)CC(=O)C1CCC1 2230a_100102631434_100000686122 [0,1,0,1,0,0|2,0,0]=4 6941 B10R1.266 CN(C)CC(=O)C1CCC1 269982a_100102631434_100000686122 [0,1,0,1,0,0|2,0,0]=4 6942 B10R1.266 CN(C)CC(=O)C1COC1 1458a_100000750896_100000687716 [0,1,0,1,0,0|2,0,0]=4 6943 B10R1.266 CN(C)CC(=O)N1CCC1 11a_100000754969_100000750896 [0,1,0,1,0,0|2,0,0]=4 6944 B10R1.266 CN(C)CC(=O)N1CCC1 2230a_100102631434_100000185095 [0,1,0,1,0,0|2,0,0]=4 6945 B10R1.266 CN(C)CC(=O)N1CCC1 240690a_100000754969_100000750896 [0,1,0,1,0,0|2,0,0]=4 6946 B10R1.266 CN(C)CC(=O)N1CCC1 269982a_100102631434_100000185095 [0,1,0,1,0,0|2,0,0]=4 6947 B10R1.266 CN(C)CC(=O)N1CCC1 527a_100000754969_100000750896 [0,1,0,1,0,0|2,0,0]=4 6948 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,1,0,1,0,0|2,0,0]=4 6949 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [0,1,0,1,0,0|2,0,0]=4 6950 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [0,1,0,1,0,0|2,0,0]=4 6951 B10R1.266 C[S+](C)CC(=O)C1CCC1 1458a_200159257847_100000749161 [0,1,0,1,0,0|2,0,0]=4 6952 B10R1.266 C[S+](C)CC(=O)C1COC1 1458a_200159257847_100000687716 [0,1,0,1,0,0|2,0,0]=4 6953 B10R1.266 C[S+](C)CC(=O)N1CCC1 11a_100000754969_200159257847 [0,1,0,1,0,0|2,0,0]=4 6954 B10R1.266 C[S+](C)CC(=O)N1CCC1 240690a_100000754969_200159257847 [0,1,0,1,0,0|2,0,0]=4 6955 B10R1.266 C[S+](C)CC(=O)N1CCC1 527a_100000754969_200159257847 [0,1,0,1,0,0|2,0,0]=4 6956 B10R1.266 O=C(CC(F)F)C1CCO1 1458a_100000089072_100011934356 [0,1,0,1,0,0|2,0,0]=4 6957 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,1,0,1,0,0|1,0,1]=4 6958 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,1,0,1,0,0|1,0,1]=4 6959 B10R1.268 CC(=CC(=O)CC1CC1)Cl 1458a_200042562850_100000742324 [0,1,0,1,0,0|1,0,1]=4 6960 B10R1.268 CC(=CC(=O)CC1CC1)I 1458a_100025716642_100000742324 [0,1,0,1,0,0|1,0,1]=4 6961 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,1,0,1,0,0|1,0,0]=3 6962 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,1,0,1,0,0|1,0,0]=3 6963 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,1,0,1,0,0|1,0,0]=3 6964 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [0,1,0,1,0,0|1,0,0]=3 6965 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,1,0,1,0,0|1,0,0]=3 6966 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [0,1,0,1,0,0|1,0,0]=3 6967 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [0,1,0,1,0,0|1,0,0]=3 6968 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [0,1,0,1,0,0|1,0,0]=3 6969 B10R1.268 CC(C)CC(C)OC1CC1 34a_100000211805_100000211595 [0,1,0,1,0,0|1,0,1]=4 6970 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,1,0,1,0,0|1,0,0]=3 6971 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,1,0,1,0,0|1,0,0]=3 6972 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,1,0,1,0,0|1,0,0]=3 6973 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,1,0,1,0,0|1,0,0]=3 6974 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100000212008_100138425928 [0,1,0,1,0,0|2,0,0]=4 6975 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100138425928_100000212008 [0,1,0,1,0,0|2,0,0]=4 6976 B10R1.268 CC(C)NC(=O)NC1CC1 273464a_100138425928_100000212008 [0,1,0,1,0,0|2,0,0]=4 6977 B10R1.268 CC(C)NC(=O)NC1CC1 512a_100000212008_100138425928 [0,1,0,1,0,0|2,0,0]=4 6978 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,1,0,1,0,0|1,0,0]=3 6979 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [0,1,0,1,0,0|2,0,0]=4 6980 B10R1.268 CN(C)CC(=O)CC1CO1 1458a_100000750896_100011216344 [0,1,0,1,0,0|2,0,0]=4 6981 B10R1.268 CN(C)CC(=O)CC1CS1 1458a_100000750896_100000031435 [0,1,0,1,0,0|2,0,0]=4 6982 B10R1.268 CN(C)CC(=O)C[C@@H]1CO1 1458a_100000750896_100000745022 [0,1,0,1,0,0|2,0,0]=4 6983 B10R1.268 CN(C)CC(=O)NC1CC1 2230a_100102631434_100000182950 [0,1,0,1,0,0|2,0,0]=4 6984 B10R1.268 CN(C)CC(=O)NC1CC1 240690a_100000212008_100000750896 [0,1,0,1,0,0|2,0,0]=4 6985 B10R1.268 CN(C)CC(=O)NC1CC1 269982a_100102631434_100000182950 [0,1,0,1,0,0|2,0,0]=4 6986 B10R1.268 CN(C)CC(=O)NC1CC1 527a_100000212008_100000750896 [0,1,0,1,0,0|2,0,0]=4 6987 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,1,0,1,0,0|1,0,0]=3 6988 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,1,0,1,0,0|2,0,0]=4 6989 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,1,0,1,0,0|2,0,0]=4 6990 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,1,0,1,0,0|2,0,0]=4 6991 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [0,1,0,1,0,0|2,0,0]=4 6992 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [0,1,0,1,0,0|2,0,0]=4 6993 B10R1.268 C[S+](C)CC(=O)CC1CO1 1458a_200159257847_100011216344 [0,1,0,1,0,0|2,0,0]=4 6994 B10R1.268 C[S+](C)CC(=O)CC1CS1 1458a_200159257847_100000031435 [0,1,0,1,0,0|2,0,0]=4 6995 B10R1.268 C[S+](C)CC(=O)C[C@@H]1CO1 1458a_200159257847_100000745022 [0,1,0,1,0,0|2,0,0]=4 6996 B10R1.268 C[S+](C)CC(=O)NC1CC1 1626a_100000212008_200159257847 [0,1,0,1,0,0|2,0,0]=4 6997 B10R1.268 C[S+](C)CC(=O)NC1CC1 240690a_100000212008_200159257847 [0,1,0,1,0,0|2,0,0]=4 6998 B10R1.268 C[S+](C)CC(=O)NC1CC1 527a_100000212008_200159257847 [0,1,0,1,0,0|2,0,0]=4 6999 B10R1.268 O=C(CC(F)F)CC1CC1 1458a_100000738066_100011934356 [0,1,0,1,0,0|2,0,0]=4 7000 B10R1.293 C#CCCC(=O)C1CC1C 1458a_100000211227_100000753159 [0,1,0,1,0,0|1,0,1]=4 7001 B10R1.293 C#CCNC(=O)C1CC1C 11a_100000212058_100000211227 [0,1,0,1,0,0|1,0,1]=4 7002 B10R1.293 C#CCNC(=O)C1CC1C 1626a_100000212058_100000211227 [0,1,0,1,0,0|1,0,1]=4 7003 B10R1.293 C#CCNC(=O)C1CC1C 527a_100000212058_100000211227 [0,1,0,1,0,0|1,0,1]=4 7004 B10R1.293 C/C=C/CC(=O)C1CC1C 1458a_100000211227_100102629194 [0,1,0,1,0,0|1,0,1]=4 7005 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [0,1,0,1,0,0|1,0,1]=4 7006 B10R1.293 C=CCNC(=O)C1CC1C 1626a_100020586998_100000211227 [0,1,0,1,0,0|1,0,1]=4 7007 B10R1.293 C=CCNC(=O)C1CC1C 527a_100020586998_100000211227 [0,1,0,1,0,0|1,0,1]=4 7008 B10R1.293 CC#CCC(=O)C1CC1C 1458a_100000211227_100000748600 [0,1,0,1,0,0|1,0,1]=4 7009 B10R1.293 CC1CC1C(=O)CCC#N 1458a_100000211227_100011215226 [0,1,0,1,0,0|1,0,1]=4 7010 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,1,0,1,0,0|1,0,0]=3 7011 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,1,0,1,0,0|1,0,0]=3 7012 B10R1.293 CC1CC1C(=O)NCC#N 1626a_100000734998_100000211227 [0,1,0,1,0,0|1,0,1]=4 7013 B10R1.293 CC1CC1C(=O)NCC#N 527a_100000734998_100000211227 [0,1,0,1,0,0|1,0,1]=4 7014 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,1,0,1,0,0|1,0,0]=3 7015 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,1,0,1,0,0|1,0,0]=3 7016 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,1,0,1,0,0|1,0,0]=3 7017 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,1,0,1,0,0|1,0,0]=3 7018 B10R1.293 CC=CCC(=O)C1CC1C 1458a_100000211227_100000070051 [0,1,0,1,0,0|1,0,1]=4 7019 B10R1.293 CC=NNC(=O)C1CC1C 4a_100000189827_200000210099 [0,1,0,1,0,0|1,0,1]=4 7020 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|1,0,0]=3 7021 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|2,0,0]=4 7022 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 7023 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 7024 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 7025 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 7026 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 7027 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 7028 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [0,1,0,1,0,0|1,0,0]=3 7029 B10R1.293 CCNNC(=O)[C@@H]1C[C@@H]1F 22a_100000756455_100015396687 [0,1,0,1,0,0|2,0,0]=4 7030 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,1,0,1,0,0|1,0,0]=3 7031 B10R1.293 COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233755 [0,1,0,1,0,0|2,0,0]=4 7032 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [0,1,0,1,0,0|1,0,0]=3 7033 B10R1.293 CSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000751147 [0,1,0,1,0,0|2,0,0]=4 7034 B10R1.293 O=C(CCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011934791 [0,1,0,1,0,0|2,0,0]=4 7035 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [0,1,0,1,0,0|2,0,0]=4 7036 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 11a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 7037 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 240690a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 7038 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 527a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 7039 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 240690a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 7040 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 527a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 7041 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 7042 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 7043 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 7044 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 7045 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 7046 B10R1.212 CCCC(=O)N(C)C1CC1 11a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 7047 B10R1.212 CCCC(=O)N(C)C1CC1 1626a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 7048 B10R1.212 CCCC(=O)N(C)C1CC1 240690a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 7049 B10R1.212 CCCC(=O)N(C)C1CC1 527a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 7050 B10R1.212 CCNC(=O)N(C)C1CC1 2708a_100015525214_100000226674 [0,1,0,1,0,0|2,0,0]=4 7051 B10R1.212 CCNC(=O)N(C)C1CC1 273464a_100015525214_100000226674 [0,1,0,1,0,0|2,0,0]=4 7052 B10R1.278 CC(C)N(C)C(=O)C1CC1 11a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 7053 B10R1.278 CC(C)N(C)C(=O)C1CC1 1626a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 7054 B10R1.278 CC(C)N(C)C(=O)C1CC1 240690a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 7055 B10R1.278 CC(C)N(C)C(=O)C1CC1 527a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 7056 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|1,0,1]=4 7057 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,1,0,1,0,0|1,0,1]=4 7058 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,1,0,1,0,0|1,0,1]=4 7059 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|2,0,0]=4 7060 B10R1.25 CCN1CCN(CC1=O)C 2230a_100000701330_200000210301 [0,1,0,1,0,0|2,0,0]=4 7061 B10R1.25 CCN1CCN(CC1=O)C 269982a_100000701330_200000210301 [0,1,0,1,0,0|2,0,0]=4 7062 B10R1.25 CCN1CCN(CC1=O)[13CH3] 2230a_100000701330_200025704644 [0,1,0,1,0,0|2,0,0]=4 7063 B10R1.25 CCN1CCN(CC1=O)[13CH3] 269982a_100000701330_200025704644 [0,1,0,1,0,0|2,0,0]=4 7064 B10R1.184 C/C=C(\C)/C(=O)CC1CC1 1458a_100020587367_100000742324 [0,1,0,1,0,0|1,0,1]=4 7065 B10R1.184 CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210202 [0,1,0,1,0,0|2,0,0]=4 7066 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|1,0,0]=3 7067 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|1,0,0]=3 7068 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,1,0,1,0,0|2,0,0]=4 7069 B10R1.184 CCC(C)C(=O)CC1CS1 1458a_100011192722_100000031435 [0,1,0,1,0,0|2,0,0]=4 7070 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,1,0,1,0,0|2,0,0]=4 7071 B10R1.184 CCC(C)C(=O)NC1CC1 1626a_100000212008_100011192722 [0,1,0,1,0,0|2,0,0]=4 7072 B10R1.184 CCC(C)C(=O)NC1CC1 240690a_100000212008_100011192722 [0,1,0,1,0,0|2,0,0]=4 7073 B10R1.184 CCC(C)C(=O)NC1CC1 527a_100000212008_100011192722 [0,1,0,1,0,0|2,0,0]=4 7074 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|1,0,0]=3 7075 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|2,0,0]=4 7076 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|2,0,0]=4 7077 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|2,0,0]=4 7078 B10R1.184 CCC(O)C(=O)NC1CC1 240690a_100000212008_100011196387 [0,1,0,1,0,0|2,0,0]=4 7079 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 7080 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 7081 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 7082 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 7083 B10R1.184 CCN(C)C(=O)NC1CC1 2708a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 7084 B10R1.184 CCN(C)C(=O)NC1CC1 273464a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 7085 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|2,0,0]=4 7086 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|2,0,0]=4 7087 B10R1.184 CSC(C)C(=O)CC1CC1 1458a_100000149566_100000742324 [0,1,0,1,0,0|2,0,0]=4 7088 B10R1.184 O=C(CC1CC1)C(O)CO 1458a_100011215603_100000742324 [0,1,0,1,0,0|2,0,0]=4 7089 B10R1.194 CN1CCC(C1=O)N(C)C 2230a_100102631434_100000755940 [0,1,0,1,0,0|2,0,0]=4 7090 B10R1.194 CN1CCC(C1=O)N(C)C 269982a_100102631434_100000755940 [0,1,0,1,0,0|2,0,0]=4 7091 B10R1.267 CC(C)CC(=O)C1(CC1)C 1458a_100000756474_100000210624 [0,1,0,1,0,0|1,0,0]=3 7092 B10R1.267 CC(C)CC(=O)C1(CC1)F 1458a_100000055089_100000210624 [0,1,0,1,0,0|1,0,0]=3 7093 B10R1.267 CC(C)CC(=O)C1(CC1)O 1458a_100000241761_100000210624 [0,1,0,1,0,0|1,0,0]=3 7094 B10R1.267 CC(C)NC(=O)C1(CC1)C 11a_100138425928_100000756474 [0,1,0,1,0,0|2,0,0]=4 7095 B10R1.267 CC(C)NC(=O)C1(CC1)C 1626a_100138425928_100000756474 [0,1,0,1,0,0|2,0,0]=4 7096 B10R1.267 CC(C)NC(=O)C1(CC1)C 240690a_100138425928_100000756474 [0,1,0,1,0,0|2,0,0]=4 7097 B10R1.267 CC(C)NC(=O)C1(CC1)C 527a_100138425928_100000756474 [0,1,0,1,0,0|2,0,0]=4 7098 B10R1.267 CC(C)NC(=O)C1(CC1)F 11a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 7099 B10R1.267 CC(C)NC(=O)C1(CC1)F 1626a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 7100 B10R1.267 CC(C)NC(=O)C1(CC1)F 240690a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 7101 B10R1.267 CC(C)NC(=O)C1(CC1)F 527a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 7102 B10R1.267 CC(C)NC(=O)C1(CC1)O 240690a_100138425928_100000241761 [0,1,0,1,0,0|2,0,0]=4 7103 B10R1.267 CC(O)CC(=O)C1(CC1)C 1458a_100000756474_100011218427 [0,1,0,1,0,0|2,0,0]=4 7104 B10R1.267 CC(O)CC(=O)C1(CC1)F 1458a_100000055089_100011218427 [0,1,0,1,0,0|2,0,0]=4 7105 B10R1.267 CC(O)CC(=O)C1(CC1)O 1458a_100000241761_100011218427 [0,1,0,1,0,0|2,0,0]=4 7106 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 7107 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 7108 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 7109 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 7110 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 7111 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 7112 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|1,0,0]=3 7113 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 7114 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 7115 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 7116 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 7117 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 7118 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 7119 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 7120 B10R1.35 CCN1CC(CC1=O)NC 2230a_100015184948_200000210301 [0,1,0,1,0,0|1,0,0]=3 7121 B10R1.35 CCN1CC(CC1=O)NC 34a_100015184948_200000210301 [0,1,0,1,0,0|1,0,0]=3 7122 B10R1.35 CCN1CC(CC1=O)N[13CH3] 2230a_100015184948_200025704644 [0,1,0,1,0,0|1,0,0]=3 7123 B10R1.35 CCN1CC(CC1=O)N[13CH3] 34a_100015184948_200025704644 [0,1,0,1,0,0|1,0,0]=3 7124 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|1,0,0]=3 7125 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,1,0,1,0,0|2,0,0]=4 7126 B10R1.134 CCC(C)NC(=O)C1CC1 11a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 7127 B10R1.134 CCC(C)NC(=O)C1CC1 1626a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 7128 B10R1.134 CCC(C)NC(=O)C1CC1 240690a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 7129 B10R1.134 CCC(C)NC(=O)C1CC1 527a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 7130 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|2,0,0]=4 7131 B10R1.134 CCN(C)CC(=O)C1CC1 2230a_100000225621_100000746382 [0,1,0,1,0,0|2,0,0]=4 7132 B10R1.134 CCN(C)CC(=O)C1CC1 269982a_100000225621_100000746382 [0,1,0,1,0,0|2,0,0]=4 7133 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|1,0,0]=3 7134 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,1,0,1,0,0|2,0,0]=4 7135 B10R1.134 C[C@@H](CO)CC(=O)C1CC1 1458a_100000210395_100000059175 [0,1,0,1,0,0|1,0,0]=3 7136 B10R1.134 C[C@@H](CO)CC(=O)C1CO1 1458a_100000701028_100000059175 [0,1,0,1,0,0|2,0,0]=4 7137 B10R1.134 C[C@H](CF)NC(=O)C1CC1 11a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 7138 B10R1.134 C[C@H](CF)NC(=O)C1CC1 1626a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 7139 B10R1.134 C[C@H](CF)NC(=O)C1CC1 240690a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 7140 B10R1.134 C[C@H](CF)NC(=O)C1CC1 527a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 7141 B10R1.134 C[C@H](CO)NC(=O)C1CC1 240690a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 7142 B10R1.134 C[C@H](CO)NC(=O)C1CC1 527a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 7143 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|2,0,0]=4 7144 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|2,0,0]=4 7145 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,1,0,1,0,0|2,0,0]=4 7146 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|1,0,0]=3 7147 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,1,0,1,0,0|1,0,1]=4 7148 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|1,0,0]=3 7149 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|1,0,0]=3 7150 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|1,0,0]=3 7151 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 11a_100015525214_100015294237 [0,1,0,1,0,0|1,0,1]=4 7152 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100015525214_100015294237 [0,1,0,1,0,0|1,0,1]=4 7153 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,1,0,1,0,0|1,0,1]=4 7154 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [0,1,0,1,0,0|1,0,1]=4 7155 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,1,0,1,0,0|1,0,1]=4 7156 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|1,0,1]=4 7157 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,1,0,1,0,0|1,0,1]=4 7158 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,1,0,1,0,0|1,0,1]=4 7159 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|1,0,0]=3 7160 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|1,0,0]=3 7161 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|1,0,0]=3 7162 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|1,0,0]=3 7163 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|1,0,0]=3 7164 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,1,0,1,0,0|2,0,0]=4 7165 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 7166 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 7167 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 7168 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 7169 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 7170 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 7171 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 7172 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 7173 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 7174 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 7175 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 7176 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 7177 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|1,0,0]=3 7178 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|1,0,0]=3 7179 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|1,0,0]=3 7180 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|1,0,0]=3 7181 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,1,0,1,0,0|2,0,0]=4 7182 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 7183 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 7184 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 7185 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 7186 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 7187 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 7188 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 7189 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 7190 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 7191 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 7192 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 7193 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 7194 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 7195 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 7196 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 7197 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 7198 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 7199 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|1,0,0]=3 7200 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,1,0,1,0,0|2,0,0]=4 7201 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,1,0,1,0,0|2,0,0]=4 7202 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|2,0,0]=4 7203 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|2,0,0]=4 7204 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|2,0,0]=4 7205 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|2,0,0]=4 7206 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|2,0,0]=4 7207 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,1,0,1,0,0|2,0,0]=4 7208 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|2,0,0]=4 7209 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,1,0,1,0,0|2,0,0]=4 7210 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|2,0,0]=4 7211 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|2,0,0]=4 7212 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|2,0,0]=4 7213 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|2,0,0]=4 7214 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|2,0,0]=4 7215 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|1,0,1]=4 7216 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [0,1,0,1,0,0|2,0,0]=4 7217 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [0,1,0,1,0,0|2,0,0]=4 7218 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|1,0,0]=3 7219 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|1,0,0]=3 7220 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,1,0,1,0,0|1,0,1]=4 7221 B10R1.181 CC#CC(=O)CC1(CO1)C 1458a_100000763181_100000760498 [0,1,0,1,0,0|1,0,1]=4 7222 B10R1.181 CC1(CC1)CC(=O)CCF 1458a_100000112800_100011217306 [0,1,0,1,0,0|2,0,0]=4 7223 B10R1.181 CC1(CC1)CC(=O)CCO 1458a_100000112800_100000211926 [0,1,0,1,0,0|2,0,0]=4 7224 B10R1.181 CC1(CO1)CC(=O)CCO 1458a_100011216618_100000760498 [0,1,0,1,0,0|2,0,0]=4 7225 B10R1.181 CC=CC(=O)CC1(CO1)C 1458a_100000210699_100000760498 [0,1,0,1,0,0|1,0,1]=4 7226 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,1,0,1,0,0|1,0,0]=3 7227 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [0,1,0,1,0,0|1,0,0]=3 7228 B10R1.181 CCCC(=O)NC1(CC1)C 11a_100000757604_100000211992 [0,1,0,1,0,0|2,0,0]=4 7229 B10R1.181 CCCC(=O)NC1(CC1)C 1626a_100000757604_100000211992 [0,1,0,1,0,0|2,0,0]=4 7230 B10R1.181 CCCC(=O)NC1(CC1)C 240690a_100000757604_100000211992 [0,1,0,1,0,0|2,0,0]=4 7231 B10R1.181 CCCC(=O)NC1(CC1)C 527a_100000757604_100000211992 [0,1,0,1,0,0|2,0,0]=4 7232 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,1,0,1,0,0|1,0,0]=3 7233 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,1,0,1,0,0|1,0,0]=3 7234 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,1,0,1,0,0|1,0,0]=3 7235 B10R1.181 CCNC(=O)NC1(CC1)C 2708a_100015525214_100000757604 [0,1,0,1,0,0|2,0,0]=4 7236 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100000757604_100015525214 [0,1,0,1,0,0|2,0,0]=4 7237 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100015525214_100000757604 [0,1,0,1,0,0|2,0,0]=4 7238 B10R1.181 CCNC(=O)NC1(CC1)C 512a_100000757604_100015525214 [0,1,0,1,0,0|2,0,0]=4 7239 B10R1.181 CNNC(=O)CC1(CC1)C 22a_100016993582_100000112800 [0,1,0,1,0,0|2,0,0]=4 7240 B10R1.181 COCC(=O)CC1(CO1)C 1458a_100000210968_100000760498 [0,1,0,1,0,0|2,0,0]=4 7241 B10R1.181 CSCC(=O)CC1(CO1)C 1458a_100000184570_100000760498 [0,1,0,1,0,0|2,0,0]=4 7242 B10R1.373 CC(C)(C)NC(=O)C1CC1 11a_100000715429_100000210395 [0,1,0,1,0,0|2,0,0]=4 7243 B10R1.373 CC(C)(C)NC(=O)C1CC1 1626a_100000715429_100000210395 [0,1,0,1,0,0|2,0,0]=4 7244 B10R1.373 CC(C)(C)NC(=O)C1CC1 240690a_100000715429_100000210395 [0,1,0,1,0,0|2,0,0]=4 7245 B10R1.373 CC(C)(C)NC(=O)C1CC1 527a_100000715429_100000210395 [0,1,0,1,0,0|2,0,0]=4 7246 B10R1.373 C[Si](C)(C)CC(=O)C1CC1 1458a_100000210395_100000233785 [0,1,0,1,0,0|1,1,0]=4 7247 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,2,0,0|1,0,1]=4 7248 B10R2.485 O=C(CC1CC1)C2CC2 1458a_100000210395_100000742324 [0,0,0,2,0,0|1,0,0]=3 7249 B10R2.485 O=C(CC1CC1)C2CO2 1458a_100000701028_100000742324 [0,0,0,2,0,0|2,0,0]=4 7250 B10R2.485 O=C(CC1CO1)C2CC2 1458a_100000210395_100011216344 [0,0,0,2,0,0|2,0,0]=4 7251 B10R2.485 O=C(CC1CS1)C2CC2 1458a_100000210395_100000031435 [0,0,0,2,0,0|2,0,0]=4 7252 B10R2.485 O=C(C[C@@H]1CO1)C2CC2 1458a_100000210395_100000745022 [0,0,0,2,0,0|2,0,0]=4 7253 B10R2.485 O=C(NC1CC1)C2CC2 1626a_100000212008_100000210395 [0,0,0,2,0,0|2,0,0]=4 7254 B10R2.485 O=C(NC1CC1)C2CC2 240690a_100000212008_100000210395 [0,0,0,2,0,0|2,0,0]=4 7255 B10R2.485 O=C(NC1CC1)C2CC2 527a_100000212008_100000210395 [0,0,0,2,0,0|2,0,0]=4 7256 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [1,0,0,0,1,0|0,0,2]=4 7257 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,1,0|0,0,2]=4 7258 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,0,0,0,1,0|0,0,2]=4 7259 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,0,0,1,0|1,0,0]=3 7260 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,1,0|1,0,0]=3 7261 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,0,0,1,0|1,0,1]=4 7262 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [1,0,0,0,1,0|2,0,0]=4 7263 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,1,0|0,0,0]=2 7264 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,1,0|0,0,0]=2 7265 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,1,0|1,0,0]=3 7266 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,0,0,1,0|2,0,0]=4 7267 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,1,0|1,0,0]=3 7268 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,1,0|1,0,0]=3 7269 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,1,0|1,0,0]=3 7270 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,1,0|1,0,0]=3 7271 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,1,0|1,0,0]=3 7272 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,1,0|1,0,0]=3 7273 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,0,0,0,1,0|2,0,0]=4 7274 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,0,0,0,1,0|2,0,0]=4 7275 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,0,0,0,1,0|2,0,0]=4 7276 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,0,0,0,1,0|2,0,0]=4 7277 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,0,0,0,1,0|2,0,0]=4 7278 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,0,0,0,1,0|2,0,0]=4 7279 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,0,0,0,1,0|2,0,0]=4 7280 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [1,0,0,0,1,0|2,0,0]=4 7281 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [1,0,0,0,1,0|2,0,0]=4 7282 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,0,0,1,0|1,0,0]=3 7283 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,0,0,1,0|1,0,0]=3 7284 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,0,0,1,0|1,0,0]=3 7285 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,0,0,1,0|1,0,0]=3 7286 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,0,0,0,1,0|2,0,0]=4 7287 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,0,0,0,1,0|2,0,0]=4 7288 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,0,0,0,1,0|2,0,0]=4 7289 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,0,0,0,1,0|2,0,0]=4 7290 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [1,0,0,0,1,0|2,0,0]=4 7291 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,0,0,1,0|2,0,0]=4 7292 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,0,0,1,0|2,0,0]=4 7293 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,0,0,1,0|2,0,0]=4 7294 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,0,0,1,0|1,0,1]=4 7295 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,1,0|2,0,0]=4 7296 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,1,0|2,0,0]=4 7297 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,0,0,0,0,2|0,0,2]=4 7298 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,0,0,0,0,2|0,0,2]=4 7299 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,0,0,0,0,2|0,0,2]=4 7300 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,0,0,0,0,2|0,0,2]=4 7301 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,0,0,0,0,2|0,0,2]=4 7302 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,0,0,0,0,2|0,0,2]=4 7303 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,0,0,0,0,2|0,0,2]=4 7304 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,0,0,0,0,2|0,0,2]=4 7305 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,0,0,0,0,2|1,0,1]=4 7306 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,0,0,0,0,2|1,0,1]=4 7307 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,0,0,0,0,2|1,0,1]=4 7308 B10R0.3 CC#CC(=O)NNCC(C)C 22a_100000696102_100000763181 [0,0,0,0,0,2|1,0,1]=4 7309 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [0,0,0,0,0,2|2,0,0]=4 7310 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,0,0,0,0,2|2,0,0]=4 7311 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,0,0,0,0,2|2,0,0]=4 7312 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,0,0,0,0,2|2,0,0]=4 7313 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,0,0,0,0,2|2,0,0]=4 7314 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,0,0,0,0,2|2,0,0]=4 7315 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,0,0,0,0,2|2,0,0]=4 7316 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,0,0,0,0,2|2,0,0]=4 7317 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,0,0,0,0,2|2,0,0]=4 7318 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,0,0,0,0,2|2,0,0]=4 7319 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,0,0,0,0,2|2,0,0]=4 7320 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,0,0,0,0,2|2,0,0]=4 7321 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,0,0,0,0,2|2,0,0]=4 7322 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,0,0,0,0,2|2,0,0]=4 7323 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,0,0,0,0,2|2,0,0]=4 7324 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,0,0,0,0,2|2,0,0]=4 7325 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,0,0,0,0,2|1,0,1]=4 7326 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,0,0,0,0,2|1,0,1]=4 7327 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,0,0,0,0,2|1,0,1]=4 7328 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,0,0,0,0,2|1,0,1]=4 7329 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,0,0,0,0,2|1,0,1]=4 7330 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,0,0,0,0,2|1,0,1]=4 7331 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [0,0,0,0,0,2|1,0,1]=4 7332 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,0,0,0,0,2|1,0,0]=3 7333 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,0,0,0,0,2|2,0,0]=4 7334 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,2|1,0,1]=4 7335 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,0,0,0,0,2|1,0,0]=3 7336 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,0,0,0,0,2|1,0,0]=3 7337 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,0,0,0,0,2|2,0,0]=4 7338 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,0,0,0,0,2|2,0,0]=4 7339 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,2|1,0,0]=3 7340 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,0,0,0,0,2|1,0,0]=3 7341 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,0,0,0,0,2|1,0,0]=3 7342 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,0,0,0,0,2|2,0,0]=4 7343 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,0,0,0,0,2|1,0,0]=3 7344 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,0,0,0,0,2|1,0,0]=3 7345 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,0,0,0,0,2|1,0,0]=3 7346 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,0,0,0,0,2|2,0,0]=4 7347 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,0,0,0,0,2|2,0,0]=4 7348 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,0,0,0,0,2|2,0,0]=4 7349 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,0,0,0,0,2|2,0,0]=4 7350 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,2|1,0,1]=4 7351 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,2|1,0,1]=4 7352 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,2|1,0,1]=4 7353 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,0,0,0,0,2|1,0,0]=3 7354 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,0,0,0,0,2|1,0,0]=3 7355 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,0,0,0,0,2|1,0,0]=3 7356 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,0,0,0,0,2|1,0,0]=3 7357 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,0,0,0,0,2|2,0,0]=4 7358 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,0,0,0,0,2|2,0,0]=4 7359 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,0,0,0,0,2|2,0,0]=4 7360 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,0,0,0,0,2|2,0,0]=4 7361 B10R0.3 CCCC(=O)NN=CC(C)C 4a_100000189770_100000210432 [0,0,0,0,0,2|1,0,1]=4 7362 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,0,0,0,0,2|1,0,0]=3 7363 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,0,0,0,0,2|2,0,0]=4 7364 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,0,0,0,0,2|1,0,0]=3 7365 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,0,0,0,0,2|1,0,0]=3 7366 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,0,0,0,0,2|1,0,0]=3 7367 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,0,0,0,0,2|1,0,0]=3 7368 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,0,0,0,0,2|1,0,0]=3 7369 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,0,0,0,0,2|1,0,0]=3 7370 B10R0.3 CCNC(=O)C=CCN(C)C 240690a_100015525214_100000754359 [0,0,0,0,0,2|2,0,0]=4 7371 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,0,0,0,0,2|1,0,0]=3 7372 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,0,0,0,0,2|1,0,0]=3 7373 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,0,0,0,0,2|1,0,0]=3 7374 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,0,0,0,0,2|2,0,0]=4 7375 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,0,0,0,0,2|2,0,0]=4 7376 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,0,0,0,0,2|2,0,0]=4 7377 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,0,0,0,0,2|1,0,0]=3 7378 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,0,0,0,0,2|1,0,0]=3 7379 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,0,0,0,0,2|1,0,0]=3 7380 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,0,0,0,0,2|1,0,0]=3 7381 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,0,0,0,0,2|1,0,0]=3 7382 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,0,0,0,0,2|1,0,0]=3 7383 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,0,0,0,0,2|1,0,0]=3 7384 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,0,0,0,0,2|1,0,0]=3 7385 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,0,0,0,0,2|2,0,0]=4 7386 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,0,0,0,0,2|2,0,0]=4 7387 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,0,0,0,0,2|2,0,0]=4 7388 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,0,0,0,0,2|2,0,0]=4 7389 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,0,0,0,0,2|2,0,0]=4 7390 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,0,0,0,0,2|1,0,0]=3 7391 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,0,0,0,0,2|1,0,0]=3 7392 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,0,0,0,0,2|1,0,0]=3 7393 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,0,0,0,0,2|1,0,0]=3 7394 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,0,0,0,0,2|2,0,0]=4 7395 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,0,0,0,0,2|2,0,0]=4 7396 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,0,0,0,0,2|2,0,0]=4 7397 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,0,0,0,0,2|1,0,0]=3 7398 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,0,0,0,0,2|1,0,0]=3 7399 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,0,0,0,0,2|2,0,0]=4 7400 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,0,0,0,0,2|2,0,0]=4 7401 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,0,0,0,0,2|2,0,0]=4 7402 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,0,0,0,0,2|2,0,0]=4 7403 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,0,0,0,0,2|1,0,1]=4 7404 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,0,0,0,0,2|1,0,1]=4 7405 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,0,0,0,0,2|1,0,1]=4 7406 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,0,0,0,0,2|1,0,1]=4 7407 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,0,0,0,0,2|1,0,1]=4 7408 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,0,0,0,0,2|1,0,1]=4 7409 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,0,0,0,0,2|1,0,0]=3 7410 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,0,0,0,0,2|1,0,0]=3 7411 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,0,0,0,0,2|1,0,0]=3 7412 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,0,0,0,0,2|1,0,0]=3 7413 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,0,0,0,0,2|1,0,0]=3 7414 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,0,0,0,0,2|1,0,0]=3 7415 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,0,0,0,0,2|2,0,0]=4 7416 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,0,0,0,0,2|2,0,0]=4 7417 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,0,0,0,0,2|2,0,0]=4 7418 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,0,0,0,0,2|2,0,0]=4 7419 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,0,0,0,0,2|2,0,0]=4 7420 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,0,0,0,0,2|2,0,0]=4 7421 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,0,0,0,0,2|2,0,0]=4 7422 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,0,0,0,0,2|2,0,0]=4 7423 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,0,0,0,0,2|1,0,0]=3 7424 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,0,0,0,0,2|1,0,0]=3 7425 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,0,0,0,0,2|1,0,0]=3 7426 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,0,0,0,0,2|2,0,0]=4 7427 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,0,0,0,0,2|2,0,0]=4 7428 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,0,0,0,0,2|1,0,0]=3 7429 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,0,0,0,0,2|1,0,0]=3 7430 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,0,0,0,0,2|0,0,1]=3 7431 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,2|1,0,1]=4 7432 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,2|1,0,1]=4 7433 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,2|1,0,1]=4 7434 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,0,0,0,0,2|1,0,0]=3 7435 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,0,0,0,0,2|1,0,0]=3 7436 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,2|1,0,1]=4 7437 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,0,0,0,0,2|0,0,0]=2 7438 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,0,0,0,0,2|0,0,0]=2 7439 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,0,0,0,0,2|0,0,0]=2 7440 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,0,0,0,0,2|0,0,0]=2 7441 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,0,0,0,0,2|0,0,0]=2 7442 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,0,0,0,0,2|0,0,0]=2 7443 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,0,0,0,0,2|0,0,0]=2 7444 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,0,0,0,0,2|1,0,0]=3 7445 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,0,0,0,0,2|1,0,0]=3 7446 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,0,0,0,0,2|2,0,0]=4 7447 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,0,0,0,0,2|1,0,1]=4 7448 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,0,0,0,0,2|1,0,0]=3 7449 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,0,0,0,0,2|0,0,0]=2 7450 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,0,0,0,0,2|1,0,0]=3 7451 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,0,0,0,0,2|2,0,0]=4 7452 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,0,0,0,0,2|1,0,0]=3 7453 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,0,0,0,0,2|1,0,0]=3 7454 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,0,0,0,0,2|0,0,0]=2 7455 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,0,0,0,0,2|0,0,0]=2 7456 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,0,0,0,0,2|1,0,0]=3 7457 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,0,0,0,0,2|1,0,0]=3 7458 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,0,0,0,0,2|2,0,0]=4 7459 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,0,0,0,0,2|2,0,0]=4 7460 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,0,0,0,0,2|1,0,0]=3 7461 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,0,0,0,0,2|1,0,0]=3 7462 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,2|1,0,1]=4 7463 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,0,0,0,0,2|1,0,0]=3 7464 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,0,0,0,0,2|0,0,0]=2 7465 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,0,0,0,0,2|1,0,1]=4 7466 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,0,0,0,0,2|1,0,1]=4 7467 B10R0.3 CNNC(=O)C/C=C/C(C)C 22a_100016993582_100016292215 [0,0,0,0,0,2|2,0,0]=4 7468 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,0,0,0,0,2|2,0,0]=4 7469 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,0,0,0,0,2|2,0,0]=4 7470 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,0,0,0,0,2|2,0,0]=4 7471 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,0,0,0,0,2|2,0,0]=4 7472 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,0,0,0,0,2|2,0,0]=4 7473 B10R0.3 CNNC(=O)NNCC(C)C 512a_100000696102_100016993582 [0,0,0,0,0,2|2,0,0]=4 7474 B10R0.3 CNNC(=O)NNCC(C)C 512a_100016993582_100000696102 [0,0,0,0,0,2|2,0,0]=4 7475 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,0,0,0,0,2|2,0,0]=4 7476 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,0,0,0,0,2|2,0,0]=4 7477 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,0,0,0,0,2|2,0,0]=4 7478 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,0,0,0,0,2|2,0,0]=4 7479 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,0,0,0,0,2|2,0,0]=4 7480 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,0,0,0,0,2|2,0,0]=4 7481 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,0,0,0,0,2|2,0,0]=4 7482 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,0,0,0,0,2|2,0,0]=4 7483 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,0,0,0,0,2|2,0,0]=4 7484 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,0,0,0,0,2|2,0,0]=4 7485 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,0,0,0,0,2|2,0,0]=4 7486 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,0,0,0,0,2|2,0,0]=4 7487 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,0,0,0,0,2|2,0,0]=4 7488 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,0,0,0,0,2|2,0,0]=4 7489 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,0,0,0,0,2|2,0,0]=4 7490 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [0,0,0,0,0,2|2,0,0]=4