0 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 C#CCNC(=O)C(=C)C 11a_100000212058_100000185857 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.8 C#CCNC(=O)C(=C)C 1626a_100000212058_100000185857 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.8 C#CCNC(=O)C(F)F 11a_100000212058_100000210393 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 C#CCNC(=O)C(F)F 1626a_100000212058_100000210393 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.8 C#CCNC(=O)C(F)F 240690a_100000212058_100000210393 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.8 C#CCNC(=O)C(F)F 527a_100000212058_100000210393 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.8 C#CCNC(=O)C(O)O 240690a_100000212058_100000233687 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.8 C#CCNC(=O)N(C)C 2708a_100000212058_100102631434 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,0,0,0,0,0|1,0,1]=2 23 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,0,0,0,0,0|1,0,1]=2 24 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,0,0,0,0,0|1,0,1]=2 25 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.8 C=C(C)C(=O)NCC#N 1626a_100000734998_100000185857 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,0,0,0,0,0|2,0,1]=3 58 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,0,0,0,0,0|2,0,1]=3 61 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,0,0,0,0,0|2,0,1]=3 62 B8R0.8 C=CCNC(=O)C(F)F 1626a_100020586998_100000210393 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.8 C=CCNC(=O)C(F)F 240690a_100020586998_100000210393 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.8 C=CCNC(=O)C(F)F 527a_100020586998_100000210393 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.8 C=CCNC(=O)C(O)O 240690a_100020586998_100000233687 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,0,0,0,0,0|1,0,1]=2 67 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,0,0,0,0,0|1,0,1]=2 68 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,0,0,0,0,0|1,0,1]=2 69 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,0,0,0,0|1,0,3]=4 72 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,0,0,0,0,0|2,0,1]=3 73 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,0,0,0,0,0|2,0,0]=2 77 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,0,0,0,0,0|2,0,1]=3 80 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,0,0,0,0,0|2,0,1]=3 81 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 82 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 83 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 84 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,0,0,0,0,0|1,0,0]=1 86 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,0,0,0,0,0|1,0,0]=1 87 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,0,0,0,0,0|2,0,1]=3 91 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [0,0,0,0,0,0|4,0,0]=4 94 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [0,0,0,0,0,0|4,0,0]=4 96 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [0,0,0,0,0,0|4,0,0]=4 97 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,0,0,0,0,0|3,0,0]=3 101 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,0,0,0,0,0|2,0,0]=2 102 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,0,0,0,0,0|2,0,1]=3 103 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,0,0,0,0,0|2,0,1]=3 104 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,0,0,0,0,0|2,0,0]=2 105 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,0,0,0,0,0|2,0,0]=2 106 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,0,0,0,0,0|2,0,0]=2 107 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,0,0,0,0,0|2,0,0]=2 108 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,0,0,0,0,0|1,0,0]=1 109 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,0,0,0,0,0|1,0,0]=1 110 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 120 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 121 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 122 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 123 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,0,0,0,0|2,0,0]=2 124 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,0,0,0,0|2,0,0]=2 125 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,0,0,0,0,0|1,0,2]=3 126 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,0,0,0,0,0|2,0,2]=4 127 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,0,0,0,0,0|1,0,2]=3 128 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,0,0,0,0,0|2,0,0]=2 129 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,0,0,0,0,0|2,0,0]=2 130 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,0,0,0,0,0|2,0,0]=2 131 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,0,0,0,0,0|2,0,0]=2 132 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 133 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 134 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 135 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 136 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 137 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 138 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 139 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 140 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,0,0,0,0,0|2,0,0]=2 141 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,0,0,0,0,0|3,0,0]=3 142 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,0,0,0,0,0|1,0,0]=1 143 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,0,0,0,0,0|1,0,0]=1 144 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,0,0,0,0,0|1,0,0]=1 145 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,0,0,0,0,0|4,0,0]=4 147 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,0,0,0,0,0|3,0,0]=3 149 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,0,0,0,0,0|3,0,0]=3 150 B8R0.8 CCNNC(=O)C(F)F 22a_100000756455_100000210393 [0,0,0,0,0,0|4,0,0]=4 151 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,0,0,0,0,0|3,0,0]=3 152 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,0,0,0,0,0|2,0,0]=2 153 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,0,0,0,0,0|2,0,0]=2 154 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,0,0,0,0,0|4,0,0]=4 155 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,0,0,0,0,0|4,0,0]=4 156 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,0,0,0,0,0|4,0,0]=4 157 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,0,0,0,0,0|4,0,0]=4 158 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,0,0,0,0,0|4,0,0]=4 159 B8R0.8 CN(C)C(=O)NCC#N 2708a_100000734998_100102631434 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,0,0,0,0,0|4,0,0]=4 161 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,0,0,0,0,0|4,0,0]=4 162 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,0,0,0,0,0|4,0,0]=4 163 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,0,0,0,0,0|4,0,0]=4 164 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,0,0,0,0,0|3,0,0]=3 165 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,0,0,0,0,0|3,0,0]=3 166 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,0,0,0,0,0|4,0,0]=4 167 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,0,0,0,0,0|4,0,0]=4 169 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,0,0,0,0,0|4,0,0]=4 170 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,0,0,0,0,0|3,0,0]=3 171 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,0,0,0,0,0|3,0,0]=3 172 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,0,0,0,0,0|4,0,0]=4 173 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,0,0,0,0,0|4,0,0]=4 174 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,0,0,0,0,0|2,0,0]=2 176 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,0,0,0,0,0|1,0,0]=1 177 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,0,0,0,0,0|1,0,0]=1 178 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,0,0,0,0,0|0,0,0]=0 179 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,0,0,0,0,0|2,0,1]=3 181 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,0,0,0,0,0|2,0,0]=2 182 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,0,0,0,0,0|1,0,0]=1 183 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,0,0,0,0,0|1,0,1]=2 184 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,0,0,0,0,0|1,0,0]=1 185 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,0,0,0,0,0|1,0,0]=1 186 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,0,0,0,0,0|0,0,0]=0 187 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,0,0,0,0,0|3,0,1]=4 188 B8R0.8 N#CCNC(=O)C(F)F 1626a_100000734998_100000210393 [0,0,0,0,0,0|3,0,1]=4 189 B8R0.8 N#CCNC(=O)C(F)F 527a_100000734998_100000210393 [0,0,0,0,0,0|3,0,1]=4 190 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,0,0,0,0,0|2,0,2]=4 191 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,0,0,0,0,0|1,0,2]=3 192 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,0,0,0,0,0|3,0,0]=3 193 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,0,0,0,0,0|2,0,0]=2 194 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,0,0,0,0,0|3,0,0]=3 195 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,0,0,0,0,0|3,0,0]=3 196 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,0,0,0,0,0|3,0,0]=3 197 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,0,0,0,0,0|2,0,0]=2 199 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,0,0,0,0,0|2,0,0]=2 200 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,0,0,0,0,0|2,0,0]=2 201 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,0,0,0,0,0|1,0,0]=1 202 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,0,2]=4 203 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|2,0,1]=4 204 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,0,0,0,0|1,0,1]=3 207 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,0,0,0,0|1,0,1]=3 208 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,0,0,0,0|1,0,1]=3 209 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,0,0,0,0|1,0,1]=3 210 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [1,0,0,0,0,0|1,0,1]=3 211 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [1,0,0,0,0,0|1,0,1]=3 212 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [1,0,0,0,0,0|2,0,1]=4 213 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [1,0,0,0,0,0|2,0,1]=4 214 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [1,0,0,0,0,0|2,0,1]=4 215 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [1,0,0,0,0,0|2,0,1]=4 216 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [1,0,0,0,0,0|2,0,1]=4 217 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,2]=4 219 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,2]=4 220 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,2]=4 221 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,0,0,0,0,0|1,0,2]=4 222 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,0,0,0,0,0|1,0,2]=4 223 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,0,0,0,0,0|0,0,2]=3 224 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|2,0,1]=4 227 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|1,0,1]=3 228 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|1,0,1]=3 229 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|1,0,1]=3 230 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,0,0,0,0,0|1,0,1]=3 231 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,0,0,0,0,0|1,0,1]=3 232 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,0,0,0,0,0|2,0,1]=4 234 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,0,0,0,0,0|2,0,1]=4 235 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,0,0,0,0,0|2,0,1]=4 236 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,0,0,0,0,0|1,0,1]=3 239 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,0,0,0,0,0|1,0,1]=3 240 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,0,0,0,0,0|2,0,1]=4 241 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|2,0,1]=4 242 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|2,0,1]=4 243 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,0,0,0,0,0|1,0,1]=3 244 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|2,0,1]=4 245 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,0]=2 248 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|3,0,0]=4 250 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|3,0,0]=4 255 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,0,0,0,0|1,0,1]=3 256 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,0,0,0,0|1,0,1]=3 257 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|1,0,0]=2 258 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|1,0,0]=2 259 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|1,0,0]=2 260 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|1,0,0]=2 261 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|0,0,0]=1 262 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|0,0,0]=1 263 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,0,0,0,0,0|2,0,1]=4 265 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,0,0,0,0,0|1,0,1]=3 266 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,0,0,0,0,0|1,0,1]=3 267 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,0,0,0,0,0|1,0,1]=3 268 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|2,0,0]=3 273 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|2,0,0]=3 274 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|3,0,0]=4 275 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,0]=3 276 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 279 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 280 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 281 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 282 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 283 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 284 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|1,0,0]=2 285 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|1,0,0]=2 286 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 287 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 288 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 289 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 290 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 291 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 292 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|2,0,1]=4 293 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,0,0,0,0|2,0,1]=4 294 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,0,0,0,0,0|3,0,0]=4 295 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 301 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 302 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 303 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|3,0,0]=4 305 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|3,0,0]=4 308 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [1,0,0,0,0,0|2,0,1]=4 312 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|2,0,0]=3 314 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|2,0,0]=3 316 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|2,0,0]=3 317 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|1,0,0]=2 318 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|1,0,0]=2 319 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|1,0,0]=2 320 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|1,0,0]=2 321 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|3,0,0]=4 322 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|3,0,0]=4 323 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,0,0,0,0,0|2,0,1]=4 324 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,0,0,0,0,0|1,0,1]=3 325 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,0,0,0,0,0|2,0,1]=4 326 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,0,0,0,0,0|2,0,1]=4 327 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [1,0,0,0,0,0|1,0,1]=3 329 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [1,0,0,0,0,0|2,0,1]=4 330 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,0]=3 331 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|1,0,0]=2 332 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,0,0,0,0,0|1,0,0]=2 333 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,0,0,0,0,0|1,0,0]=2 334 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,0,0,0,0|0,0,0]=1 335 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,0,0,0,0|0,0,0]=1 336 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [1,0,0,0,0,0|1,0,2]=4 338 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [1,0,0,0,0,0|1,0,2]=4 339 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [1,0,0,0,0,0|1,0,2]=4 340 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|1,0,2]=4 342 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|1,0,2]=4 343 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|1,0,2]=4 344 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|1,0,2]=4 345 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|1,0,2]=4 346 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|1,0,2]=4 347 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,0,0,0,0,0|2,0,1]=4 348 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,0,0,0,0|2,0,1]=4 349 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,0,0,0,0|2,0,1]=4 350 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,0,0,0,0|2,0,1]=4 351 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,0,0,0,0|1,0,1]=3 352 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,0,0,0,0|1,0,1]=3 353 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,0,0,0,0|1,0,1]=3 354 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,0,0,0,0|1,0,1]=3 355 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,0,0,0,0|1,0,1]=3 356 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,0,0,0,0|3,0,0]=4 361 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|3,0,0]=4 362 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,0,0,0,0,0|2,0,1]=4 365 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [1,0,0,0,0,0|1,0,2]=4 366 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,0,0,0,0|0,0,3]=4 367 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|0,0,3]=4 368 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,0,0,0,0|1,0,1]=3 369 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,0,0,0,0|1,0,1]=3 370 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,0,0,0,0|1,0,1]=3 371 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|0,0,1]=2 372 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|0,0,1]=2 373 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|0,0,1]=2 374 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|0,0,1]=2 375 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,0,0,0,0|1,0,1]=3 380 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,0,0,0,0|1,0,1]=3 381 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,1]=3 385 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,1]=3 386 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 389 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|2,0,1]=4 395 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,0,0,0,0|1,0,1]=3 398 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|0,0,1]=2 399 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|0,0,1]=2 400 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,0,0,0,0|1,0,1]=3 405 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,0,0,0,0|1,0,1]=3 406 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|1,0,2]=4 407 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [1,0,0,0,0,0|2,0,1]=4 413 B7R0.5 C#CCC(=O)C(O)O 1458a_100000233687_100000184674 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [1,0,0,0,0,0|1,0,1]=3 415 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [1,0,0,0,0,0|1,0,1]=3 416 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,0,0,0,0,0|1,0,2]=4 417 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,0,0,0,0|2,0,1]=4 419 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,0,0,0,0|1,0,1]=3 420 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|1,0,1]=3 421 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,0,0,0,0,0|1,0,2]=4 423 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,0,0,0,0,0|1,0,2]=4 424 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,0,0,0,0,0|1,0,1]=3 429 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,0,0,0,0,0|1,0,1]=3 430 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,0,0,0,0,0|2,0,1]=4 431 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,0,0,0,0,0|2,0,1]=4 432 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,0,0,0,0,0|2,0,1]=4 433 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,0,0,0,0,0|1,0,0]=2 435 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,0,0,0,0,0|1,0,0]=2 436 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,0,0,0,0,0|3,0,0]=4 437 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,0,0,0,0,0|3,0,0]=4 438 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 440 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [1,0,0,0,0,0|3,0,0]=4 441 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [1,0,0,0,0,0|3,0,0]=4 443 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,0,0,0,0,0|2,0,0]=3 447 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,0,0,0,0,0|1,0,0]=2 448 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 454 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 455 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 456 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 457 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|1,0,0]=2 458 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|1,0,0]=2 459 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|0,0,2]=3 460 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,0,0,0,0|1,0,2]=4 461 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|0,0,2]=3 462 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 463 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 464 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 465 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,0,0,0,0,0|1,0,0]=2 466 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,0,0,0,0,0|1,0,0]=2 467 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,0,0,0,0,0|1,0,0]=2 468 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,0,0,0,0,0|2,0,0]=3 469 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,0,0,0,0,0|2,0,0]=3 470 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,0,0,0,0,0|1,0,0]=2 472 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,0,0,0,0,0|2,0,0]=3 473 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|0,0,0]=1 474 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|0,0,0]=1 475 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,0,0,0,0,0|2,0,1]=4 476 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,0,0,0,0,0|2,0,0]=3 477 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,0,0,0,0,0|3,0,0]=4 478 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,0,0,0,0,0|3,0,0]=4 479 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,0,0,0,0,0|3,0,0]=4 480 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,0,0,0,0,0|2,0,0]=3 481 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,0,0,0,0,0|2,0,0]=3 482 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [1,0,0,0,0,0|3,0,0]=4 483 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [1,0,0,0,0,0|2,0,0]=3 484 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,0,0,0,0,0|1,0,0]=2 485 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,0,0,0,0,0|1,0,0]=2 486 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,0,0,0,0,0|3,0,0]=4 487 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,0,0,0,0,0|3,0,0]=4 488 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,0,0,0,0,0|3,0,0]=4 489 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,0,0,0,0,0|3,0,0]=4 490 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,0,0,0,0,0|3,0,0]=4 491 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [1,0,0,0,0,0|1,0,1]=3 492 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|1,0,0]=2 493 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|0,0,0]=1 494 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [1,0,0,0,0,0|1,0,1]=3 495 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|1,0,0]=2 496 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|0,0,0]=1 497 B7R0.5 N#CCC(=O)C(O)O 1458a_100000233687_100011214920 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,0,0,0,0,0|2,0,0]=3 499 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,0,0,0,0,0|1,0,0]=2 500 B9R0.3 C#CCCC(=O)C(C)(C)O 1458a_100000242741_100000753159 [0,1,0,0,0,0|2,0,1]=4 501 B9R0.3 C#CCNC(=O)C(C)(C)C 11a_100000212058_106744555173 [0,1,0,0,0,0|2,0,1]=4 502 B9R0.3 C#CCNC(=O)C(C)(C)C 1626a_100000212058_106744555173 [0,1,0,0,0,0|2,0,1]=4 503 B9R0.3 C#CCNC(=O)C(C)(C)C 240690a_100000212058_106744555173 [0,1,0,0,0,0|2,0,1]=4 504 B9R0.3 C#CCNC(=O)C(C)(C)C 527a_100000212058_106744555173 [0,1,0,0,0,0|2,0,1]=4 505 B9R0.3 C#CCNC(=O)C(C)(C)F 11a_100000212058_100000765255 [0,1,0,0,0,0|2,0,1]=4 506 B9R0.3 C#CCNC(=O)C(C)(C)F 1626a_100000212058_100000765255 [0,1,0,0,0,0|2,0,1]=4 507 B9R0.3 C#CCNC(=O)C(C)(C)F 240690a_100000212058_100000765255 [0,1,0,0,0,0|2,0,1]=4 508 B9R0.3 C#CCNC(=O)C(C)(C)F 527a_100000212058_100000765255 [0,1,0,0,0,0|2,0,1]=4 509 B9R0.3 C#CCNC(=O)C(C)(C)O 240690a_100000212058_100000242741 [0,1,0,0,0,0|1,0,1]=3 510 B9R0.3 C#CCNC(=O)C(C)(F)F 11a_100000212058_100000042251 [0,1,0,0,0,0|2,0,1]=4 511 B9R0.3 C#CCNC(=O)C(C)(F)F 1626a_100000212058_100000042251 [0,1,0,0,0,0|2,0,1]=4 512 B9R0.3 C#CCNC(=O)C(C)(F)F 240690a_100000212058_100000042251 [0,1,0,0,0,0|2,0,1]=4 513 B9R0.3 C#CCNC(=O)C(C)(F)F 527a_100000212058_100000042251 [0,1,0,0,0,0|2,0,1]=4 514 B9R0.3 C=CCCC(=O)C(C)(C)O 1458a_100000242741_100000754431 [0,1,0,0,0,0|2,0,1]=4 515 B9R0.3 C=CCNC(=O)C(C)(C)C 1626a_100020586998_106744555173 [0,1,0,0,0,0|2,0,1]=4 516 B9R0.3 C=CCNC(=O)C(C)(C)C 240690a_100020586998_106744555173 [0,1,0,0,0,0|2,0,1]=4 517 B9R0.3 C=CCNC(=O)C(C)(C)C 527a_100020586998_106744555173 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.3 C=CCNC(=O)C(C)(C)F 1626a_100020586998_100000765255 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.3 C=CCNC(=O)C(C)(C)F 240690a_100020586998_100000765255 [0,1,0,0,0,0|2,0,1]=4 520 B9R0.3 C=CCNC(=O)C(C)(C)F 527a_100020586998_100000765255 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.3 C=CCNC(=O)C(C)(C)O 240690a_100020586998_100000242741 [0,1,0,0,0,0|1,0,1]=3 522 B9R0.3 C=CCNC(=O)C(C)(F)F 1626a_100020586998_100000042251 [0,1,0,0,0,0|2,0,1]=4 523 B9R0.3 C=CCNC(=O)C(C)(F)F 240690a_100020586998_100000042251 [0,1,0,0,0,0|2,0,1]=4 524 B9R0.3 C=CCNC(=O)C(C)(F)F 527a_100020586998_100000042251 [0,1,0,0,0,0|2,0,1]=4 525 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [0,1,0,0,0,0|3,0,0]=4 526 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,1,0,0,0,0|2,0,0]=3 527 B9R0.3 CC(C)(C)C(=O)NCC#N 1626a_100000734998_106744555173 [0,1,0,0,0,0|2,0,1]=4 528 B9R0.3 CC(C)(C)C(=O)NCC#N 527a_100000734998_106744555173 [0,1,0,0,0,0|2,0,1]=4 529 B9R0.3 CC(C)(C)C(=O)NCCF 11a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 530 B9R0.3 CC(C)(C)C(=O)NCCF 1626a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 531 B9R0.3 CC(C)(C)C(=O)NCCF 240690a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 532 B9R0.3 CC(C)(C)C(=O)NCCF 527a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 533 B9R0.3 CC(C)(C)C(=O)NCCO 240690a_100000210304_106744555173 [0,1,0,0,0,0|1,0,0]=2 534 B9R0.3 CC(C)(C)C(=O)NCCO 527a_100000210304_106744555173 [0,1,0,0,0,0|1,0,0]=2 535 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [0,1,0,0,0,0|3,0,0]=4 536 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,1,0,0,0,0|2,0,0]=3 537 B9R0.3 CC(C)(F)C(=O)NCC#N 1626a_100000734998_100000765255 [0,1,0,0,0,0|2,0,1]=4 538 B9R0.3 CC(C)(F)C(=O)NCC#N 527a_100000734998_100000765255 [0,1,0,0,0,0|2,0,1]=4 539 B9R0.3 CC(C)(F)C(=O)NCCF 11a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 540 B9R0.3 CC(C)(F)C(=O)NCCF 1626a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 541 B9R0.3 CC(C)(F)C(=O)NCCF 240690a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 542 B9R0.3 CC(C)(F)C(=O)NCCF 527a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 543 B9R0.3 CC(C)(F)C(=O)NCCO 240690a_100000210304_100000765255 [0,1,0,0,0,0|1,0,0]=2 544 B9R0.3 CC(C)(F)C(=O)NCCO 527a_100000210304_100000765255 [0,1,0,0,0,0|1,0,0]=2 545 B9R0.3 CC(C)(O)C(=O)CCC#N 1458a_100000242741_100011215226 [0,1,0,0,0,0|2,0,1]=4 546 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,1,0,0,0,0|2,0,0]=3 547 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,1,0,0,0,0|1,0,0]=2 548 B9R0.3 CC(C)(O)C(=O)NCCF 240690a_100000724931_100000242741 [0,1,0,0,0,0|1,0,0]=2 549 B9R0.3 CC(C)(O)C(=O)NCCO 240690a_100000210304_100000242741 [0,1,0,0,0,0|0,0,0]=1 550 B9R0.3 CC(F)(F)C(=O)NCC#N 1626a_100000734998_100000042251 [0,1,0,0,0,0|2,0,1]=4 551 B9R0.3 CC(F)(F)C(=O)NCC#N 527a_100000734998_100000042251 [0,1,0,0,0,0|2,0,1]=4 552 B9R0.3 CC(F)(F)C(=O)NCCF 11a_100000724931_100000042251 [0,1,0,0,0,0|2,0,0]=3 553 B9R0.3 CC(F)(F)C(=O)NCCF 1626a_100000724931_100000042251 [0,1,0,0,0,0|2,0,0]=3 554 B9R0.3 CC(F)(F)C(=O)NCCF 240690a_100000724931_100000042251 [0,1,0,0,0,0|2,0,0]=3 555 B9R0.3 CC(F)(F)C(=O)NCCF 527a_100000724931_100000042251 [0,1,0,0,0,0|2,0,0]=3 556 B9R0.3 CC(F)(F)C(=O)NCCO 240690a_100000210304_100000042251 [0,1,0,0,0,0|1,0,0]=2 557 B9R0.3 CC(F)(F)C(=O)NCCO 527a_100000210304_100000042251 [0,1,0,0,0,0|1,0,0]=2 558 B9R0.3 CC(NCCF)C(C)(C)O 269862a_100000724931_100000747739 [0,1,0,0,0,0|2,0,1]=4 559 B9R0.3 CC(NCCO)C(C)(C)O 269862a_100000210304_100000747739 [0,1,0,0,0,0|1,0,1]=3 560 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,1,0,0,0,0|3,0,0]=4 561 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,1,0,0,0,0|3,0,0]=4 562 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,1,0,0,0,0|2,0,0]=3 563 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [0,1,0,0,0,0|2,0,0]=3 564 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [0,1,0,0,0,0|2,0,0]=3 565 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [0,1,0,0,0,0|2,0,0]=3 566 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [0,1,0,0,0,0|2,0,0]=3 567 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [0,1,0,0,0,0|2,0,0]=3 568 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [0,1,0,0,0,0|2,0,0]=3 569 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [0,1,0,0,0,0|2,0,0]=3 570 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [0,1,0,0,0,0|2,0,0]=3 571 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [0,1,0,0,0,0|1,0,0]=2 572 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 573 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 574 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 575 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 576 B9R0.3 CCCNC(=O)C(F)(F)F 11a_100020643023_100015355933 [0,1,0,0,0,0|3,0,0]=4 577 B9R0.3 CCCNC(=O)C(F)(F)F 1626a_100020643023_100015355933 [0,1,0,0,0,0|3,0,0]=4 578 B9R0.3 CCCNC(=O)C(F)(F)F 240690a_100020643023_100015355933 [0,1,0,0,0,0|3,0,0]=4 579 B9R0.3 CCCNC(=O)C(F)(F)F 527a_100020643023_100000210220 [0,1,0,0,0,0|3,0,0]=4 580 B9R0.3 CCCNC(C)C(C)(C)O 269862a_100020643023_100000747739 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.3 CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210303 [0,1,0,0,0,0|2,0,1]=4 582 B9R0.3 CCNNC(=O)C(C)(C)C 22a_100000756455_106744555173 [0,1,0,0,0,0|3,0,0]=4 583 B9R0.3 CCNNC(=O)C(C)(C)F 22a_100000756455_100000765255 [0,1,0,0,0,0|3,0,0]=4 584 B9R0.3 CCNNC(=O)C(C)(C)O 22a_100000756455_100000242741 [0,1,0,0,0,0|2,0,0]=3 585 B9R0.3 CCNNC(=O)C(C)(F)F 22a_100000756455_100000042251 [0,1,0,0,0,0|3,0,0]=4 586 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,1,0,0,0,0|3,0,0]=4 587 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,1,0,0,0,0|3,0,0]=4 588 B9R0.3 C[C@@H](NCCO)C(C)(C)C 2230a_100025703359_100000211926 [0,1,0,0,0,0|2,0,1]=4 589 B9R0.3 C[C@H](NCCF)C(C)(C)O 2230a_100025708725_100011217306 [0,1,0,0,0,0|2,0,1]=4 590 B9R0.3 C[C@H](NCCO)C(C)(C)O 2230a_100025708725_100000211926 [0,1,0,0,0,0|1,0,1]=3 591 B9R0.3 O=C(CCCO)C(F)(F)F 1458a_100015355933_100011215043 [0,1,0,0,0,0|3,0,0]=4 592 B9R0.3 O=C(NCCF)C(F)(F)F 11a_100000724931_100015355933 [0,1,0,0,0,0|3,0,0]=4 593 B9R0.3 O=C(NCCF)C(F)(F)F 1626a_100000724931_100015355933 [0,1,0,0,0,0|3,0,0]=4 594 B9R0.3 O=C(NCCF)C(F)(F)F 240690a_100000724931_100015355933 [0,1,0,0,0,0|3,0,0]=4 595 B9R0.3 O=C(NCCF)C(F)(F)F 527a_100000724931_100000210220 [0,1,0,0,0,0|3,0,0]=4 596 B9R0.3 O=C(NCCO)C(F)(F)F 240690a_100000210304_100015355933 [0,1,0,0,0,0|2,0,0]=3 597 B9R0.3 O=C(NCCO)C(F)(F)F 527a_100000210304_100000210220 [0,1,0,0,0,0|2,0,0]=3 598 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 11a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 599 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 1626a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 600 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 240690a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 601 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 527a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 602 B9R0.3 [2H]C([2H])([2H])C(=O)NCCF 11a_100000724931_200015216371 [0,1,0,0,0,0|3,0,0]=4 603 B9R0.3 [2H]C([2H])([2H])C(=O)NCCF 1626a_100000724931_200015216371 [0,1,0,0,0,0|3,0,0]=4 604 B9R0.3 [2H]C([2H])([2H])C(=O)NCCF 240690a_100000724931_200015216371 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.3 [2H]C([2H])([2H])C(=O)NCCF 527a_100000724931_200015216371 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.3 [2H]C([2H])([2H])C(=O)NCCO 240690a_100000210304_200015216371 [0,1,0,0,0,0|2,0,0]=3 607 B9R0.3 [2H]C([2H])([2H])C(=O)NCCO 527a_100000210304_200015216371 [0,1,0,0,0,0|2,0,0]=3 608 B9R0.6 C#CCN(C)C(=O)C(C)C 11a_100000225692_100000210198 [0,1,0,0,0,0|2,0,1]=4 609 B9R0.6 C#CCN(C)C(=O)C(C)C 1626a_100000225692_100000210198 [0,1,0,0,0,0|2,0,1]=4 610 B9R0.6 C#CCN(C)C(=O)C(C)C 527a_100000225692_100000210198 [0,1,0,0,0,0|2,0,1]=4 611 B9R0.6 C#CCN(C)C(=O)C(C)F 11a_100000225692_100000062450 [0,1,0,0,0,0|2,0,1]=4 612 B9R0.6 C#CCN(C)C(=O)C(C)F 1626a_100000225692_100000062450 [0,1,0,0,0,0|2,0,1]=4 613 B9R0.6 C#CCN(C)C(=O)C(C)F 527a_100000225692_100000062450 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.6 C#CCN(C)C(=O)[C@H](C)O 1626a_100000225692_217856618621 [0,1,0,0,0,0|1,0,1]=3 615 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,1,0,0,0,0|2,0,1]=4 616 B9R0.6 C=C(C)C(=O)N(C)CCC 11a_100000747261_100000185857 [0,1,0,0,0,0|2,0,1]=4 617 B9R0.6 C=C(C)C(=O)N(C)CCC 1626a_100000747261_100000185857 [0,1,0,0,0,0|2,0,1]=4 618 B9R0.6 C=CCN(C)C(=O)C(C)C 11a_100000225617_100000210198 [0,1,0,0,0,0|2,0,1]=4 619 B9R0.6 C=CCN(C)C(=O)C(C)C 1626a_100000225617_100000210198 [0,1,0,0,0,0|2,0,1]=4 620 B9R0.6 C=CCN(C)C(=O)C(C)C 240690a_100000225617_100000210198 [0,1,0,0,0,0|2,0,1]=4 621 B9R0.6 C=CCN(C)C(=O)C(C)C 527a_100000225617_100000210198 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.6 C=CCN(C)C(=O)C(C)F 11a_100000225617_100000062450 [0,1,0,0,0,0|2,0,1]=4 623 B9R0.6 C=CCN(C)C(=O)C(C)F 1626a_100000225617_100000062450 [0,1,0,0,0,0|2,0,1]=4 624 B9R0.6 C=CCN(C)C(=O)C(C)F 240690a_100000225617_100000062450 [0,1,0,0,0,0|2,0,1]=4 625 B9R0.6 C=CCN(C)C(=O)C(C)F 527a_100000225617_100000062450 [0,1,0,0,0,0|2,0,1]=4 626 B9R0.6 C=CCN(C)C(=O)C(O)O 240690a_100000225617_100000233687 [0,1,0,0,0,0|2,0,1]=4 627 B9R0.6 C=CCN(C)C(=O)[C@@H](C)O 240690a_100000225617_100000717761 [0,1,0,0,0,0|1,0,1]=3 628 B9R0.6 C=CCN(C)C(=O)[C@H](C)O 1626a_100000225617_217856618621 [0,1,0,0,0,0|1,0,1]=3 629 B9R0.6 C=CCN(C)C(=O)[C@H](C)O 240690a_100000225617_217856618621 [0,1,0,0,0,0|1,0,1]=3 630 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,1,0,0,0,0|2,0,0]=3 631 B9R0.6 CC(C)C(=O)N(C)CC#N 11a_100000748184_100000210198 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.6 CC(C)C(=O)N(C)CC#N 1626a_100000748184_100000210198 [0,1,0,0,0,0|2,0,1]=4 633 B9R0.6 CC(C)C(=O)N(C)CCO 240690a_100000210263_100000210198 [0,1,0,0,0,0|1,0,0]=2 634 B9R0.6 CC(C)C(=O)N(C)CCO 527a_100000210263_100000210198 [0,1,0,0,0,0|1,0,0]=2 635 B9R0.6 CC(C)C(C)N(C)CCO 2230a_100000228512_100000211926 [0,1,0,0,0,0|2,0,1]=4 636 B9R0.6 CC(C)C(C)N(C)CCO 269982a_100000228512_100000211926 [0,1,0,0,0,0|2,0,1]=4 637 B9R0.6 CC(CC#N)C(=O)[C@@H](C)O 1458a_100000717761_100009813641 [0,1,0,0,0,0|2,0,1]=4 638 B9R0.6 CC(CC#N)C(=O)[C@H](C)O 1458a_217856618621_100009813641 [0,1,0,0,0,0|2,0,1]=4 639 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [0,1,0,0,0,0|2,0,0]=3 640 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,1,0,0,0,0|1,0,0]=2 641 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,1,0,0,0,0|1,0,0]=2 642 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,1,0,0,0,0|2,0,0]=3 643 B9R0.6 CC(F)C(=O)N(C)CC#N 11a_100000748184_100000062450 [0,1,0,0,0,0|2,0,1]=4 644 B9R0.6 CC(F)C(=O)N(C)CC#N 1626a_100000748184_100000062450 [0,1,0,0,0,0|2,0,1]=4 645 B9R0.6 CC(F)C(=O)N(C)CCO 240690a_100000210263_100000062450 [0,1,0,0,0,0|1,0,0]=2 646 B9R0.6 CC(F)C(=O)N(C)CCO 527a_100000210263_100000062450 [0,1,0,0,0,0|1,0,0]=2 647 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,1,0,0,0,0|3,0,0]=4 648 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,1,0,0,0,0|3,0,0]=4 649 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,1,0,0,0,0|3,0,0]=4 650 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,1,0,0,0,0|3,0,0]=4 651 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,0,0,0,0|2,0,0]=3 652 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,0,0,0,0|2,0,0]=3 653 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [0,1,0,0,0,0|2,0,0]=3 654 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [0,1,0,0,0,0|2,0,0]=3 655 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [0,1,0,0,0,0|2,0,0]=3 656 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [0,1,0,0,0,0|2,0,0]=3 657 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 658 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 659 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 660 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 661 B9R0.6 CCCN(C)C(=O)C(F)F 11a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 662 B9R0.6 CCCN(C)C(=O)C(F)F 1626a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 663 B9R0.6 CCCN(C)C(=O)C(F)F 240690a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 664 B9R0.6 CCCN(C)C(=O)C(F)F 527a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 665 B9R0.6 CCCN(C)C(=O)C(O)O 240690a_100000747261_100000233687 [0,1,0,0,0,0|2,0,0]=3 666 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [0,1,0,0,0,0|1,0,0]=2 667 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [0,1,0,0,0,0|1,0,0]=2 668 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [0,1,0,0,0,0|1,0,0]=2 669 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,1,0,0,0,0|3,0,0]=4 670 B9R0.6 CN(C)C(=O)C(=O)CCO 1458a_100011218876_100000211926 [0,1,0,0,0,0|3,0,0]=4 671 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [0,1,0,0,0,0|1,0,2]=4 672 B9R0.6 CN(CCO)C(=O)C(F)F 240690a_100000210263_100000210393 [0,1,0,0,0,0|2,0,0]=3 673 B9R0.6 CN(CCO)C(=O)C(F)F 527a_100000210263_100000210393 [0,1,0,0,0,0|2,0,0]=3 674 B9R0.6 CN(CCO)C(=O)C(O)O 240690a_100000210263_100000233687 [0,1,0,0,0,0|1,0,0]=2 675 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.6 C[C@@H](O)C(=O)N(C)CCO 240690a_100000210263_100000717761 [0,1,0,0,0,0|0,0,0]=1 678 B9R0.6 C[C@H](O)C(=O)N(C)CC#N 1626a_100000748184_217856618621 [0,1,0,0,0,0|1,0,1]=3 679 B9R0.6 C[C@H](O)C(=O)N(C)CCO 240690a_100000210263_217856618621 [0,1,0,0,0,0|0,0,0]=1 680 B9R0.7 C=C(Br)C(=O)NCC(C)O 11a_100000210904_100009813364 [0,1,0,0,0,0|1,0,2]=4 681 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|2,0,1]=4 682 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,1,0,0,0,0|2,0,1]=4 683 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,1,0,0,0,0|2,0,1]=4 684 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,1,0,0,0,0|1,0,1]=3 685 B9R0.7 C=C(C)C(=O)NCC(F)F 11a_100000765723_100000185857 [0,1,0,0,0,0|2,0,1]=4 686 B9R0.7 C=C(C)C(=O)NCC(F)F 1626a_100000765723_100000185857 [0,1,0,0,0,0|2,0,1]=4 687 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,1,0,0,0,0|2,0,1]=4 688 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,1,0,0,0,0|2,0,1]=4 689 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [0,1,0,0,0,0|2,0,1]=4 690 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.7 C=C(C)CNC(=O)C(C)F 11a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.7 C=C(C)CNC(=O)C(C)F 1626a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 695 B9R0.7 C=C(C)CNC(=O)C(C)F 240690a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.7 C=C(C)CNC(=O)C(C)F 527a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.7 C=C(C)CNC(=O)C(O)O 240690a_100000765925_100000233687 [0,1,0,0,0,0|2,0,1]=4 698 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [0,1,0,0,0,0|1,0,1]=3 699 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [0,1,0,0,0,0|1,0,1]=3 700 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [0,1,0,0,0,0|1,0,1]=3 701 B9R0.7 C=C(Cl)C(=O)NCC(C)O 11a_100000210904_100000039160 [0,1,0,0,0,0|1,0,2]=4 702 B9R0.7 C=C(F)C(=O)NCC(C)O 11a_100000210904_100000036797 [0,1,0,0,0,0|1,0,2]=4 703 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|1,0,2]=4 704 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|1,0,2]=4 705 B9R0.7 CC(=O)NNC(=O)[C@@H](C)O 22a_100000189765_100000717761 [0,1,0,0,0,0|1,0,2]=4 706 B9R0.7 CC(=O)NNC(=O)[C@H](C)O 22a_100000189765_217856618621 [0,1,0,0,0,0|1,0,2]=4 707 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,0|1,0,2]=4 708 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,0|1,0,2]=4 709 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,0|1,0,2]=4 710 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|1,0,2]=4 711 B9R0.7 CC(C)C(=O)NCC(F)F 11a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 712 B9R0.7 CC(C)C(=O)NCC(F)F 1626a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 713 B9R0.7 CC(C)C(=O)NCC(F)F 240690a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 714 B9R0.7 CC(C)C(=O)NCC(F)F 527a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 715 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [0,1,0,0,0,0|2,0,1]=4 716 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,1,0,0,0,0|3,0,0]=4 717 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,1,0,0,0,0|3,0,0]=4 718 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,1,0,0,0,0|3,0,0]=4 719 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|2,0,0]=3 721 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|2,0,0]=3 722 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|1,0,2]=4 723 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,1,0,0,0,0|2,0,0]=3 724 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,1,0,0,0,0|2,0,0]=3 725 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,1,0,0,0,0|2,0,0]=3 726 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,1,0,0,0,0|2,0,0]=3 727 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 728 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 729 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 730 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 731 B9R0.7 CC(C)CNC(=O)C(F)F 11a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 732 B9R0.7 CC(C)CNC(=O)C(F)F 1626a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 733 B9R0.7 CC(C)CNC(=O)C(F)F 240690a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 734 B9R0.7 CC(C)CNC(=O)C(F)F 527a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 735 B9R0.7 CC(C)CNC(=O)C(O)O 240690a_100000210953_100000233687 [0,1,0,0,0,0|2,0,0]=3 736 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,1,0,0,0,0|3,0,0]=4 737 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,1,0,0,0,0|1,0,0]=2 738 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,1,0,0,0,0|1,0,0]=2 739 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,1,0,0,0,0|1,0,0]=2 740 B9R0.7 CC(C)NNC(=O)C(C)C 22a_100000741168_100000210198 [0,1,0,0,0,0|3,0,0]=4 741 B9R0.7 CC(C)NNC(=O)C(C)F 22a_100000741168_100000062450 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.7 CC(C)NNC(=O)C(O)O 22a_100000741168_100000233687 [0,1,0,0,0,0|3,0,0]=4 743 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [0,1,0,0,0,0|2,0,0]=3 744 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [0,1,0,0,0,0|2,0,0]=3 745 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [0,1,0,0,0,0|1,0,2]=4 746 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [0,1,0,0,0,0|1,0,2]=4 747 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [0,1,0,0,0,0|1,0,2]=4 748 B9R0.7 CC(F)C(=O)NCC(F)F 11a_100000765723_100000062450 [0,1,0,0,0,0|2,0,0]=3 749 B9R0.7 CC(F)C(=O)NCC(F)F 1626a_100000765723_100000062450 [0,1,0,0,0,0|2,0,0]=3 750 B9R0.7 CC(F)C(=O)NCC(F)F 240690a_100000765723_100000062450 [0,1,0,0,0,0|2,0,0]=3 751 B9R0.7 CC(F)C(=O)NCC(F)F 527a_100000765723_100000062450 [0,1,0,0,0,0|2,0,0]=3 752 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,0|2,0,0]=3 753 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,1,0,0,0,0|2,0,0]=3 754 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,1,0,0,0,0|2,0,0]=3 755 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,1,0,0,0,0|3,0,0]=4 756 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|1,0,0]=2 757 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|1,0,0]=2 758 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,1,0,0,0,0|1,0,2]=4 759 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,1,0,0,0,0|1,0,0]=2 760 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,1,0,0,0,0|1,0,0]=2 761 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,1,0,0,0,0|1,0,0]=2 762 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,1,0,0,0,0|1,0,0]=2 763 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,1,0,0,0,0|1,0,0]=2 764 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,1,0,0,0,0|1,0,0]=2 765 B9R0.7 CC(O)CNC(=O)C(F)F 11a_100000210904_100000210393 [0,1,0,0,0,0|2,0,0]=3 766 B9R0.7 CC(O)CNC(=O)C(F)F 240690a_100000210904_100000210393 [0,1,0,0,0,0|2,0,0]=3 767 B9R0.7 CC(O)CNC(=O)C(F)F 527a_100000210904_100000210393 [0,1,0,0,0,0|2,0,0]=3 768 B9R0.7 CC(O)CNC(=O)C(O)O 240690a_100000210904_100000233687 [0,1,0,0,0,0|1,0,0]=2 769 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,1,0,0,0,0|0,0,0]=1 770 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,1,0,0,0,0|0,0,0]=1 771 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [0,1,0,0,0,0|2,0,1]=4 772 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,1,0,0,0,0|0,0,2]=3 773 B9R0.7 C[C@@H](O)C(=O)NCC(F)F 240690a_100000765723_100000717761 [0,1,0,0,0,0|1,0,0]=2 774 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,1,0,0,0,0|0,0,2]=3 775 B9R0.7 C[C@H](O)C(=O)NCC(F)F 1626a_100000765723_217856618621 [0,1,0,0,0,0|1,0,0]=2 776 B9R0.7 C[C@H](O)C(=O)NCC(F)F 240690a_100000765723_217856618621 [0,1,0,0,0,0|1,0,0]=2 777 B9R0.7 NC(=O)CNC(=O)C(O)O 240690a_100000711301_100000233687 [0,1,0,0,0,0|1,0,2]=4 778 B9R0.7 O=C(NCC(F)F)C(F)F 11a_100000765723_100000210393 [0,1,0,0,0,0|3,0,0]=4 779 B9R0.7 O=C(NCC(F)F)C(F)F 1626a_100000765723_100000210393 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.7 O=C(NCC(F)F)C(F)F 240690a_100000765723_100000210393 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.7 O=C(NCC(F)F)C(F)F 527a_100000765723_100000210393 [0,1,0,0,0,0|3,0,0]=4 782 B9R0.7 O=C(NCC(F)F)C(O)O 240690a_100000765723_100000233687 [0,1,0,0,0,0|2,0,0]=3 783 B9R0.8 C#CC(C)C(=O)C#CCO 1458a_100000049017_200000035995 [0,1,0,0,0,0|2,0,1]=4 784 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.8 C#CCCC(=O)C(C)OC 1458a_100000743197_100000753159 [0,1,0,0,0,0|2,0,1]=4 786 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,1,0,0,0,0|2,0,1]=4 787 B9R0.8 C#CCCC(=O)C(O)CO 1458a_100011215603_100000753159 [0,1,0,0,0,0|2,0,1]=4 788 B9R0.8 C#CCNC(=O)C(C)C#N 11a_100000212058_100000753662 [0,1,0,0,0,0|2,0,1]=4 789 B9R0.8 C#CCNC(=O)C(C)C#N 1626a_100000212058_100000753662 [0,1,0,0,0,0|2,0,1]=4 790 B9R0.8 C#CCNC(=O)C(C)C#N 240690a_100000212058_100000753662 [0,1,0,0,0,0|2,0,1]=4 791 B9R0.8 C#CCNC(=O)C(C)C#N 527a_100000212058_100000753662 [0,1,0,0,0,0|2,0,1]=4 792 B9R0.8 C#CCNC(=O)C(C)C=C 11a_100000212058_100011216780 [0,1,0,0,0,0|2,0,1]=4 793 B9R0.8 C#CCNC(=O)C(C)C=C 1626a_100000212058_100011216780 [0,1,0,0,0,0|2,0,1]=4 794 B9R0.8 C#CCNC(=O)C(C)C=C 240690a_100000212058_100011216780 [0,1,0,0,0,0|2,0,1]=4 795 B9R0.8 C#CCNC(=O)C(C)C=C 527a_100000212058_100011216780 [0,1,0,0,0,0|2,0,1]=4 796 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [0,1,0,0,0,0|2,0,1]=4 797 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [0,1,0,0,0,0|2,0,1]=4 798 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [0,1,0,0,0,0|2,0,1]=4 799 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.8 C#CCNC(=O)C(C)NC 2230a_106832991635_100000735948 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.8 C#CCNC(=O)C(C)NC 34a_100102657272_100000735948 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.8 C#CCNC(=O)C(C)NC 7a_106832991635_100000735948 [0,1,0,0,0,0|2,0,1]=4 803 B9R0.8 C#CCNC(=O)C(C)OC 11a_100000212058_100000743197 [0,1,0,0,0,0|1,0,1]=3 804 B9R0.8 C#CCNC(=O)C(C)OC 1626a_100000212058_100000743197 [0,1,0,0,0,0|1,0,1]=3 805 B9R0.8 C#CCNC(=O)C(C)OC 240690a_100000212058_100000743197 [0,1,0,0,0,0|1,0,1]=3 806 B9R0.8 C#CCNC(=O)C(C)OC 34a_100138415774_100000735948 [0,1,0,0,0,0|1,0,1]=3 807 B9R0.8 C#CCNC(=O)C(C)OC 527a_100000212058_100000743197 [0,1,0,0,0,0|1,0,1]=3 808 B9R0.8 C#CCNC(=O)C(C)SC 11a_100000212058_100000149566 [0,1,0,0,0,0|1,1,1]=4 809 B9R0.8 C#CCNC(=O)C(C)SC 1626a_100000212058_100000149566 [0,1,0,0,0,0|1,1,1]=4 810 B9R0.8 C#CCNC(=O)C(C)SC 240690a_100000212058_100000149566 [0,1,0,0,0,0|1,1,1]=4 811 B9R0.8 C#CCNC(=O)C(C)SC 527a_100000212058_100000149566 [0,1,0,0,0,0|1,1,1]=4 812 B9R0.8 C#CCNC(=O)C(C)SC 62a_100000735948_200000210301 [0,1,0,0,0,0|1,1,1]=4 813 B9R0.8 C#CCNC(=O)C(C)SC 62a_200000210301_100000735948 [0,1,0,0,0,0|1,1,1]=4 814 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_100000735948_200025704644 [0,1,0,0,0,0|1,1,1]=4 815 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735948 [0,1,0,0,0,0|1,1,1]=4 816 B9R0.8 C#CCNC(=O)C(O)CC 240690a_100000212058_100011196387 [0,1,0,0,0,0|1,0,1]=3 817 B9R0.8 C#CCNC(=O)C(O)CO 240690a_100000212058_100011215603 [0,1,0,0,0,0|1,0,1]=3 818 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,1,0,0,0,0|2,0,1]=4 822 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,1,0,0,0,0|2,0,1]=4 823 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|3,0,0]=4 824 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,1,0,0,0,0|3,0,0]=4 825 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,1,0,0,0,0|2,0,0]=3 826 B9R0.8 C=CC(C)C(=O)NCC#N 1626a_100000734998_100011216780 [0,1,0,0,0,0|2,0,1]=4 827 B9R0.8 C=CC(C)C(=O)NCC#N 527a_100000734998_100011216780 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,1,0,0,0,0|2,0,0]=3 829 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,1,0,0,0,0|2,0,0]=3 830 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,1,0,0,0,0|2,0,0]=3 831 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,1,0,0,0,0|2,0,0]=3 832 B9R0.8 C=CC(C)C(=O)NCCF 11a_100000724931_100011216780 [0,1,0,0,0,0|2,0,0]=3 833 B9R0.8 C=CC(C)C(=O)NCCF 1626a_100000724931_100011216780 [0,1,0,0,0,0|2,0,0]=3 834 B9R0.8 C=CC(C)C(=O)NCCF 240690a_100000724931_100011216780 [0,1,0,0,0,0|2,0,0]=3 835 B9R0.8 C=CC(C)C(=O)NCCF 527a_100000724931_100011216780 [0,1,0,0,0,0|2,0,0]=3 836 B9R0.8 C=CC(C)C(=O)NCCO 240690a_100000210304_100011216780 [0,1,0,0,0,0|1,0,0]=2 837 B9R0.8 C=CC(C)C(=O)NCCO 527a_100000210304_100011216780 [0,1,0,0,0,0|1,0,0]=2 838 B9R0.8 C=CC(C)C(=O)NNCC 22a_100000756455_100011216780 [0,1,0,0,0,0|3,0,0]=4 839 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,1,0,0,0,0|2,0,1]=4 840 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.8 C=CCCC(=O)C(O)CO 1458a_100011215603_100000754431 [0,1,0,0,0,0|2,0,1]=4 842 B9R0.8 C=CCNC(=O)C(C)C#N 1626a_100020586998_100000753662 [0,1,0,0,0,0|2,0,1]=4 843 B9R0.8 C=CCNC(=O)C(C)C#N 240690a_100020586998_100000753662 [0,1,0,0,0,0|2,0,1]=4 844 B9R0.8 C=CCNC(=O)C(C)C#N 527a_100020586998_100000753662 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.8 C=CCNC(=O)C(C)C=C 1626a_100020586998_100011216780 [0,1,0,0,0,0|2,0,1]=4 846 B9R0.8 C=CCNC(=O)C(C)C=C 240690a_100020586998_100011216780 [0,1,0,0,0,0|2,0,1]=4 847 B9R0.8 C=CCNC(=O)C(C)C=C 527a_100020586998_100011216780 [0,1,0,0,0,0|2,0,1]=4 848 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,1,0,0,0,0|2,0,1]=4 849 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,1,0,0,0,0|2,0,1]=4 851 B9R0.8 C=CCNC(=O)C(C)NC 2230a_106832991635_100000230288 [0,1,0,0,0,0|2,0,1]=4 852 B9R0.8 C=CCNC(=O)C(C)NC 7a_106832991635_100000230288 [0,1,0,0,0,0|2,0,1]=4 853 B9R0.8 C=CCNC(=O)C(C)OC 1626a_100020586998_100000743197 [0,1,0,0,0,0|1,0,1]=3 854 B9R0.8 C=CCNC(=O)C(C)OC 240690a_100020586998_100000743197 [0,1,0,0,0,0|1,0,1]=3 855 B9R0.8 C=CCNC(=O)C(C)OC 527a_100020586998_100000743197 [0,1,0,0,0,0|1,0,1]=3 856 B9R0.8 C=CCNC(=O)C(C)SC 1626a_100020586998_100000149566 [0,1,0,0,0,0|1,1,1]=4 857 B9R0.8 C=CCNC(=O)C(C)SC 240690a_100020586998_100000149566 [0,1,0,0,0,0|1,1,1]=4 858 B9R0.8 C=CCNC(=O)C(C)SC 527a_100020586998_100000149566 [0,1,0,0,0,0|1,1,1]=4 859 B9R0.8 C=CCNC(=O)C(C)SC 62a_100000230288_200000210301 [0,1,0,0,0,0|1,1,1]=4 860 B9R0.8 C=CCNC(=O)C(C)SC 62a_200000210301_100000230288 [0,1,0,0,0,0|1,1,1]=4 861 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_100000230288_200025704644 [0,1,0,0,0,0|1,1,1]=4 862 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230288 [0,1,0,0,0,0|1,1,1]=4 863 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [0,1,0,0,0,0|1,0,1]=3 864 B9R0.8 C=CCNC(=O)C(O)CO 240690a_100020586998_100011215603 [0,1,0,0,0,0|1,0,1]=3 865 B9R0.8 CC(C#N)C(=O)C#CCO 1458a_100000049017_100000703298 [0,1,0,0,0,0|2,0,1]=4 866 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,1,0,0,0,0|3,0,0]=4 867 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,1,0,0,0,0|2,0,0]=3 868 B9R0.8 CC(C#N)C(=O)NCC#N 1626a_100000734998_100000753662 [0,1,0,0,0,0|2,0,1]=4 869 B9R0.8 CC(C#N)C(=O)NCC#N 527a_100000734998_100000753662 [0,1,0,0,0,0|2,0,1]=4 870 B9R0.8 CC(C#N)C(=O)NCCF 11a_100000724931_100000753662 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.8 CC(C#N)C(=O)NCCF 1626a_100000724931_100000753662 [0,1,0,0,0,0|2,0,0]=3 872 B9R0.8 CC(C#N)C(=O)NCCF 240690a_100000724931_100000753662 [0,1,0,0,0,0|2,0,0]=3 873 B9R0.8 CC(C#N)C(=O)NCCF 527a_100000724931_100000753662 [0,1,0,0,0,0|2,0,0]=3 874 B9R0.8 CC(C#N)C(=O)NCCO 240690a_100000210304_100000753662 [0,1,0,0,0,0|1,0,0]=2 875 B9R0.8 CC(C#N)C(=O)NCCO 527a_100000210304_100000753662 [0,1,0,0,0,0|1,0,0]=2 876 B9R0.8 CC(CO)N(C)CCCO 2230a_100000213112_100012180447 [0,1,0,0,0,0|3,0,0]=4 877 B9R0.8 CC(CO)N(C)CCCO 2230a_100000693034_100000230001 [0,1,0,0,0,0|3,0,0]=4 878 B9R0.8 CC(CO)N(C)CCCO 269982a_100000693034_100011215043 [0,1,0,0,0,0|3,0,0]=4 879 B9R0.8 CC=NNC(=O)C(C)OC 4a_100000243824_200000210099 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|3,0,0]=4 882 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|2,0,0]=3 883 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [0,1,0,0,0,0|2,0,1]=4 885 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 886 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 887 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 888 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 889 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,1,0,0,0,0|1,0,0]=2 890 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,1,0,0,0,0|1,0,0]=2 891 B9R0.8 CCC(C)C(C)NCCO 269862a_100000210304_100000210599 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.8 CCC(C)C(C)NCCO 270004a_100000210304_100000210599 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|2,0,0]=3 895 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|1,0,0]=2 896 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|3,0,0]=4 897 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|3,0,0]=4 898 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,1,0,0,0,0|1,0,0]=2 899 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,1,0,0,0,0|0,0,0]=1 900 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,1,0,0,0,0|3,0,0]=4 901 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,1,0,0,0,0|3,0,0]=4 902 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|3,0,0]=4 903 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|3,0,0]=4 904 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|2,0,0]=3 905 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|2,1,0]=4 906 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|2,0,0]=3 907 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|1,0,2]=4 909 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|1,0,2]=4 910 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|1,0,2]=4 911 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|1,0,2]=4 912 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|1,0,2]=4 913 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|1,0,2]=4 914 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|1,0,2]=4 915 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|1,0,2]=4 916 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|1,0,2]=4 917 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|1,0,2]=4 918 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|1,0,2]=4 919 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|1,0,2]=4 920 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,1,0,0,0,0|2,0,0]=3 921 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,1,0,0,0,0|2,0,0]=3 922 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,1,0,0,0,0|2,0,0]=3 923 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|2,0,0]=3 925 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|2,0,0]=3 926 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|2,0,0]=3 928 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,1,0,0,0,0|2,0,0]=3 929 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,1,0,0,0,0|2,0,0]=3 930 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,1,0,0,0,0|2,0,0]=3 931 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,1,0,0,0,0|2,0,0]=3 932 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,1,0,0,0,0|2,0,0]=3 933 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,1,0,0,0,0|2,0,0]=3 934 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,1,0,0,0,0|2,0,0]=3 935 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 936 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 937 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 938 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,1,0,0,0,0|1,0,0]=2 939 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 940 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,1,0,0,0,0|1,1,0]=3 941 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,1,0,0,0,0|1,1,0]=3 942 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,1,0,0,0,0|1,1,0]=3 943 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,1,0,0,0,0|1,1,0]=3 944 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,1,0,0,0,0|1,1,0]=3 945 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,1,0,0,0,0|1,1,0]=3 946 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,1,0,0,0,0|1,1,0]=3 947 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,1,0,0,0,0|1,1,0]=3 948 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|1,0,0]=2 949 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,1,0,0,0,0|1,0,0]=2 950 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,0,0,0,0|3,0,0]=4 951 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,1,0,0,0,0|3,0,0]=4 954 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,1,0,0,0,0|3,0,0]=4 955 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,1,0,0,0,0|2,0,0]=3 956 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,1,0,0,0,0|2,0,0]=3 957 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,1,0,0,0,0|2,0,0]=3 958 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,1,0,0,0,0|2,0,0]=3 959 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,1,0,0,0,0|2,0,0]=3 960 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,1,0,0,0,0|2,1,0]=4 961 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,1,0,0,0,0|2,1,0]=4 962 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,1,0,0,0,0|2,1,0]=4 963 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,1,0,0,0,0|2,1,0]=4 964 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,1,0,0,0,0|2,0,0]=3 966 B9R0.8 CCNNC(=O)C(C)C#N 22a_100000756455_100000753662 [0,1,0,0,0,0|3,0,0]=4 967 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,1,0,0,0,0|2,0,0]=3 969 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,1,0,0,0,0|2,1,0]=4 970 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,1,0,0,0,0|2,0,0]=3 971 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,1,0,0,0,0|2,0,0]=3 972 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|1,0,2]=4 973 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,1,0,0,0,0|1,0,2]=4 974 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,1,0,0,0,0|1,0,2]=4 975 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,1,0,0,0,0|1,0,2]=4 976 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,1,0,0,0,0|0,0,2]=3 977 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,1,0,0,0,0|0,0,2]=3 978 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,0,0,0,0|1,0,2]=4 979 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,0,0,0,0|1,0,2]=4 980 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,0,0,0,0|1,0,2]=4 981 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,0,0,0,0|1,0,2]=4 982 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|0,0,2]=3 983 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|0,0,2]=3 984 B9R0.8 COC(C)C(=O)CCC#N 1458a_100000743197_100011215226 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,1,0,0,0,0|1,0,0]=2 987 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|3,0,0]=4 988 B9R0.8 COC(C)C(=O)NCC#N 1626a_100000734998_100000743197 [0,1,0,0,0,0|1,0,1]=3 989 B9R0.8 COC(C)C(=O)NCC#N 527a_100000734998_100000743197 [0,1,0,0,0,0|1,0,1]=3 990 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,1,0,0,0,0|1,0,0]=2 991 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,1,0,0,0,0|1,0,0]=2 992 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,1,0,0,0,0|1,0,0]=2 993 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,1,0,0,0,0|1,0,0]=2 994 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,1,0,0,0,0|0,0,0]=1 995 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,1,0,0,0,0|0,0,0]=1 996 B9R0.8 COC(C)N(C)CCCO 269982a_100000213112_100009879195 [0,1,0,0,0,0|3,0,0]=4 997 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|3,0,0]=4 998 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|3,0,0]=4 999 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,1,0,0,0,0|2,1,0]=4 1000 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,1,0,0,0,0|1,1,0]=3 1001 B9R0.8 CSC(C)C(=O)NCC#N 1626a_100000734998_100000149566 [0,1,0,0,0,0|1,1,1]=4 1002 B9R0.8 CSC(C)C(=O)NCC#N 527a_100000734998_100000149566 [0,1,0,0,0,0|1,1,1]=4 1003 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,1,0,0,0,0|1,1,0]=3 1004 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,1,0,0,0,0|1,1,0]=3 1005 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,1,0,0,0,0|1,1,0]=3 1006 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,1,0,0,0,0|1,1,0]=3 1007 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,1,0,0,0,0|0,1,0]=2 1008 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,1,0,0,0,0|0,1,0]=2 1009 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|3,0,0]=4 1010 B9R0.8 C[C@H](CO)N(C)CCCO 269982a_100000213112_100016084084 [0,1,0,0,0,0|3,0,0]=4 1011 B9R0.8 N#CCCC(=O)C(O)CO 1458a_100011215603_100011215226 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,1,0,0,0,0|2,0,0]=3 1013 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,0,0,0,0|1,0,0]=2 1014 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,1,0,0,0,0|1,0,0]=2 1015 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,1,0,0,0,0|0,0,0]=1 1016 B9R0.13 CC(C)[C@H](CO)NCCO 2230a_100011830312_100000211926 [0,1,0,0,0,0|1,0,2]=4 1017 B9R0.13 CC(C)[C@H](CO)NCCO 34a_100011830312_100000211926 [0,1,0,0,0,0|1,0,2]=4 1018 B9R0.13 CCC(NCCO)C(C)C 270004a_100000210304_100000210600 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [0,1,0,0,0,0|1,0,2]=4 1022 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [0,1,0,0,0,0|1,0,2]=4 1023 B9R0.13 CC[C@H](NCCF)[C@@H](C)O 2230a_100161114882_100011217306 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.13 CC[C@H](NCCF)[C@@H](C)O 34a_100161114882_100011217306 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2230a_100161114882_100000211926 [0,1,0,0,0,0|1,0,1]=3 1026 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 34a_100161114882_100000211926 [0,1,0,0,0,0|1,0,1]=3 1027 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 2230a_100015196842_100011217306 [0,1,0,0,0,0|1,0,2]=4 1028 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 34a_100015196842_100011217306 [0,1,0,0,0,0|1,0,2]=4 1029 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [0,1,0,0,0,0|0,0,2]=3 1030 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [0,1,0,0,0,0|0,0,2]=3 1031 B9R0.42 C#CC(C)NC(=O)C(C)C 11a_100000707721_100000210198 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.42 C#CC(C)NC(=O)C(C)C 1626a_100000707721_100000210198 [0,1,0,0,0,0|2,0,1]=4 1033 B9R0.42 C#CC(C)NC(=O)C(C)C 240690a_100000707721_100000210198 [0,1,0,0,0,0|2,0,1]=4 1034 B9R0.42 C#CC(C)NC(=O)C(C)C 527a_100000707721_100000210198 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.42 C#CC(C)NC(=O)C(C)F 11a_100000707721_100000062450 [0,1,0,0,0,0|2,0,1]=4 1036 B9R0.42 C#CC(C)NC(=O)C(C)F 1626a_100000707721_100000062450 [0,1,0,0,0,0|2,0,1]=4 1037 B9R0.42 C#CC(C)NC(=O)C(C)F 240690a_100000707721_100000062450 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.42 C#CC(C)NC(=O)C(C)F 527a_100000707721_100000062450 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.42 C#CC(C)NC(=O)C(O)O 240690a_100000707721_100000233687 [0,1,0,0,0,0|2,0,1]=4 1040 B9R0.42 C#CC(C)NC(=O)[C@@H](C)O 240690a_100000707721_100000717761 [0,1,0,0,0,0|1,0,1]=3 1041 B9R0.42 C#CC(C)NC(=O)[C@H](C)O 1626a_100000707721_217856618621 [0,1,0,0,0,0|1,0,1]=3 1042 B9R0.42 C#CC(C)NC(=O)[C@H](C)O 240690a_100000707721_217856618621 [0,1,0,0,0,0|1,0,1]=3 1043 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,0,0|2,0,1]=4 1044 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,1,0,0,0,0|2,0,1]=4 1045 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000185857 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000185857 [0,1,0,0,0,0|2,0,1]=4 1048 B9R0.42 CC(C#N)NC(=O)C(C)C 11a_100000737613_100000210198 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.42 CC(C#N)NC(=O)C(C)C 1626a_100000737613_100000210198 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.42 CC(C#N)NC(=O)C(C)C 527a_100000737613_100000210198 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.42 CC(C#N)NC(=O)C(C)F 11a_100000737613_100000062450 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.42 CC(C#N)NC(=O)C(C)F 1626a_100000737613_100000062450 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.42 CC(C#N)NC(=O)C(C)F 527a_100000737613_100000062450 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.42 CC(C#N)NC(=O)[C@H](C)O 1626a_100000737613_217856618621 [0,1,0,0,0,0|1,0,1]=3 1055 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,0,0|2,0,0]=3 1057 B9R0.42 CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1058 B9R0.42 CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1059 B9R0.42 CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1060 B9R0.42 CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1061 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,1,0,0,0,0|1,0,0]=2 1062 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,1,0,0,0,0|1,0,0]=2 1063 B9R0.42 CC(CO)NC(C)C(C)C 2230a_100000211541_100012180447 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,1,0,0,0,0|2,0,0]=3 1065 B9R0.42 CC(F)C(=O)N[C@H](C)CF 11a_100102880703_100000062450 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.42 CC(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000062450 [0,1,0,0,0,0|2,0,0]=3 1067 B9R0.42 CC(F)C(=O)N[C@H](C)CF 240690a_100102880703_100000062450 [0,1,0,0,0,0|2,0,0]=3 1068 B9R0.42 CC(F)C(=O)N[C@H](C)CF 527a_100102880703_100000062450 [0,1,0,0,0,0|2,0,0]=3 1069 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [0,1,0,0,0,0|1,0,0]=2 1070 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [0,1,0,0,0,0|1,0,0]=2 1071 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,1,0,0,0,0|2,0,1]=4 1072 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,0,0,0,0|3,0,0]=4 1075 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,1,0,0,0,0|3,0,0]=4 1076 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,0|3,0,0]=4 1077 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,0|2,0,0]=3 1078 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,0|2,0,0]=3 1079 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,0|1,0,2]=4 1080 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,0|1,0,2]=4 1081 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,1,0,0,0,0|2,0,0]=3 1082 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,1,0,0,0,0|2,0,0]=3 1083 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,1,0,0,0,0|2,0,0]=3 1084 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,1,0,0,0,0|2,0,0]=3 1085 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1086 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1087 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1088 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1089 B9R0.42 CCC(C)NC(=O)C(F)F 11a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.42 CCC(C)NC(=O)C(F)F 1626a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.42 CCC(C)NC(=O)C(F)F 240690a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.42 CCC(C)NC(=O)C(F)F 527a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [0,1,0,0,0,0|2,0,0]=3 1094 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,1,0,0,0,0|1,0,0]=2 1096 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,1,0,0,0,0|1,0,0]=2 1097 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,1,0,0,0,0|1,0,0]=2 1098 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,1,0,0,0,0|2,0,0]=3 1103 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,1,0,0,0,0|2,0,0]=3 1104 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,1,0,0,0,0|3,0,0]=4 1106 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,0|2,0,0]=3 1108 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,0|2,0,0]=3 1109 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,1,0,0,0,0|2,0,0]=3 1110 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,0|1,0,0]=2 1111 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,0|1,0,0]=2 1112 B9R0.42 C[C@H](CF)NC(=O)C(F)F 11a_100102880703_100000210393 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.42 C[C@H](CF)NC(=O)C(F)F 1626a_100102880703_100000210393 [0,1,0,0,0,0|3,0,0]=4 1114 B9R0.42 C[C@H](CF)NC(=O)C(F)F 240690a_100102880703_100000210393 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.42 C[C@H](CF)NC(=O)C(F)F 527a_100102880703_100000210393 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.42 C[C@H](CF)NC(=O)C(O)O 240690a_100102880703_100000233687 [0,1,0,0,0,0|2,0,0]=3 1117 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,1,0,0,0,0|1,0,0]=2 1118 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,1,0,0,0,0|1,0,0]=2 1119 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,1,0,0,0,0|1,0,0]=2 1120 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,0,0,0,0|1,0,2]=4 1121 B9R0.42 C[C@H](CO)NC(=O)C(F)F 240690a_100000737577_100000210393 [0,1,0,0,0,0|2,0,0]=3 1122 B9R0.42 C[C@H](CO)NC(=O)C(F)F 527a_100000737577_100000210393 [0,1,0,0,0,0|2,0,0]=3 1123 B9R0.42 C[C@H](CO)NC(=O)C(O)O 240690a_100000737577_100000233687 [0,1,0,0,0,0|1,0,0]=2 1124 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,1,0,0,0,0|0,0,0]=1 1125 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,1,0,0,0,0|0,0,0]=1 1126 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,1,0,0,0,0|3,0,0]=4 1127 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,1,0,0,0,0|3,0,0]=4 1128 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,1,0,0,0,0|3,0,0]=4 1129 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,1,0,0,0,0|3,0,0]=4 1130 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|2,0,0]=3 1131 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|2,0,0]=3 1132 B9R0.47 C#CCCNC(=O)C(=C)C 11a_100000755551_100000185857 [0,1,0,0,0,0|2,0,1]=4 1133 B9R0.47 C#CCCNC(=O)C(=C)C 1626a_100000755551_100000185857 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.47 C#CCCNC(=O)C(C)C 11a_100000755551_100000210198 [0,1,0,0,0,0|2,0,0]=3 1135 B9R0.47 C#CCCNC(=O)C(C)C 1626a_100000755551_100000210198 [0,1,0,0,0,0|2,0,0]=3 1136 B9R0.47 C#CCCNC(=O)C(C)C 240690a_100000755551_100000210198 [0,1,0,0,0,0|2,0,0]=3 1137 B9R0.47 C#CCCNC(=O)C(C)C 527a_100000755551_100000210198 [0,1,0,0,0,0|2,0,0]=3 1138 B9R0.47 C#CCCNC(=O)C(C)F 11a_100000755551_100000062450 [0,1,0,0,0,0|2,0,0]=3 1139 B9R0.47 C#CCCNC(=O)C(C)F 1626a_100000755551_100000062450 [0,1,0,0,0,0|2,0,0]=3 1140 B9R0.47 C#CCCNC(=O)C(C)F 240690a_100000755551_100000062450 [0,1,0,0,0,0|2,0,0]=3 1141 B9R0.47 C#CCCNC(=O)C(C)F 527a_100000755551_100000062450 [0,1,0,0,0,0|2,0,0]=3 1142 B9R0.47 C#CCCNC(=O)C(F)F 11a_100000755551_100000210393 [0,1,0,0,0,0|3,0,0]=4 1143 B9R0.47 C#CCCNC(=O)C(F)F 1626a_100000755551_100000210393 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.47 C#CCCNC(=O)C(F)F 240690a_100000755551_100000210393 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.47 C#CCCNC(=O)C(F)F 527a_100000755551_100000210393 [0,1,0,0,0,0|3,0,0]=4 1146 B9R0.47 C#CCCNC(=O)C(O)O 240690a_100000755551_100000233687 [0,1,0,0,0,0|2,0,0]=3 1147 B9R0.47 C#CCCNC(=O)N(C)C 2708a_100000755551_100102631434 [0,1,0,0,0,0|3,0,0]=4 1148 B9R0.47 C#CCCNC(=O)[C@@H](C)O 240690a_100000755551_100000717761 [0,1,0,0,0,0|1,0,0]=2 1149 B9R0.47 C#CCCNC(=O)[C@H](C)O 1626a_100000755551_217856618621 [0,1,0,0,0,0|1,0,0]=2 1150 B9R0.47 C#CCCNC(=O)[C@H](C)O 240690a_100000755551_217856618621 [0,1,0,0,0,0|1,0,0]=2 1151 B9R0.47 C#CCNCC(=O)C(C)C 34a_100000212058_100000753385 [0,1,0,0,0,0|2,0,1]=4 1152 B9R0.47 C=C(Br)C(=O)NCCOC 1626a_100000209980_100009813364 [0,1,0,0,0,0|1,0,2]=4 1153 B9R0.47 C=C(C)C(=NNCCO)C 4a_100000210001_100011216138 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.47 C=C(C)C(=O)NCCC#N 11a_100000720768_100000185857 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.47 C=C(C)C(=O)NCCC#N 1626a_100000720768_100000185857 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|2,0,1]=4 1159 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|2,0,1]=4 1160 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|2,0,1]=4 1161 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|2,0,1]=4 1162 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|2,0,1]=4 1163 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|2,0,1]=4 1164 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|1,0,1]=3 1165 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|1,1,1]=4 1166 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|1,1,1]=4 1167 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|2,0,1]=4 1168 B9R0.47 C=C(C)C(=O)NNCCO 22a_100000210001_100000185857 [0,1,0,0,0,0|1,0,1]=3 1169 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|2,0,1]=4 1170 B9R0.47 C=C(Cl)C(=O)NCCOC 1626a_100000209980_100000039160 [0,1,0,0,0,0|1,0,2]=4 1171 B9R0.47 C=C(Cl)C(=O)NNCCO 22a_100000210001_100000039160 [0,1,0,0,0,0|1,0,2]=4 1172 B9R0.47 C=C(F)C(=O)NCCOC 1626a_100000209980_100000036797 [0,1,0,0,0,0|1,0,2]=4 1173 B9R0.47 C=C(F)C(=O)NNCCO 22a_100000210001_100000036797 [0,1,0,0,0,0|1,0,2]=4 1174 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,1,0,0,0,0|3,0,0]=4 1175 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,1,0,0,0,0|3,0,0]=4 1176 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,1,0,0,0,0|3,0,0]=4 1177 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,1,0,0,0,0|3,0,0]=4 1178 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|2,0,0]=3 1179 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|2,0,0]=3 1180 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [0,1,0,0,0,0|2,0,1]=4 1181 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [0,1,0,0,0,0|2,0,1]=4 1182 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,1,0,0,0,0|2,0,0]=3 1183 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,1,0,0,0,0|2,0,0]=3 1184 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,1,0,0,0,0|2,0,0]=3 1185 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,1,0,0,0,0|2,0,0]=3 1186 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [0,1,0,0,0,0|2,0,0]=3 1187 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [0,1,0,0,0,0|2,0,0]=3 1188 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [0,1,0,0,0,0|2,0,0]=3 1189 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [0,1,0,0,0,0|2,0,0]=3 1190 B9R0.47 C=CCCNC(=O)C(F)F 11a_100015191253_100000210393 [0,1,0,0,0,0|3,0,0]=4 1191 B9R0.47 C=CCCNC(=O)C(F)F 1626a_100015191253_100000210393 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.47 C=CCCNC(=O)C(F)F 240690a_100015191253_100000210393 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.47 C=CCCNC(=O)C(F)F 527a_100015191253_100000210393 [0,1,0,0,0,0|3,0,0]=4 1194 B9R0.47 C=CCCNC(=O)C(O)O 240690a_100015191253_100000233687 [0,1,0,0,0,0|2,0,0]=3 1195 B9R0.47 C=CCCNC(=O)N(C)C 2708a_100015191253_100102631434 [0,1,0,0,0,0|3,0,0]=4 1196 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [0,1,0,0,0,0|1,0,0]=2 1197 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [0,1,0,0,0,0|1,0,0]=2 1198 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [0,1,0,0,0,0|1,0,0]=2 1199 B9R0.47 C=CCNCC(=O)C(C)C 2230a_100020586998_100000753385 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.47 C=CCNNC(=O)C(C)C 22a_100020588587_100000210198 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.47 C=CCNNC(=O)C(C)F 22a_100020588587_100000062450 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.47 C=CCNNC(=O)C(O)O 22a_100020588587_100000233687 [0,1,0,0,0,0|2,0,1]=4 1203 B9R0.47 C=CCNNC(=O)[C@@H](C)O 22a_100020588587_100000717761 [0,1,0,0,0,0|1,0,1]=3 1204 B9R0.47 C=CCNNC(=O)[C@H](C)O 22a_100020588587_217856618621 [0,1,0,0,0,0|1,0,1]=3 1205 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.47 CC#CCNC(=O)C(C)C 11a_100000685387_100000210198 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.47 CC#CCNC(=O)C(C)C 1626a_100000685387_100000210198 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.47 CC#CCNC(=O)C(C)C 527a_100000685387_100000210198 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.47 CC#CCNC(=O)C(C)F 11a_100000685387_100000062450 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.47 CC#CCNC(=O)C(C)F 1626a_100000685387_100000062450 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.47 CC#CCNC(=O)C(C)F 527a_100000685387_100000062450 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.47 CC#CCNC(=O)[C@H](C)O 1626a_100000685387_217856618621 [0,1,0,0,0,0|1,0,1]=3 1214 B9R0.47 CC(=NNCCO)C(C)C 4a_100000210001_100000211110 [0,1,0,0,0,0|2,0,0]=3 1215 B9R0.47 CC(=NNCCO)C(C)O 4a_100000210001_100000212229 [0,1,0,0,0,0|1,0,0]=2 1216 B9R0.47 CC(=NNCCO)C(F)F 4a_100000210001_100000764096 [0,1,0,0,0,0|3,0,0]=4 1217 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|1,0,2]=4 1218 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|0,0,2]=3 1219 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|1,0,2]=4 1220 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|1,0,2]=4 1221 B9R0.47 CC(C)C(=O)CC#CCO 1458a_100000210198_200000047223 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|2,0,0]=3 1226 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|2,0,0]=3 1227 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,1,0,0,0,0|2,0,0]=3 1228 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,1,0,0,0,0|1,0,0]=2 1229 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,1,0,0,0,0|1,0,0]=2 1230 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,1,0,0,0,0|2,0,0]=3 1233 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,1,0,0,0,0|3,0,0]=4 1235 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,1,0,0,0,0|2,0,0]=3 1236 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,1,0,0,0,0|2,0,0]=3 1237 B9R0.47 CC(C)C(=O)NCCC#N 11a_100000720768_100000210198 [0,1,0,0,0,0|2,0,0]=3 1238 B9R0.47 CC(C)C(=O)NCCC#N 1626a_100000720768_100000210198 [0,1,0,0,0,0|2,0,0]=3 1239 B9R0.47 CC(C)C(=O)NCCC#N 240690a_100000720768_100000210198 [0,1,0,0,0,0|2,0,0]=3 1240 B9R0.47 CC(C)C(=O)NCCC#N 527a_100000720768_100000210198 [0,1,0,0,0,0|2,0,0]=3 1241 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,0,0,0,0|1,0,0]=2 1246 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,0,0,0,0|1,0,0]=2 1247 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,1,0,0,0,0|2,0,0]=3 1248 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,1,0,0,0,0|2,0,0]=3 1249 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,1,0,0,0,0|1,0,0]=2 1250 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.47 CC(C)C(C)NCCCO 2230a_100000211541_100000230001 [0,1,0,0,0,0|2,0,1]=4 1253 B9R0.47 CC(C)C(O)CNCCO 2230a_100000759067_100000211926 [0,1,0,0,0,0|1,0,2]=4 1254 B9R0.47 CC(C)C(O)CNCCO 34a_100000759067_100000211926 [0,1,0,0,0,0|1,0,2]=4 1255 B9R0.47 CC(F)C(=O)CC#CCO 1458a_100000062450_200000047223 [0,1,0,0,0,0|2,0,1]=4 1256 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|2,0,0]=3 1259 B9R0.47 CC(F)C(=O)NCCC#N 11a_100000720768_100000062450 [0,1,0,0,0,0|2,0,0]=3 1260 B9R0.47 CC(F)C(=O)NCCC#N 1626a_100000720768_100000062450 [0,1,0,0,0,0|2,0,0]=3 1261 B9R0.47 CC(F)C(=O)NCCC#N 240690a_100000720768_100000062450 [0,1,0,0,0,0|2,0,0]=3 1262 B9R0.47 CC(F)C(=O)NCCC#N 527a_100000720768_100000062450 [0,1,0,0,0,0|2,0,0]=3 1263 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 1264 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 1266 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 1267 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,1,0,0,0,0|1,0,0]=2 1268 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,1,0,0,0,0|1,0,0]=2 1269 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,1,0,0,0,0|1,0,0]=2 1270 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,1,0,0,0,0|2,0,1]=4 1275 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,0,0,0,0|3,0,0]=4 1276 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,0,0,0,0|3,0,0]=4 1277 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|3,0,0]=4 1278 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|3,0,0]=4 1279 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|3,0,0]=4 1281 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|2,0,0]=3 1282 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|2,0,0]=3 1283 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 1284 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 1285 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 1286 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 1287 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 1288 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 1289 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 1290 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 1291 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 1293 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|2,0,0]=3 1296 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|1,0,0]=2 1298 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|1,0,0]=2 1299 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|1,0,0]=2 1300 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [0,1,0,0,0,0|3,0,0]=4 1302 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [0,1,0,0,0,0|2,0,0]=3 1303 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,0,0,0,0|2,0,0]=3 1304 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,0,0,0,0|2,0,0]=3 1305 B9R0.47 CCCNNC(=O)C(F)F 22a_100000740057_100000210393 [0,1,0,0,0,0|3,0,0]=4 1306 B9R0.47 CCCNNC(=O)C(O)O 22a_100000740057_100000233687 [0,1,0,0,0,0|2,0,0]=3 1307 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,0,0,0,0|1,0,0]=2 1308 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,0,0,0,0|1,0,0]=2 1309 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|3,0,0]=4 1310 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|3,0,0]=4 1311 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|3,0,0]=4 1312 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|3,0,0]=4 1313 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|3,0,0]=4 1316 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|3,0,0]=4 1317 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|3,0,0]=4 1318 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|2,0,0]=3 1319 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|2,0,0]=3 1320 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|2,0,0]=3 1325 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|2,0,0]=3 1326 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,1,0,0,0,0|3,0,0]=4 1327 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,1,0,0,0,0|3,0,0]=4 1328 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,1,0,0,0,0|3,0,0]=4 1329 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,1,0,0,0,0|3,0,0]=4 1330 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,1,0,0,0,0|3,0,0]=4 1331 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,1,0,0,0,0|2,0,0]=3 1332 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,1,0,0,0,0|2,0,0]=3 1333 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,1,0,0,0,0|2,0,0]=3 1334 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 1335 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 1336 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,1,0,0,0,0|3,0,0]=4 1337 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,1,0,0,0,0|3,0,0]=4 1338 B9R0.47 CN(C)C(=O)NCCC#N 2708a_100000720768_100102631434 [0,1,0,0,0,0|3,0,0]=4 1339 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,1,0,0,0,0|3,0,0]=4 1340 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,1,0,0,0,0|2,0,0]=3 1341 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,1,0,0,0,0|2,0,0]=3 1342 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,1,0,0,0,0|2,0,1]=4 1343 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|2,0,0]=3 1344 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|2,0,0]=3 1345 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|2,0,0]=3 1346 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|2,0,0]=3 1347 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,1,0,0,0,0|3,0,0]=4 1348 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,1,0,0,0,0|3,0,0]=4 1349 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,1,0,0,0,0|3,0,0]=4 1350 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,1,0,0,0,0|3,0,0]=4 1351 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,0,0]=2 1352 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,0,0]=2 1353 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,1,0,0,0,0|1,0,2]=4 1354 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,1,0,0,0,0|1,0,0]=2 1355 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,1,0,0,0,0|1,0,0]=2 1356 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,1,0,0,0,0|1,0,0]=2 1357 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,1,0,0,0,0|1,0,0]=2 1358 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,1,0,0,0,0|1,0,0]=2 1359 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,1,0,0,0,0|1,0,0]=2 1360 B9R0.47 COCCNC(=O)C(F)F 1626a_100000209980_100000210393 [0,1,0,0,0,0|2,0,0]=3 1361 B9R0.47 COCCNC(=O)C(F)F 240690a_100000209980_100000210393 [0,1,0,0,0,0|2,0,0]=3 1362 B9R0.47 COCCNC(=O)C(F)F 527a_100000209980_100000210393 [0,1,0,0,0,0|2,0,0]=3 1363 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,1,0,0,0,0|1,0,0]=2 1364 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|0,0,0]=1 1365 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|0,0,0]=1 1366 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|0,0,0]=1 1367 B9R0.47 COCCNC(C)C(C)C 2230a_100000211541_100011201679 [0,1,0,0,0,0|2,0,1]=4 1368 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,1,0,0,0,0|3,0,0]=4 1369 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,1,0,0,0,0|3,0,0]=4 1370 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|2,1,0]=4 1371 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,0,0,0,0|1,1,0]=3 1372 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,0,0,0,0|1,1,0]=3 1373 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,0,0,0,0|1,1,0]=3 1374 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,0,0,0,0|1,1,0]=3 1375 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,0,0,0,0|1,1,0]=3 1376 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,0,0,0,0|1,1,0]=3 1377 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,0,0,0,0|1,1,0]=3 1378 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,0,0,0,0|1,1,0]=3 1379 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,1,0,0,0,0|2,1,0]=4 1380 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,1,0,0,0,0|2,1,0]=4 1381 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,1,0,0,0,0|2,1,0]=4 1382 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,1,0,0,0,0|2,1,0]=4 1383 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,1,0,0,0,0|1,1,0]=3 1384 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,1,0,0,0,0|2,1,0]=4 1385 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|0,1,0]=2 1386 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|0,1,0]=2 1387 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|0,1,0]=2 1388 B9R0.47 C[C@@H](O)C(=O)CC#CCO 1458a_100000717761_200000047223 [0,1,0,0,0,0|1,0,1]=3 1389 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|2,0,0]=3 1390 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|2,0,0]=3 1391 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|1,0,0]=2 1392 B9R0.47 C[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100000717761 [0,1,0,0,0,0|1,0,0]=2 1393 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,0,0,0,0|1,0,0]=2 1394 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,0,0,0,0|0,0,0]=1 1395 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,1,0,0,0,0|0,0,0]=1 1396 B9R0.47 C[C@H](O)C(=O)CC#CCO 1458a_217856618621_200000047223 [0,1,0,0,0,0|1,0,1]=3 1397 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|2,0,0]=3 1398 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|2,0,0]=3 1399 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|1,0,0]=2 1400 B9R0.47 C[C@H](O)C(=O)NCCC#N 1626a_100000720768_217856618621 [0,1,0,0,0,0|1,0,0]=2 1401 B9R0.47 C[C@H](O)C(=O)NCCC#N 240690a_100000720768_217856618621 [0,1,0,0,0,0|1,0,0]=2 1402 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,0,0,0,0|1,0,0]=2 1403 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,0,0,0,0|1,0,0]=2 1404 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,0,0,0,0|0,0,0]=1 1405 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,1,0,0,0,0|0,0,0]=1 1406 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,1,0,0,0,0|3,0,0]=4 1407 B9R0.47 N#CCCNC(=O)C(F)F 11a_100000720768_100000210393 [0,1,0,0,0,0|3,0,0]=4 1408 B9R0.47 N#CCCNC(=O)C(F)F 1626a_100000720768_100000210393 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.47 N#CCCNC(=O)C(F)F 240690a_100000720768_100000210393 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.47 N#CCCNC(=O)C(F)F 527a_100000720768_100000210393 [0,1,0,0,0,0|3,0,0]=4 1411 B9R0.47 N#CCCNC(=O)C(O)O 240690a_100000720768_100000233687 [0,1,0,0,0,0|2,0,0]=3 1412 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,1,0,0,0,0|1,0,2]=4 1413 B9R0.47 NC(=O)C(=O)NNCCO 22a_100000210001_100011215815 [0,1,0,0,0,0|1,0,2]=4 1414 B9R0.47 O=C(CC#CCO)C(O)O 1458a_100000233687_200000047223 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|3,0,0]=4 1416 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|2,0,0]=3 1417 B9R0.47 O=C(NCCCF)C(F)F 11a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 1418 B9R0.47 O=C(NCCCF)C(F)F 1626a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 1419 B9R0.47 O=C(NCCCF)C(F)F 240690a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 1420 B9R0.47 O=C(NCCCF)C(F)F 527a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 1421 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,1,0,0,0,0|2,0,0]=3 1422 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,1,0,0,0,0|2,0,0]=3 1423 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,1,0,0,0,0|2,0,0]=3 1424 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,1,0,0,0,0|1,0,0]=2 1425 B9R0.47 O=C(NNCCO)C(F)F 22a_100000210001_100000210393 [0,1,0,0,0,0|2,0,0]=3 1426 B9R0.47 O=C(NNCCO)C(O)O 22a_100000210001_100000233687 [0,1,0,0,0,0|1,0,0]=2 1427 B9R0.51 CC(C)C(C)(C)NCCO 2230a_200160471154_100000211926 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.51 CC(C)S(=O)(=O)NCCF 270084a_100000724931_100000742656 [0,1,0,0,0,0|3,0,0]=4 1429 B9R0.51 CC(C)S(=O)(=O)NCCF 274078a_100000724931_100000742656 [0,1,0,0,0,0|3,0,0]=4 1430 B9R0.51 CC(C)S(=O)(=O)NCCO 270084a_100000210304_100000742656 [0,1,0,0,0,0|2,0,0]=3 1431 B9R0.51 CC(C)S(=O)(=O)NCCO 274078a_100000210304_100000742656 [0,1,0,0,0,0|2,0,0]=3 1432 B9R0.51 CCCNS(=O)(=O)C(C)C 270084a_100020643023_100000742656 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.51 CCCNS(=O)(=O)C(C)C 274078a_100020643023_100000742656 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.51 O=S(=O)(NCCO)C(Cl)Cl 270084a_100000210304_100000034607 [0,1,0,0,0,0|3,0,0]=4 1435 B9R0.51 O=S(=O)(NCCO)C(F)F 270084a_100000210304_100000737280 [0,1,0,0,0,0|3,0,0]=4 1436 B9R0.51 O=S(=O)(NCCO)C(F)F 274078a_100000210304_100000737280 [0,1,0,0,0,0|3,0,0]=4 1437 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,0,1,0,0|3,0,0]=4 1438 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,0,0,1,0,0|3,0,0]=4 1439 B9R1.100 C#CCCC(=O)C1CO1 1458a_100000701028_100000753159 [0,0,0,1,0,0|2,0,1]=4 1440 B9R1.100 C#CCNC(=O)C1CC1 11a_100000212058_100000210395 [0,0,0,1,0,0|2,0,1]=4 1441 B9R1.100 C#CCNC(=O)C1CC1 1626a_100000212058_100000210395 [0,0,0,1,0,0|2,0,1]=4 1442 B9R1.100 C#CCNC(=O)C1CC1 240690a_100000212058_100000210395 [0,0,0,1,0,0|2,0,1]=4 1443 B9R1.100 C#CCNC(=O)C1CC1 527a_100000212058_100000210395 [0,0,0,1,0,0|2,0,1]=4 1444 B9R1.100 C#CCNC(=O)C1CO1 11a_100000212058_100000701028 [0,0,0,1,0,0|1,0,1]=3 1445 B9R1.100 C#CCNC(=O)C1CO1 1626a_100000212058_100000701028 [0,0,0,1,0,0|1,0,1]=3 1446 B9R1.100 C#CCNC(=O)C1CO1 240690a_100000212058_100000701028 [0,0,0,1,0,0|1,0,1]=3 1447 B9R1.100 C#CCNC(=O)C1CO1 527a_100000212058_100000701028 [0,0,0,1,0,0|1,0,1]=3 1448 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [0,0,0,1,0,0|2,0,1]=4 1449 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [0,0,0,1,0,0|2,0,1]=4 1450 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [0,0,0,1,0,0|2,0,1]=4 1451 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [0,0,0,1,0,0|2,0,1]=4 1452 B9R1.100 C=CCNC(=O)C1CO1 1626a_100020586998_100000701028 [0,0,0,1,0,0|1,0,1]=3 1453 B9R1.100 C=CCNC(=O)C1CO1 240690a_100020586998_100000701028 [0,0,0,1,0,0|1,0,1]=3 1454 B9R1.100 C=CCNC(=O)C1CO1 527a_100020586998_100000701028 [0,0,0,1,0,0|1,0,1]=3 1455 B9R1.100 CC(NCCO)C1CC1 2230a_100000700016_100000211926 [0,0,0,1,0,0|2,0,1]=4 1456 B9R1.100 CC(NCCO)C1CC1 269862a_100000210304_100000210639 [0,0,0,1,0,0|2,0,1]=4 1457 B9R1.100 CC(NCCO)C1CC1 34a_100000700016_100000211926 [0,0,0,1,0,0|2,0,1]=4 1458 B9R1.100 CC(NCCO)C1CO1 270004a_100000210304_100000031964 [0,0,0,1,0,0|1,0,1]=3 1459 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,0,1,0,0|3,0,0]=4 1460 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|2,0,0]=3 1461 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,0,0,1,0,0|2,0,0]=3 1462 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,0,0,1,0,0|2,0,0]=3 1463 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,0,0,1,0,0|2,0,0]=3 1464 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,0,0,1,0,0|2,0,0]=3 1465 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,0,0,1,0,0|1,0,0]=2 1466 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,0,0,1,0,0|1,0,0]=2 1467 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,0,0,1,0,0|1,0,0]=2 1468 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,0,0,1,0,0|1,0,0]=2 1469 B9R1.100 CCCNC(C)C1CO1 270004a_100020643023_100000031964 [0,0,0,1,0,0|2,0,1]=4 1470 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,0,0,1,0,0|3,0,0]=4 1471 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,0,0,1,0,0|2,0,0]=3 1472 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,0,0,1,0,0|3,0,0]=4 1473 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,0,0,1,0,0|3,0,0]=4 1474 B9R1.100 N#CCCC(=O)C1CO1 1458a_100000701028_100011215226 [0,0,0,1,0,0|2,0,1]=4 1475 B9R1.100 N#CCNC(=O)C1CC1 1626a_100000734998_100000210395 [0,0,0,1,0,0|2,0,1]=4 1476 B9R1.100 N#CCNC(=O)C1CC1 527a_100000734998_100000210395 [0,0,0,1,0,0|2,0,1]=4 1477 B9R1.100 N#CCNC(=O)C1CO1 1626a_100000734998_100000701028 [0,0,0,1,0,0|1,0,1]=3 1478 B9R1.100 N#CCNC(=O)C1CO1 527a_100000734998_100000701028 [0,0,0,1,0,0|1,0,1]=3 1479 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,0,0,1,0,0|3,0,0]=4 1480 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,0,0,1,0,0|2,0,0]=3 1481 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,0,0,1,0,0|2,0,0]=3 1482 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,0,0,1,0,0|1,0,0]=2 1483 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 1484 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 1485 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 1486 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 1487 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,0,0,1,0,0|1,0,0]=2 1488 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,0,0,1,0,0|1,0,0]=2 1489 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,0,0,1,0,0|1,0,0]=2 1490 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,0,0,1,0,0|1,0,0]=2 1491 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,0,0,1,0,0|1,0,0]=2 1492 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,0,0,1,0,0|1,0,0]=2 1493 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,0,0,1,0,0|0,0,0]=1 1494 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,0,0,1,0,0|0,0,0]=1 1495 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,0,0,1,0,0|2,0,1]=4 1496 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,0,0,1,0,0|3,0,0]=4 1497 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,0,0,1,0,0|3,0,0]=4 1498 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,0,0,1,0,0|2,0,0]=3 1499 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,0,0,1,0,0|2,0,0]=3 1500 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,0,0,1,0,0|2,0,0]=3 1501 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,0,0,1,0,0|2,0,0]=3 1502 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,0,0,1,0,0|3,0,0]=4 1503 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,0,0,1,0,0|2,0,0]=3 1504 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,0,0,1,0,0|2,0,0]=3 1505 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,0,0,1,0,0|2,0,0]=3 1506 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 1507 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 1508 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 1509 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 1510 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,0,0,1,0,0|2,0,0]=3 1511 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,0,0,1,0,0|3,0,0]=4 1512 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,0,0,1,0,0|1,0,0]=2 1513 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,0,0,1,0,0|2,0,0]=3 1514 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,0,0,1,0,0|3,0,0]=4 1515 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,0,0,1,0,0|1,0,0]=2 1516 B9R1.110 O=C(C(F)F)N1CCC1 11a_100000754969_100000210393 [0,0,0,1,0,0|3,0,0]=4 1517 B9R1.110 O=C(C(F)F)N1CCC1 240690a_100000754969_100000210393 [0,0,0,1,0,0|3,0,0]=4 1518 B9R1.110 O=C(C(F)F)N1CCC1 527a_100000754969_100000210393 [0,0,0,1,0,0|3,0,0]=4 1519 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,0,0,1,0,0|3,0,0]=4 1520 B9R1.110 O=C(C(O)O)N1CCC1 240690a_100000754969_100000233687 [0,0,0,1,0,0|2,0,0]=3 1521 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,0,0,1,0,0|2,0,1]=4 1522 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,0,0,1,0,0|2,0,1]=4 1523 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,0,0,1,0,0|2,0,1]=4 1524 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,0|1,0,2]=4 1525 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,0,0,1,0,0|3,0,0]=4 1526 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,0,0,1,0,0|3,0,0]=4 1527 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,0,0,1,0,0|2,0,0]=3 1528 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,0,0,1,0,0|2,1,0]=4 1529 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,0,0,1,0,0|2,0,0]=3 1530 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,0,0,1,0,0|2,0,0]=3 1531 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,0,0,1,0,0|2,0,0]=3 1532 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,0,0,1,0,0|2,0,0]=3 1533 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,0,0,1,0,0|3,0,0]=4 1534 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,0,0,1,0,0|2,0,0]=3 1535 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,0,0,1,0,0|2,1,0]=4 1536 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,0,0,1,0,0|2,0,0]=3 1537 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,0,0,1,0,0|2,0,0]=3 1538 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,0,0,1,0,0|2,0,0]=3 1539 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,0,0,1,0,0|2,0,0]=3 1540 B9R1.112 CN(C)C(=O)NC1CC1 2708a_100000212008_100102631434 [0,0,0,1,0,0|3,0,0]=4 1541 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,0,0|2,0,0]=3 1542 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,0,0,1,0,0|1,0,0]=2 1543 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,0,0,1,0,0|1,1,0]=3 1544 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,0,0,1,0,0|1,0,0]=2 1545 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,0,0,1,0,0|1,0,0]=2 1546 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,0,0|2,0,0]=3 1547 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,0,0,1,0,0|1,0,0]=2 1548 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,0,0,1,0,0|1,1,0]=3 1549 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,0,0,1,0,0|1,0,0]=2 1550 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,0,0,1,0,0|1,0,0]=2 1551 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,0,0,1,0,0|1,0,0]=2 1552 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,0,0|3,0,0]=4 1553 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [0,0,0,1,0,0|2,0,0]=3 1554 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [0,0,0,1,0,0|2,1,0]=4 1555 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [0,0,0,1,0,0|2,0,0]=3 1556 B9R1.112 O=C(NC1CC1)C(F)F 1626a_100000212008_100000210393 [0,0,0,1,0,0|3,0,0]=4 1557 B9R1.112 O=C(NC1CC1)C(F)F 240690a_100000212008_100000210393 [0,0,0,1,0,0|3,0,0]=4 1558 B9R1.112 O=C(NC1CC1)C(F)F 527a_100000212008_100000210393 [0,0,0,1,0,0|3,0,0]=4 1559 B9R1.112 O=C(NC1CC1)C(O)O 240690a_100000212008_100000233687 [0,0,0,1,0,0|2,0,0]=3 1560 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,0|1,0,2]=4 1561 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,0,0,1,0,0|2,0,1]=4 1562 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,0,0,1,0,0|2,0,1]=4 1563 B9R1.135 C[C@H]1[C@H](CN1CCF)O 2230a_206633788156_100011217306 [0,0,0,1,0,0|2,0,1]=4 1564 B9R1.135 C[C@H]1[C@H](CN1CCF)O 269982a_206633788156_100011217306 [0,0,0,1,0,0|2,0,1]=4 1565 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [0,0,0,1,0,0|1,0,1]=3 1566 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [0,0,0,1,0,0|1,0,1]=3 1567 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,0,0,0,0,1|2,0,1]=4 1568 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,0,0,0,0,1|2,0,1]=4 1569 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [0,0,0,0,0,1|2,0,1]=4 1570 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [0,0,0,0,0,1|2,0,1]=4 1571 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [0,0,0,0,0,1|2,0,1]=4 1572 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [0,0,0,0,0,1|2,0,1]=4 1573 B9R0.4 C#CCNC(=O)C[C@@H](C)O 240690a_100000212058_100011933948 [0,0,0,0,0,1|1,0,1]=3 1574 B9R0.4 C#CCNC(=O)NC(C)C 2708a_100000212058_100138425928 [0,0,0,0,0,1|2,0,1]=4 1575 B9R0.4 C#CCNC(=O)NC(C)C 2708a_100138425928_100000212058 [0,0,0,0,0,1|2,0,1]=4 1576 B9R0.4 C#CCNC(=O)NC(C)C 273464a_100138425928_100000212058 [0,0,0,0,0,1|2,0,1]=4 1577 B9R0.4 C#CCNC(=O)NC(C)C 512a_100000212058_100138425928 [0,0,0,0,0,1|2,0,1]=4 1578 B9R0.4 C#CCNC(=O)NC(C)C 512a_100138425928_100000212058 [0,0,0,0,0,1|2,0,1]=4 1579 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,0,0,0,0,1|2,0,1]=4 1580 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,0,0,0,0,1|2,0,1]=4 1581 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,0,0,0,0,1|2,0,1]=4 1582 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,0,0,0,0,1|2,0,1]=4 1583 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,0,0,0,0,1|2,0,1]=4 1584 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,0,0,0,0,1|1,0,1]=3 1585 B9R0.4 C=CCNC(=O)NC(C)C 2708a_100138425928_100020586998 [0,0,0,0,0,1|2,0,1]=4 1586 B9R0.4 C=CCNC(=O)NC(C)C 273464a_100138425928_100020586998 [0,0,0,0,0,1|2,0,1]=4 1587 B9R0.4 C=CCNC(=O)NC(C)C 512a_100020586998_100138425928 [0,0,0,0,0,1|2,0,1]=4 1588 B9R0.4 C=CCNC(=O)NC(C)C 512a_100138425928_100020586998 [0,0,0,0,0,1|2,0,1]=4 1589 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,0,0,0,0,1|2,0,1]=4 1590 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,0,0,0,0,1|2,0,1]=4 1591 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,0,0,0,0,1|2,0,1]=4 1592 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,0,0,0,0,1|2,0,1]=4 1593 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,0,0,0,0,1|2,0,1]=4 1594 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,0,0,0,0,1|2,0,1]=4 1595 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,0,0,0,0,1|2,0,1]=4 1596 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,0,0,0,0,1|2,0,1]=4 1597 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,0,0,0,0,1|2,0,1]=4 1598 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,0,0,0,0,1|2,0,1]=4 1599 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,0,0,0,0,1|2,0,1]=4 1600 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,0,0,0,0,1|1,0,1]=3 1601 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,0,0,0,0,1|1,0,1]=3 1602 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [0,0,0,0,0,1|2,0,1]=4 1603 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,0,0,0,0,1|3,0,0]=4 1604 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,0,0,0,0,1|2,0,0]=3 1605 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [0,0,0,0,0,1|2,0,1]=4 1606 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [0,0,0,0,0,1|2,0,1]=4 1607 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 1608 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 1609 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 1610 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 1611 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,0,0,0,0,1|1,0,0]=2 1612 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,0,0,0,0,1|1,0,0]=2 1613 B9R0.4 CC(C)CC(C)NCCO 2230a_100000692259_100000211926 [0,0,0,0,0,1|2,0,1]=4 1614 B9R0.4 CC(C)CC(C)NCCO 2230a_100016997473_100000731052 [0,0,0,0,0,1|2,0,1]=4 1615 B9R0.4 CC(C)CC(C)NCCO 34a_100016990907_100000731052 [0,0,0,0,0,1|2,0,1]=4 1616 B9R0.4 CC(C)NC(=O)NCC#N 2708a_100000734998_100138425928 [0,0,0,0,0,1|2,0,1]=4 1617 B9R0.4 CC(C)NC(=O)NCC#N 273464a_100138425928_100000734998 [0,0,0,0,0,1|2,0,1]=4 1618 B9R0.4 CC(C)NC(=O)NCC#N 512a_100000734998_100138425928 [0,0,0,0,0,1|2,0,1]=4 1619 B9R0.4 CC(C)NC(=O)NCC#N 512a_100138425928_100000734998 [0,0,0,0,0,1|2,0,1]=4 1620 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,0,0,0,0,1|2,0,0]=3 1621 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,0,0,0,0,1|2,0,0]=3 1622 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,0,0,0,0,1|2,0,0]=3 1623 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,0,0,0,0,1|1,0,0]=2 1624 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,0,0,0,0,1|1,0,0]=2 1625 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,0,0,0,0,1|1,0,0]=2 1626 B9R0.4 CC(O)CC(=O)C#CCO 1458a_100000049017_100011218427 [0,0,0,0,0,1|1,0,1]=3 1627 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,0,0,0,0,1|2,0,1]=4 1628 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [0,0,0,0,0,1|3,0,0]=4 1629 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [0,0,0,0,0,1|3,0,0]=4 1630 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [0,0,0,0,0,1|3,0,0]=4 1631 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [0,0,0,0,0,1|3,0,0]=4 1632 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,0,0,0,0,1|2,0,1]=4 1633 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,0,0,0,0,1|2,0,1]=4 1634 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,0,0,0,0,1|3,0,0]=4 1635 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,0,0,0,0,1|3,0,0]=4 1636 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,0,0,0,0,1|2,0,0]=3 1637 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,0,0,0,0,1|2,0,0]=3 1638 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,0,0,0,0,1|3,0,0]=4 1639 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,0,0,0,0,1|3,0,0]=4 1640 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,0,0,0,0,1|3,0,0]=4 1641 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,0,0,0,0,1|3,0,0]=4 1642 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,0,0,0,0,1|2,0,1]=4 1643 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,0,0,0,0,1|2,0,1]=4 1644 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,0,0,0,0,1|2,0,1]=4 1645 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,0,0,0,0,1|2,0,1]=4 1646 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,0,0,0,0,1|2,0,1]=4 1647 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,0,0,0,0,1|2,0,1]=4 1648 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,0,0,0,0,1|2,0,1]=4 1649 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,0,0,0,0,1|2,0,1]=4 1650 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,0,0,0,0,1|1,0,2]=4 1651 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,0,0,0,0,1|2,0,0]=3 1652 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,0,0,0,0,1|2,0,0]=3 1653 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,0,0,0,0,1|2,0,0]=3 1654 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,0,0,0,0,1|2,0,0]=3 1655 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,0,0,0,0,1|3,0,0]=4 1656 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1657 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,0,0,0,0,1|3,0,0]=4 1658 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,0,0,0,0,1|3,0,0]=4 1659 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1660 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,0,0,0,0,1|3,0,0]=4 1661 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,0,0,0,0,1|3,0,0]=4 1662 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1663 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1664 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,0,0,0,0,1|1,0,0]=2 1665 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 1666 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 1667 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 1668 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 1669 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,0,0,0,0,1|2,0,0]=3 1670 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,0,0,0,0,1|2,0,0]=3 1671 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,0,0,0,0,1|2,0,0]=3 1672 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,0,0,0,0,1|2,0,0]=3 1673 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,0,0,0,0,1|2,0,0]=3 1674 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,0,0,0,0,1|3,0,0]=4 1675 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,0,0,0,0,1|2,0,0]=3 1676 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,0,0,0,0,1|3,0,0]=4 1677 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,0,0,0,0,1|3,0,0]=4 1678 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,0,0,0,0,1|3,0,0]=4 1679 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,0,0,0,0,1|3,0,0]=4 1680 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,0,0,0,0,1|3,0,0]=4 1681 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,0,0,0,0,1|3,0,0]=4 1682 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,0,0,0,0,1|3,0,0]=4 1683 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,0,0,0,0,1|3,0,0]=4 1684 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,0,0,0,0,1|3,0,0]=4 1685 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,0,0,0,0,1|2,0,0]=3 1686 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,0,0,0,0,1|2,0,0]=3 1687 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,0,0,0,0,1|3,0,0]=4 1688 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,0,0,0,0,1|3,0,0]=4 1689 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,0,0,0,0,1|3,0,0]=4 1690 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,0,0,0,0,1|3,0,0]=4 1691 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,0,0,0,0,1|2,0,1]=4 1692 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,0,0,0,0,1|2,0,0]=3 1693 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,0,0,0,0,1|1,0,0]=2 1694 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,0,0,0,0,1|1,0,0]=2 1695 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,0,0,0,0,1|0,0,0]=1 1696 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [0,0,0,0,0,1|3,0,0]=4 1697 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [0,0,0,0,0,1|3,0,0]=4 1698 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,0,0,0,0,1|3,0,0]=4 1699 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 1700 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 1701 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 1702 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 1703 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,0,0,0,0,1|2,0,0]=3 1704 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,0,0,0,0,1|2,0,0]=3 1705 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,0,0,0,0,1|1,0,2]=4 1706 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,0,0,0,0,1|1,0,2]=4 1707 B9R0.4 O=C(C=C(Cl)Cl)NCCO 240690a_100000210304_100000137448 [0,0,0,0,0,1|2,0,1]=4 1708 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [2,0,0,0,0,0|0,0,2]=4 1709 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|1,0,1]=4 1710 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|1,0,1]=4 1711 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [2,0,0,0,0,0|1,0,1]=4 1712 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|0,0,2]=4 1713 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|0,0,2]=4 1714 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|1,0,1]=4 1715 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|1,0,1]=4 1716 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [2,0,0,0,0,0|1,0,1]=4 1717 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|1,0,1]=4 1718 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|1,0,1]=4 1719 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 1720 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 1721 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 1722 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|0,0,0]=2 1723 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|0,0,0]=2 1724 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|2,0,0]=4 1725 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|2,0,0]=4 1726 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|2,0,0]=4 1727 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|2,0,0]=4 1728 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|2,0,0]=4 1729 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|2,0,0]=4 1730 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|2,0,0]=4 1731 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|2,0,0]=4 1732 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|2,0,0]=4 1733 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|1,0,0]=3 1734 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,0]=3 1735 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,0]=3 1736 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|2,0,0]=4 1737 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 1738 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|2,0,0]=4 1739 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 1740 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 1741 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 1742 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [2,0,0,0,0,0|2,0,0]=4 1743 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [2,0,0,0,0,0|2,0,0]=4 1744 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [2,0,0,0,0,0|2,0,0]=4 1745 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [2,0,0,0,0,0|2,0,0]=4 1746 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [2,0,0,0,0,0|2,0,0]=4 1747 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [2,0,0,0,0,0|2,0,0]=4 1748 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [2,0,0,0,0,0|2,0,0]=4 1749 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [2,0,0,0,0,0|2,0,0]=4 1750 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|0,0,0]=2 1751 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|0,0,0]=2 1752 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|0,0,0]=2 1753 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|0,0,0]=2 1754 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|0,0,0]=2 1755 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|1,0,0]=3 1756 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|1,0,0]=3 1757 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|1,0,0]=3 1758 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|1,0,0]=3 1759 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|1,0,0]=3 1760 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|1,0,0]=3 1761 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [2,0,0,0,0,0|1,0,1]=4 1762 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [2,0,0,0,0,0|1,0,1]=4 1763 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [2,0,0,0,0,0|1,0,1]=4 1764 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [2,0,0,0,0,0|1,0,1]=4 1765 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|1,0,0]=3 1766 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [2,0,0,0,0,0|1,0,0]=3 1767 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [2,0,0,0,0,0|2,0,0]=4 1768 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [2,0,0,0,0,0|2,0,0]=4 1769 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [2,0,0,0,0,0|2,0,0]=4 1770 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [2,0,0,0,0,0|1,0,1]=4 1771 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|1,0,0]=3 1772 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|1,0,0]=3 1773 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|0,0,0]=2 1774 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [2,0,0,0,0,0|1,0,1]=4 1775 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [2,0,0,0,0,0|1,0,1]=4 1776 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [2,0,0,0,0,0|1,0,1]=4 1777 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [2,0,0,0,0,0|1,0,1]=4 1778 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|1,0,1]=4 1779 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|1,0,1]=4 1780 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|1,0,1]=4 1781 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [2,0,0,0,0,0|1,0,1]=4 1782 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 1783 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 1784 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [2,0,0,0,0,0|1,0,1]=4 1785 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [2,0,0,0,0,0|1,0,1]=4 1786 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|1,0,0]=3 1787 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|1,0,0]=3 1788 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|1,0,0]=3 1789 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|1,0,0]=3 1790 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|0,0,0]=2 1791 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|0,0,0]=2 1792 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [2,0,0,0,0,0|2,0,0]=4 1793 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [2,0,0,0,0,0|2,0,0]=4 1794 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [2,0,0,0,0,0|2,0,0]=4 1795 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [2,0,0,0,0,0|1,0,0]=3 1796 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [2,0,0,0,0,0|1,0,0]=3 1797 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [2,0,0,0,0,0|1,0,0]=3 1798 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [2,0,0,0,0,0|1,0,0]=3 1799 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [2,0,0,0,0,0|2,0,0]=4 1800 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [2,0,0,0,0,0|2,0,0]=4 1801 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [2,0,0,0,0,0|2,0,0]=4 1802 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [2,0,0,0,0,0|1,0,1]=4 1803 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|2,0,0]=4 1804 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|2,0,0]=4 1805 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|2,0,0]=4 1806 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 1807 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 1808 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 1809 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 1810 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 1811 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 1812 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 1813 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,1]=4 1814 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,1]=4 1815 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 1816 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|0,0,1]=3 1817 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|0,0,1]=3 1818 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|0,0,1]=3 1819 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|0,0,1]=3 1820 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 1821 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,1]=4 1822 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,1]=4 1823 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|1,0,1]=4 1824 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|1,0,1]=4 1825 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|1,0,1]=4 1826 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|1,0,1]=4 1827 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [2,0,0,0,0,0|1,0,1]=4 1828 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [2,0,0,0,0,0|1,0,1]=4 1829 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|1,0,1]=4 1830 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|0,0,1]=3 1831 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|0,0,1]=3 1832 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 1833 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 1834 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 1835 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|2,0,0]=4 1836 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|2,0,0]=4 1837 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|2,0,0]=4 1838 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|2,0,0]=4 1839 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|1,0,1]=4 1840 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|1,0,1]=4 1841 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|1,0,1]=4 1842 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|1,0,1]=4 1843 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|1,0,1]=4 1844 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|1,0,1]=4 1845 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|0,0,1]=3 1846 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|0,0,1]=3 1847 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|1,0,1]=4 1848 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|1,0,1]=4 1849 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [2,0,0,0,0,0|1,0,1]=4 1850 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [2,0,0,0,0,0|1,0,1]=4 1851 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [2,0,0,0,0,0|2,0,0]=4 1852 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [2,0,0,0,0,0|1,0,0]=3 1853 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [2,0,0,0,0,0|2,0,0]=4 1854 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [2,0,0,0,0,0|1,0,0]=3 1855 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [2,0,0,0,0,0|1,0,0]=3 1856 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [2,0,0,0,0,0|1,0,0]=3 1857 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|1,0,0]=3 1858 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 1859 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 1860 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 1861 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 1862 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|0,0,0]=2 1863 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|0,0,0]=2 1864 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [2,0,0,0,0,0|2,0,0]=4 1865 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [2,0,0,0,0,0|2,0,0]=4 1866 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [2,0,0,0,0,0|0,0,2]=4 1867 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [2,0,0,0,0,0|0,0,2]=4 1868 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [2,0,0,0,0,0|1,0,0]=3 1869 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 1870 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 1871 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 1872 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [2,0,0,0,0,0|1,0,0]=3 1873 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [2,0,0,0,0,0|1,0,0]=3 1874 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [2,0,0,0,0,0|1,0,0]=3 1875 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [2,0,0,0,0,0|1,0,0]=3 1876 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [2,0,0,0,0,0|2,0,0]=4 1877 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [2,0,0,0,0,0|2,0,0]=4 1878 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [2,0,0,0,0,0|2,0,0]=4 1879 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [2,0,0,0,0,0|2,0,0]=4 1880 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [2,0,0,0,0,0|1,0,0]=3 1881 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [2,0,0,0,0,0|2,0,0]=4 1882 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [2,0,0,0,0,0|0,0,0]=2 1883 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [2,0,0,0,0,0|0,0,0]=2 1884 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [2,0,0,0,0,0|0,0,0]=2 1885 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [2,0,0,0,0,0|1,0,0]=3 1886 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [2,0,0,0,0,0|1,0,0]=3 1887 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [2,0,0,0,0,0|2,0,0]=4 1888 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [1,1,0,0,0,0|1,0,1]=4 1889 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [1,1,0,0,0,0|1,0,1]=4 1890 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [1,1,0,0,0,0|1,0,1]=4 1891 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [1,1,0,0,0,0|1,0,1]=4 1892 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [1,1,0,0,0,0|1,0,1]=4 1893 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [1,1,0,0,0,0|0,0,1]=3 1894 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 1895 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 1896 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 1897 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [1,1,0,0,0,0|1,0,1]=4 1898 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [1,1,0,0,0,0|1,0,1]=4 1899 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [1,1,0,0,0,0|1,0,1]=4 1900 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [1,1,0,0,0,0|1,0,1]=4 1901 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [1,1,0,0,0,0|1,0,1]=4 1902 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [1,1,0,0,0,0|1,0,1]=4 1903 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [1,1,0,0,0,0|1,0,1]=4 1904 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [1,1,0,0,0,0|1,0,1]=4 1905 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [1,1,0,0,0,0|1,0,1]=4 1906 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [1,1,0,0,0,0|1,0,1]=4 1907 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [1,1,0,0,0,0|1,0,1]=4 1908 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [1,1,0,0,0,0|1,0,1]=4 1909 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [1,1,0,0,0,0|1,0,1]=4 1910 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [1,1,0,0,0,0|1,0,1]=4 1911 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [1,1,0,0,0,0|1,0,1]=4 1912 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [1,1,0,0,0,0|1,0,1]=4 1913 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [1,1,0,0,0,0|1,0,1]=4 1914 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [1,1,0,0,0,0|1,0,1]=4 1915 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [1,1,0,0,0,0|1,0,1]=4 1916 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [1,1,0,0,0,0|1,0,1]=4 1917 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,1,0,0,0,0|1,0,1]=4 1918 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 1919 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 1920 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 1921 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 1922 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 1923 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 1924 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 1925 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 1926 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [1,1,0,0,0,0|0,0,1]=3 1927 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [1,1,0,0,0,0|0,0,1]=3 1928 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 1929 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 1930 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 1931 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [1,1,0,0,0,0|1,0,1]=4 1932 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [1,1,0,0,0,0|1,0,1]=4 1933 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [1,1,0,0,0,0|1,0,1]=4 1934 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [1,1,0,0,0,0|1,0,1]=4 1935 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [1,1,0,0,0,0|1,0,1]=4 1936 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [1,1,0,0,0,0|1,0,1]=4 1937 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [1,1,0,0,0,0|1,0,1]=4 1938 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [1,1,0,0,0,0|1,0,1]=4 1939 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [1,1,0,0,0,0|1,0,1]=4 1940 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [1,1,0,0,0,0|1,0,1]=4 1941 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [1,1,0,0,0,0|1,0,1]=4 1942 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [1,1,0,0,0,0|1,0,1]=4 1943 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [1,1,0,0,0,0|1,0,1]=4 1944 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [1,1,0,0,0,0|1,0,1]=4 1945 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [1,1,0,0,0,0|1,0,1]=4 1946 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [1,1,0,0,0,0|1,0,1]=4 1947 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [1,1,0,0,0,0|1,0,1]=4 1948 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [1,1,0,0,0,0|1,0,1]=4 1949 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,1,0,0,0,0|1,0,1]=4 1950 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [1,1,0,0,0,0|1,0,1]=4 1951 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [1,1,0,0,0,0|1,0,1]=4 1952 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,1]=4 1953 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 1954 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 1955 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 1956 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [1,1,0,0,0,0|1,0,1]=4 1957 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [1,1,0,0,0,0|1,0,1]=4 1958 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [1,1,0,0,0,0|1,0,1]=4 1959 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [1,1,0,0,0,0|0,0,1]=3 1960 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [1,1,0,0,0,0|1,0,1]=4 1961 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|2,0,0]=4 1962 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,0]=3 1963 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [1,1,0,0,0,0|1,0,1]=4 1964 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [1,1,0,0,0,0|1,0,1]=4 1965 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 1966 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 1967 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 1968 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,1,0,0,0,0|1,0,0]=3 1969 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|0,0,0]=2 1970 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|0,0,0]=2 1971 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,1,0,0,0,0|2,0,0]=4 1972 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|1,0,1]=4 1973 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|1,0,1]=4 1974 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|1,0,1]=4 1975 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|1,0,1]=4 1976 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|2,0,0]=4 1977 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|2,0,0]=4 1978 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|2,0,0]=4 1979 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|2,0,0]=4 1980 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|2,0,0]=4 1981 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|2,0,0]=4 1982 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|2,0,0]=4 1983 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|2,0,0]=4 1984 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|2,0,0]=4 1985 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|2,0,0]=4 1986 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [1,1,0,0,0,0|1,0,1]=4 1987 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [1,1,0,0,0,0|1,0,1]=4 1988 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 1989 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 1990 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 1991 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 1992 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,0]=3 1993 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,1,0,0,0,0|1,0,0]=3 1994 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,1,0,0,0,0|1,0,0]=3 1995 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,1,0,0,0,0|1,0,0]=3 1996 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,1,0,0,0,0|1,0,0]=3 1997 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,1,0,0,0,0|1,0,0]=3 1998 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 1999 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 2000 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 2001 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|1,0,0]=3 2002 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 2003 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 2004 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 2005 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 2006 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 2007 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,1,0,0,0,0|1,0,0]=3 2008 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,1,0,0,0,0|1,0,0]=3 2009 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,1,0,0,0,0|1,0,0]=3 2010 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,1,0,0,0,0|1,0,0]=3 2011 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 2012 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 2013 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 2014 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 2015 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 2016 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 2017 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 2018 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,1,0,0,0,0|2,0,0]=4 2019 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 2020 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|2,0,0]=4 2021 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|2,0,0]=4 2022 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|2,0,0]=4 2023 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|2,0,0]=4 2024 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|2,0,0]=4 2025 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|2,0,0]=4 2027 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|2,0,0]=4 2028 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [1,1,0,0,0,0|1,0,1]=4 2029 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [1,1,0,0,0,0|1,0,1]=4 2030 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [1,1,0,0,0,0|1,0,1]=4 2031 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [1,1,0,0,0,0|1,0,1]=4 2032 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [1,1,0,0,0,0|1,0,1]=4 2033 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,1,0,0,0,0|1,0,0]=3 2034 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,1,0,0,0,0|1,0,0]=3 2035 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,1,0,0,0,0|1,0,0]=3 2036 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,1,0,0,0,0|1,0,0]=3 2037 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,1,0,0,0,0|0,0,0]=2 2038 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,1,0,0,0,0|0,0,0]=2 2039 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,1,0,0,0,0|0,0,0]=2 2040 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,1,0,0,0,0|0,0,0]=2 2041 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [1,1,0,0,0,0|2,0,0]=4 2042 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,1,0,0,0,0|2,0,0]=4 2043 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,1,0,0,0,0|2,0,0]=4 2044 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 2045 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,1,0,0,0,0|2,0,0]=4 2046 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 2047 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [1,1,0,0,0,0|1,0,1]=4 2048 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [1,1,0,0,0,0|1,0,1]=4 2049 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,1,0,0,0,0|1,0,0]=3 2050 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [1,1,0,0,0,0|2,0,0]=4 2051 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [1,1,0,0,0,0|2,0,0]=4 2052 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [1,1,0,0,0,0|1,0,0]=3 2053 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [1,1,0,0,0,0|1,0,0]=3 2054 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|2,0,0]=4 2055 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,0]=3 2056 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [1,1,0,0,0,0|1,0,1]=4 2057 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [1,1,0,0,0,0|1,0,1]=4 2058 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,1,0,0,0,0|1,0,0]=3 2059 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,1,0,0,0,0|1,0,0]=3 2060 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,1,0,0,0,0|1,0,0]=3 2061 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,1,0,0,0,0|1,0,0]=3 2062 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,1,0,0,0,0|0,0,0]=2 2063 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,1,0,0,0,0|0,0,0]=2 2064 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [1,1,0,0,0,0|1,0,1]=4 2065 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [1,1,0,0,0,0|1,0,1]=4 2066 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [1,1,0,0,0,0|1,0,1]=4 2067 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [1,1,0,0,0,0|1,0,1]=4 2068 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,1,0,0,0,0|2,0,0]=4 2069 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|1,0,0]=3 2070 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [1,1,0,0,0,0|1,0,1]=4 2071 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [1,1,0,0,0,0|1,0,1]=4 2072 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [1,1,0,0,0,0|1,0,1]=4 2073 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [1,1,0,0,0,0|1,0,1]=4 2074 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,1,0,0,0,0|1,0,0]=3 2075 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,1,0,0,0,0|1,0,0]=3 2076 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,1,0,0,0,0|1,0,0]=3 2077 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,1,0,0,0,0|1,0,0]=3 2078 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,1,0,0,0,0|0,0,0]=2 2079 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,1,0,0,0,0|0,0,0]=2 2080 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [1,1,0,0,0,0|1,0,1]=4 2081 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 2082 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 2083 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [1,1,0,0,0,0|1,0,1]=4 2084 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [1,1,0,0,0,0|1,0,1]=4 2085 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [1,1,0,0,0,0|1,0,1]=4 2086 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [1,1,0,0,0,0|0,0,1]=3 2087 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [1,1,0,0,0,0|1,0,1]=4 2088 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [1,1,0,0,0,0|1,0,1]=4 2089 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [1,1,0,0,0,0|0,0,2]=4 2090 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [1,1,0,0,0,0|0,0,2]=4 2091 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|2,0,0]=4 2092 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,0]=3 2093 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [1,1,0,0,0,0|1,0,0]=3 2094 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [1,1,0,0,0,0|0,0,0]=2 2095 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,1,0,0,0,0|1,0,0]=3 2096 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [1,1,0,0,0,0|1,0,1]=4 2097 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [1,1,0,0,0,0|1,0,1]=4 2098 B8R0.3 C#CCN(C)C(=O)CC 11a_100000225692_100000210414 [1,1,0,0,0,0|1,0,1]=4 2099 B8R0.3 C#CCN(C)C(=O)CC 1626a_100000225692_100000210414 [1,1,0,0,0,0|1,0,1]=4 2100 B8R0.3 C#CCN(C)C(=O)CC 527a_100000225692_100000210414 [1,1,0,0,0,0|1,0,1]=4 2101 B8R0.3 C#CCN(C)C(=O)CO 527a_100000225692_100000210174 [1,1,0,0,0,0|1,0,1]=4 2102 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [1,1,0,0,0,0|0,0,2]=4 2103 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [1,1,0,0,0,0|1,0,1]=4 2104 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [1,1,0,0,0,0|1,0,1]=4 2105 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [1,1,0,0,0,0|1,0,1]=4 2106 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [1,1,0,0,0,0|1,0,1]=4 2107 B8R0.3 C=CCN(C)C(=O)CO 240690a_100000225617_100000210174 [1,1,0,0,0,0|1,0,1]=4 2108 B8R0.3 C=CCN(C)C(=O)CO 527a_100000225617_100000210174 [1,1,0,0,0,0|1,0,1]=4 2109 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|1,0,0]=3 2110 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [1,1,0,0,0,0|1,0,1]=4 2111 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [1,1,0,0,0,0|1,0,1]=4 2112 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [1,1,0,0,0,0|1,0,1]=4 2113 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,0]=3 2114 B8R0.3 CCC(=O)N(C)CC#N 11a_100000748184_100000210414 [1,1,0,0,0,0|1,0,1]=4 2115 B8R0.3 CCC(=O)N(C)CC#N 1626a_100000748184_100000210414 [1,1,0,0,0,0|1,0,1]=4 2116 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [1,1,0,0,0,0|0,0,0]=2 2117 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [1,1,0,0,0,0|0,0,0]=2 2118 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [1,1,0,0,0,0|1,0,1]=4 2119 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [1,1,0,0,0,0|1,0,1]=4 2120 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [1,1,0,0,0,0|1,0,1]=4 2121 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [1,1,0,0,0,0|1,0,1]=4 2122 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|2,0,0]=4 2123 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|2,0,0]=4 2124 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|2,0,0]=4 2125 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 2126 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 2127 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 2128 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 2129 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|1,0,0]=3 2130 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|1,0,0]=3 2131 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 2132 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 2133 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|2,0,0]=4 2134 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [1,1,0,0,0,0|0,0,0]=2 2135 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [1,1,0,0,0,0|0,0,0]=2 2136 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,1,0,0,0,0|2,0,0]=4 2137 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [1,1,0,0,0,0|1,0,0]=3 2138 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [1,1,0,0,0,0|1,0,0]=3 2139 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [1,1,0,0,0,0|1,0,1]=4 2140 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,1,0,0,0,0|2,0,0]=4 2141 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,1,0,0,0,0|2,0,0]=4 2142 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,1,0,0,0,0|2,0,0]=4 2143 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,1,0,0,0,0|1,0,0]=3 2144 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,1,0,0,0,0|1,0,0]=3 2145 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,1,0,0,0,0|1,0,0]=3 2146 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,1,0,0,0,0|1,0,0]=3 2147 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [1,1,0,0,0,0|1,0,0]=3 2148 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [1,1,0,0,0,0|1,0,0]=3 2149 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [1,1,0,0,0,0|2,0,0]=4 2150 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [1,1,0,0,0,0|2,0,0]=4 2151 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [1,1,0,0,0,0|2,0,0]=4 2152 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [1,1,0,0,0,0|2,0,0]=4 2153 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [1,1,0,0,0,0|2,0,0]=4 2154 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [1,1,0,0,0,0|2,0,0]=4 2155 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [1,1,0,0,0,0|0,0,2]=4 2156 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [1,1,0,0,0,0|0,0,2]=4 2157 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [1,1,0,0,0,0|0,0,2]=4 2158 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [1,1,0,0,0,0|0,0,2]=4 2159 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [1,1,0,0,0,0|0,0,2]=4 2160 B8R0.6 C=CC(=O)NNCCO 22a_100000210001_100000185746 [1,1,0,0,0,0|0,0,2]=4 2161 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|2,0,0]=4 2162 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|2,0,0]=4 2163 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,1,0,0,0,0|2,0,0]=4 2164 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,1,0,0,0,0|1,0,0]=3 2165 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,1,0,0,0,0|1,0,0]=3 2166 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,1,0,0,0,0|1,0,0]=3 2167 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,1,0,0,0,0|1,0,0]=3 2168 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [1,1,0,0,0,0|1,0,0]=3 2169 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [1,1,0,0,0,0|1,0,0]=3 2170 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [1,1,0,0,0,0|2,0,0]=4 2171 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [1,1,0,0,0,0|2,0,0]=4 2172 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [1,1,0,0,0,0|2,0,0]=4 2173 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [1,1,0,0,0,0|2,0,0]=4 2174 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [1,1,0,0,0,0|2,0,0]=4 2175 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [1,1,0,0,0,0|2,0,0]=4 2176 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [1,1,0,0,0,0|1,0,1]=4 2177 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [1,1,0,0,0,0|1,0,1]=4 2178 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [1,1,0,0,0,0|1,0,1]=4 2179 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [1,1,0,0,0,0|1,0,1]=4 2180 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [1,1,0,0,0,0|1,0,1]=4 2181 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [1,1,0,0,0,0|1,0,1]=4 2182 B8R0.6 CC(=NNCCO)CF 4a_100000210001_100000039719 [1,1,0,0,0,0|2,0,0]=4 2183 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [1,1,0,0,0,0|1,0,0]=3 2184 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|1,0,1]=4 2185 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,1,0,0,0,0|1,0,1]=4 2186 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [1,1,0,0,0,0|1,0,1]=4 2187 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,1,0,0,0,0|2,0,0]=4 2188 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,1,0,0,0,0|2,0,0]=4 2189 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|2,0,0]=4 2190 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|1,0,0]=3 2191 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|1,0,0]=3 2192 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,0]=3 2193 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,0]=3 2194 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,1,0]=4 2195 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,1,0,0,0,0|2,0,0]=4 2196 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,0]=3 2197 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,0]=3 2198 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,1,0,0,0,0|2,0,0]=4 2199 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,1,0,0,0,0|2,0,0]=4 2200 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,1,0,0,0,0|1,0,0]=3 2201 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,1,0,0,0,0|1,0,0]=3 2202 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,1,0,0,0,0|2,0,0]=4 2203 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,1,0,0,0,0|2,0,0]=4 2204 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,1,0,0,0,0|1,0,0]=3 2205 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,1,0,0,0,0|1,0,0]=3 2206 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,1,0,0,0,0|1,0,0]=3 2207 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,1,0,0,0,0|1,0,0]=3 2208 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 2209 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 2210 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 2211 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 2212 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|0,0,0]=2 2213 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|0,0,0]=2 2214 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,1,0,0,0,0|1,0,0]=3 2215 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,1,0,0,0,0|1,0,0]=3 2216 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,1,0,0,0,0|0,0,0]=2 2217 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,1,0,0,0,0|0,0,0]=2 2218 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,1,0,0,0,0|0,0,0]=2 2219 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,1,0,0,0,0|0,0,0]=2 2220 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,1,0,0,0,0|0,0,0]=2 2221 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,1,0,0,0,0|0,0,0]=2 2222 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,1,0,0,0,0|0,0,0]=2 2223 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|0,1,0]=3 2224 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|0,1,0]=3 2225 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|0,1,0]=3 2226 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|0,1,0]=3 2227 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [1,1,0,0,0,0|0,0,0]=2 2228 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|1,0,0]=3 2229 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|1,0,0]=3 2230 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,1]=4 2231 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,1]=4 2232 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,1]=4 2233 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,1]=4 2234 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,1]=4 2235 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [1,1,0,0,0,0|1,0,1]=4 2236 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [1,1,0,0,0,0|1,0,1]=4 2237 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|0,0,2]=4 2238 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|0,0,2]=4 2239 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|0,0,2]=4 2240 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,1,0,0,0,0|1,0,1]=4 2241 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,1,0,0,0,0|2,0,0]=4 2242 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|2,0,0]=4 2243 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|2,0,0]=4 2244 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|2,0,0]=4 2245 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|2,0,0]=4 2246 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2247 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2248 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2249 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2250 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 2251 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 2252 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|2,0,0]=4 2253 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 2254 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 2255 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 2256 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 2257 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|2,0,0]=4 2258 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|2,0,0]=4 2259 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [1,1,0,0,0,0|2,0,0]=4 2260 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,1,0,0,0,0|1,0,0]=3 2261 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,1,0,0,0,0|1,0,0]=3 2262 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,1,0,0,0,0|2,0,0]=4 2263 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,1,0,0,0,0|2,0,0]=4 2264 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,1,0,0,0,0|2,0,0]=4 2265 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|2,0,0]=4 2266 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|2,0,0]=4 2267 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|2,0,0]=4 2268 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|2,0,0]=4 2269 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|2,0,0]=4 2270 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|2,0,0]=4 2271 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|2,0,0]=4 2272 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|2,0,0]=4 2273 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|2,0,0]=4 2274 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|2,0,0]=4 2275 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|2,0,0]=4 2276 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,1]=4 2277 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,1]=4 2278 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|2,0,0]=4 2279 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|2,0,0]=4 2280 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2281 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2282 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|2,0,0]=4 2283 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2284 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [1,1,0,0,0,0|2,0,0]=4 2285 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [1,1,0,0,0,0|2,0,0]=4 2286 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [1,1,0,0,0,0|1,0,0]=3 2287 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [1,1,0,0,0,0|1,0,0]=3 2288 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [1,1,0,0,0,0|1,0,0]=3 2289 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [1,1,0,0,0,0|2,0,0]=4 2290 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [1,1,0,0,0,0|2,0,0]=4 2291 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [1,1,0,0,0,0|2,0,0]=4 2292 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [1,1,0,0,0,0|2,0,0]=4 2293 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [1,1,0,0,0,0|2,0,0]=4 2294 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [1,1,0,0,0,0|2,0,0]=4 2295 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [1,1,0,0,0,0|2,0,0]=4 2296 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [1,1,0,0,0,0|2,0,0]=4 2297 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [1,1,0,0,0,0|2,0,0]=4 2298 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [1,1,0,0,0,0|2,0,0]=4 2299 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [1,1,0,0,0,0|2,0,0]=4 2300 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,1,0,0,0,0|2,0,0]=4 2301 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 2302 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 2303 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 2304 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 2305 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,1,0,0,0,0|2,0,0]=4 2306 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,1,0,0,0,0|1,0,0]=3 2307 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,1,0,0,0,0|1,0,0]=3 2308 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,1,0,0,0,0|1,0,0]=3 2309 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,1,0,0,0,0|1,0,0]=3 2310 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,1,0,0,0,0|2,0,0]=4 2311 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,1,0,0,0,0|1,0,0]=3 2312 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,1,0,0,0,0|1,0,0]=3 2313 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,1,0,0,0,0|1,0,0]=3 2314 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,1,0,0,0,0|1,1,0]=4 2315 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,1,0,0,0,0|1,1,0]=4 2316 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,1,0,0,0,0|1,1,0]=4 2317 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,1,0,0,0,0|1,1,0]=4 2318 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,1,0,0,0,0|1,1,0]=4 2319 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,1,0,0,0,0|1,1,0]=4 2320 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [1,1,0,0,0,0|1,0,0]=3 2321 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [1,1,0,0,0,0|1,0,0]=3 2322 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|2,0,0]=4 2323 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,1,0,0,0,0|2,0,0]=4 2324 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,1,0,0,0,0|2,0,0]=4 2325 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,1,0,0,0,0|1,0,0]=3 2326 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,1,0,0,0,0|1,0,0]=3 2327 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,1,0,0,0,0|2,0,0]=4 2328 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,1,0,0,0,0|2,0,0]=4 2329 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|1,0,0]=3 2330 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|2,0,0]=4 2331 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|2,0,0]=4 2332 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,0]=3 2333 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|2,0,0]=4 2334 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|0,0,0]=2 2335 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|0,0,0]=2 2336 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|1,0,0]=3 2337 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [1,1,0,0,0,0|1,0,1]=4 2338 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [1,1,0,0,0,0|1,0,1]=4 2339 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|2,0,0]=4 2340 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,1,0,0,0,0|0,1,0]=3 2341 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,1,0,0,0,0|0,1,0]=3 2342 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,1,0,0,0,0|1,0,1]=4 2343 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,1,0,0,0,0|1,0,1]=4 2344 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,1,0,0,0,0|2,0,0]=4 2346 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [1,1,0,0,0,0|1,0,0]=3 2347 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [1,1,0,0,0,0|1,0,0]=3 2348 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|2,0,0]=4 2349 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [1,1,0,0,0,0|2,0,0]=4 2350 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [1,1,0,0,0,0|1,0,1]=4 2351 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|2,0,0]=4 2352 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,0]=3 2353 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,1,0,0,0,0|1,0,0]=3 2354 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,1,0,0,0,0|1,0,0]=3 2355 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|0,0,0]=2 2356 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|0,0,0]=2 2357 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [1,1,0,0,0,0|0,0,0]=2 2358 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,1,0,0,0,0|0,0,2]=4 2359 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,1,0,0,0,0|0,0,2]=4 2360 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,1,0,0,0,0|1,0,1]=4 2361 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,1,0,0,0,0|0,0,2]=4 2362 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,1,0,0,0,0|0,0,2]=4 2363 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,1,0,0,0,0|0,0,2]=4 2364 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 2365 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 2366 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 2367 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [1,1,0,0,0,0|1,0,1]=4 2370 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [1,1,0,0,0,0|0,0,2]=4 2371 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|2,0,0]=4 2372 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|1,0,0]=3 2373 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|1,0,0]=3 2374 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [1,1,0,0,0,0|2,0,0]=4 2375 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,0]=3 2376 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|0,0,0]=2 2377 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|0,0,0]=2 2378 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [1,1,0,0,0,0|1,0,1]=4 2379 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [1,1,0,0,0,0|1,0,1]=4 2380 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [1,1,0,0,0,0|1,0,1]=4 2381 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|2,0,0]=4 2382 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|2,0,0]=4 2383 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|1,0,0]=3 2384 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|0,0,2]=4 2385 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,1,0,0,0,0|0,0,2]=4 2386 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,1,0,0,0,0|0,0,2]=4 2387 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,1,0,0,0,0|0,0,2]=4 2388 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|0,0,2]=4 2389 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 2390 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 2391 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 2392 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 2393 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|0,0,0]=2 2394 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|0,0,0]=2 2395 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|0,0,0]=2 2396 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [1,1,0,0,0,0|1,0,0]=3 2397 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [1,1,0,0,0,0|1,0,0]=3 2398 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [1,1,0,0,0,0|1,0,0]=3 2399 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [1,1,0,0,0,0|1,0,0]=3 2400 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [1,1,0,0,0,0|2,0,0]=4 2401 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,1,0,0,0,0|1,0,1]=4 2402 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,1,0,0,0,0|1,0,1]=4 2403 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,1,0,0,0,0|1,0,1]=4 2404 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,1,0,0,0,0|1,0,1]=4 2405 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|2,0,0]=4 2406 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 2407 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 2408 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 2409 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 2410 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 2411 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 2412 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|1,0,0]=3 2413 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|1,0,0]=3 2414 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|1,0,0]=3 2415 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|1,0,0]=3 2416 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|1,0,0]=3 2417 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [1,1,0,0,0,0|2,0,0]=4 2418 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [1,1,0,0,0,0|2,0,0]=4 2419 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [1,1,0,0,0,0|2,0,0]=4 2420 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [1,1,0,0,0,0|2,0,0]=4 2421 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [1,1,0,0,0,0|2,0,0]=4 2422 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [1,1,0,0,0,0|1,0,1]=4 2423 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [1,1,0,0,0,0|0,0,2]=4 2424 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [1,1,0,0,0,0|0,0,2]=4 2425 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [1,1,0,0,0,0|1,0,0]=3 2426 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [1,1,0,0,0,0|1,0,0]=3 2427 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [1,1,0,0,0,0|1,0,1]=4 2428 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [1,1,0,0,0,0|1,0,1]=4 2429 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [1,1,0,0,0,0|1,0,1]=4 2430 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [1,1,0,0,0,0|1,0,1]=4 2431 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [1,1,0,0,0,0|0,0,2]=4 2432 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [1,1,0,0,0,0|0,0,2]=4 2433 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2434 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2436 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 2437 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [1,1,0,0,0,0|1,0,1]=4 2438 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [1,1,0,0,0,0|1,0,1]=4 2439 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [1,1,0,0,0,0|0,0,2]=4 2440 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [1,1,0,0,0,0|1,0,1]=4 2441 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [1,1,0,0,0,0|1,0,1]=4 2442 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|1,0,1]=4 2443 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|2,0,0]=4 2444 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|2,0,0]=4 2445 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|2,0,0]=4 2446 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|2,0,0]=4 2447 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|2,0,0]=4 2448 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,0]=3 2449 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 2450 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 2451 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 2452 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2453 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2454 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2455 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 2456 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2457 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2458 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2459 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|1,0,0]=3 2460 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|0,0,0]=2 2461 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|0,0,0]=2 2462 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|2,0,0]=4 2463 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|1,0,0]=3 2464 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|1,0,0]=3 2465 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 2466 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 2467 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 2468 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 2469 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 2470 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 2471 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [1,1,0,0,0,0|1,0,1]=4 2472 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [1,1,0,0,0,0|1,0,1]=4 2473 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|2,0,0]=4 2474 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|2,0,0]=4 2475 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [1,1,0,0,0,0|2,0,0]=4 2476 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [1,1,0,0,0,0|2,0,0]=4 2477 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [1,1,0,0,0,0|2,0,0]=4 2478 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [1,1,0,0,0,0|2,0,0]=4 2479 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [1,1,0,0,0,0|2,0,0]=4 2480 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [1,1,0,0,0,0|1,0,0]=3 2481 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [1,1,0,0,0,0|1,0,0]=3 2482 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [1,1,0,0,0,0|1,0,0]=3 2483 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [1,1,0,0,0,0|1,0,0]=3 2484 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,0]=3 2485 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [1,1,0,0,0,0|1,0,0]=3 2486 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [1,1,0,0,0,0|1,0,0]=3 2487 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|0,0,0]=2 2488 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|0,0,0]=2 2489 B8R0.25 CC(C)(CO)NCCO 2230a_100000210608_100000211926 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.25 CCC(C)(C)NCCO 2230a_100000211385_100000211926 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 2492 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 2493 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [1,1,0,0,0,0|2,0,0]=4 2494 B8R0.25 CCS(=O)(=O)NCCF 270084a_100000724931_100000211323 [1,1,0,0,0,0|2,0,0]=4 2495 B8R0.25 CCS(=O)(=O)NCCF 274078a_100000724931_100000211323 [1,1,0,0,0,0|2,0,0]=4 2496 B8R0.25 CCS(=O)(=O)NCCF 40a_100000724931_100000053943 [1,1,0,0,0,0|2,0,0]=4 2497 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [1,1,0,0,0,0|1,0,0]=3 2498 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [1,1,0,0,0,0|1,0,0]=3 2499 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [1,1,0,0,0,0|1,0,0]=3 2500 B8R0.25 O=S(=O)(CCl)NCCO 270084a_100000210304_100000031410 [1,1,0,0,0,0|2,0,0]=4 2501 B8R0.25 O=S(=O)(CCl)NCCO 274078a_100000210304_100000031410 [1,1,0,0,0,0|2,0,0]=4 2502 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [1,1,0,0,0,0|1,0,1]=4 2503 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [1,1,0,0,0,0|1,0,1]=4 2504 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 2505 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [1,1,0,0,0,0|1,0,1]=4 2506 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [1,1,0,0,0,0|1,0,1]=4 2507 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 2508 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [1,1,0,0,0,0|1,0,1]=4 2509 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 2510 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 2511 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|1,0,1]=4 2512 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [1,1,0,0,0,0|1,0,1]=4 2513 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [1,1,0,0,0,0|1,0,1]=4 2514 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [1,1,0,0,0,0|0,0,1]=3 2515 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [1,1,0,0,0,0|0,0,1]=3 2516 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [1,1,0,0,0,0|0,0,1]=3 2517 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [1,1,0,0,0,0|0,0,1]=3 2518 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [1,1,0,0,0,0|0,0,1]=3 2519 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [1,1,0,0,0,0|0,0,1]=3 2520 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [1,1,0,0,0,0|0,0,1]=3 2521 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [1,1,0,0,0,0|0,0,1]=3 2522 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,1,0,0,0,0|1,0,1]=4 2523 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,1,0,0,0,0|1,0,1]=4 2524 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,1,0,0,0,0|1,0,1]=4 2525 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,1,0,0,0,0|1,0,1]=4 2526 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,1,0,0,0,0|1,0,1]=4 2527 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,1,0,0,0,0|1,0,1]=4 2528 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|1,0,1]=4 2529 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [1,1,0,0,0,0|0,0,1]=3 2530 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [1,1,0,0,0,0|0,0,1]=3 2531 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [1,1,0,0,0,0|1,0,1]=4 2532 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [1,1,0,0,0,0|1,0,1]=4 2533 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [1,1,0,0,0,0|1,0,1]=4 2534 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [1,1,0,0,0,0|1,0,1]=4 2535 B8R0.7 C=C(C)C=NNCCO 4a_100000210001_100000210575 [1,1,0,0,0,0|1,0,1]=4 2536 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 2537 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|1,0,1]=4 2538 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 2539 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|1,0,1]=4 2540 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,1,0,0,0,0|1,0,1]=4 2541 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,1,0,0,0,0|1,0,1]=4 2543 B8R0.7 CC(C)C=NNCCO 4a_100000210001_100000210432 [1,1,0,0,0,0|1,0,0]=3 2544 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|1,0,1]=4 2545 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|1,0,1]=4 2546 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|1,0,1]=4 2547 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|1,0,1]=4 2549 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 2550 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 2551 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [1,1,0,0,0,0|1,0,1]=4 2552 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [1,1,0,0,0,0|1,0,1]=4 2553 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,1,0,0,0,0|1,0,1]=4 2554 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,1,0,0,0,0|1,0,1]=4 2555 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|0,0,1]=3 2556 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|0,0,1]=3 2557 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|0,0,1]=3 2558 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 2559 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,0,1]=4 2560 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [1,1,0,0,0,0|1,0,1]=4 2561 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,1,0,0,0,0|1,0,1]=4 2562 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,1,0,0,0,0|1,0,1]=4 2563 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|0,0,1]=3 2566 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|0,0,1]=3 2567 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [1,1,0,0,0,0|1,0,1]=4 2568 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|1,0,1]=4 2569 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|1,0,1]=4 2570 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 2571 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 2572 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 2573 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 2574 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 2576 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 2577 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [1,1,0,0,0,0|2,0,0]=4 2578 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|1,0,1]=4 2579 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 2580 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|1,0,1]=4 2581 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 2582 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 2583 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|0,0,1]=3 2584 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|0,0,1]=3 2585 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|0,0,1]=3 2586 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|0,0,1]=3 2587 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|1,0,1]=4 2588 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|1,0,1]=4 2589 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|1,0,1]=4 2590 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|1,0,1]=4 2591 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|1,0,1]=4 2592 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|1,0,1]=4 2593 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,1,0,0,0,0|0,1,1]=4 2594 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,1,0,0,0,0|0,1,1]=4 2595 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,1,0,0,0,0|0,1,1]=4 2596 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,1,0,0,0,0|0,1,1]=4 2597 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,1,0,0,0,0|1,0,1]=4 2598 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|1,0,1]=4 2601 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.21 CC(C)(C)CNCCO 2230a_100000743828_100000211926 [1,1,0,0,0,0|1,0,1]=4 2603 B8R0.21 CC(C)(C)CNCCO 270004a_100000210304_100011204126 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.21 CC(C)(C)CNCCO 34a_100016990907_100011219605 [1,1,0,0,0,0|1,0,1]=4 2605 B8R0.21 CC(C)(F)CNCCO 2230a_100020643315_100000211926 [1,1,0,0,0,0|1,0,1]=4 2606 B8R0.21 CC(C)(F)CNCCO 34a_100016990907_100011997219 [1,1,0,0,0,0|1,0,1]=4 2607 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [1,1,0,0,0,0|1,0,1]=4 2608 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [1,1,0,0,0,0|1,0,1]=4 2609 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [1,1,0,0,0,0|0,0,1]=3 2610 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [1,1,0,0,0,0|0,0,1]=3 2611 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [1,1,0,0,0,0|1,0,1]=4 2612 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [1,1,0,0,0,0|1,0,1]=4 2613 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [1,1,0,0,0,0|1,0,1]=4 2614 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,1,0,0,0,0|1,0,1]=4 2615 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,1,0,0,0,0|1,0,1]=4 2616 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,1,0,0,0,0|1,0,1]=4 2617 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,1,0,0,0,0|1,0,1]=4 2618 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,1,0,0,0,0|1,0,1]=4 2619 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,1,0,0,0,0|1,0,1]=4 2620 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,1,0,0,0,0|1,0,1]=4 2621 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|0,0,2]=4 2622 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [1,1,0,0,0,0|0,0,1]=3 2623 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [1,1,0,0,0,0|0,0,1]=3 2624 B8R0.28 CC(O)CNCC(F)F 2230a_100000210904_100011934356 [1,1,0,0,0,0|1,0,1]=4 2625 B8R0.28 CC(O)CNCC(F)F 34a_100000210904_100011934356 [1,1,0,0,0,0|1,0,1]=4 2626 B8R0.28 CC(O)CNCC(F)F 34a_100000765723_100011218427 [1,1,0,0,0,0|1,0,1]=4 2627 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [1,1,0,0,0,0|0,0,1]=3 2628 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [1,1,0,0,0,0|0,0,1]=3 2629 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [1,1,0,0,0,0|1,0,1]=4 2630 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [1,1,0,0,0,0|1,0,1]=4 2631 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [1,1,0,0,0,0|1,0,1]=4 2632 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|0,0,2]=4 2633 B8R0.28 C[C@@H](O)CNCC(F)F 34a_100000765723_100009817552 [1,1,0,0,0,0|1,0,1]=4 2634 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [1,1,0,0,0,0|1,0,1]=4 2635 B8R0.2 C#CC(C)C(=O)[C@@H](C)O 1458a_100000717761_200000035995 [1,1,0,0,0,0|1,0,1]=4 2636 B8R0.2 C#CC(C)C(=O)[C@H](C)O 1458a_217856618621_200000035995 [1,1,0,0,0,0|1,0,1]=4 2637 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [1,1,0,0,0,0|1,0,1]=4 2638 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [1,1,0,0,0,0|1,0,1]=4 2639 B8R0.2 CC(C#N)C(=O)[C@@H](C)O 1458a_100000717761_100000703298 [1,1,0,0,0,0|1,0,1]=4 2640 B8R0.2 CC(C#N)C(=O)[C@H](C)O 1458a_217856618621_100000703298 [1,1,0,0,0,0|1,0,1]=4 2641 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [1,1,0,0,0,0|1,0,0]=3 2642 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [1,1,0,0,0,0|2,0,0]=4 2643 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [1,1,0,0,0,0|2,0,0]=4 2644 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [1,1,0,0,0,0|2,0,0]=4 2645 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [1,1,0,0,0,0|2,0,0]=4 2646 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,1,0,0,0,0|1,0,0]=3 2647 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,1,0,0,0,0|1,0,0]=3 2648 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [1,1,0,0,0,0|2,0,0]=4 2649 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2650 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2651 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2652 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2653 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [1,1,0,0,0,0|1,0,0]=3 2654 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [1,1,0,0,0,0|1,0,0]=3 2655 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [1,1,0,0,0,0|1,0,0]=3 2656 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [1,1,0,0,0,0|1,0,0]=3 2657 B8R0.2 CCN(C)C(=O)C(F)F 11a_100000225621_100000210393 [1,1,0,0,0,0|2,0,0]=4 2658 B8R0.2 CCN(C)C(=O)C(F)F 1626a_100000225621_100000210393 [1,1,0,0,0,0|2,0,0]=4 2659 B8R0.2 CCN(C)C(=O)C(F)F 240690a_100000225621_100000210393 [1,1,0,0,0,0|2,0,0]=4 2660 B8R0.2 CCN(C)C(=O)C(F)F 527a_100000225621_100000210393 [1,1,0,0,0,0|2,0,0]=4 2661 B8R0.2 CCN(C)C(=O)C(O)O 240690a_100000225621_100000233687 [1,1,0,0,0,0|1,0,0]=3 2662 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [1,1,0,0,0,0|0,0,0]=2 2663 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [1,1,0,0,0,0|0,0,0]=2 2664 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [1,1,0,0,0,0|0,0,0]=2 2665 B8R0.2 CN(C)C(=O)C(O)CO 240690a_100102631434_100011215603 [1,1,0,0,0,0|2,0,0]=4 2666 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [1,1,0,0,0,0|2,0,0]=4 2667 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [1,1,0,0,0,0|2,0,0]=4 2668 B8R0.14 C#CCC(=O)C(C)(C)O 1458a_100000242741_100000184674 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.14 C=CCC(=O)C(C)(C)O 1458a_100000242741_100000210623 [1,1,0,0,0,0|1,0,1]=4 2670 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [1,1,0,0,0,0|2,0,0]=4 2671 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [1,1,0,0,0,0|1,0,0]=3 2672 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [1,1,0,0,0,0|2,0,0]=4 2673 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [1,1,0,0,0,0|1,0,0]=3 2674 B8R0.14 CC(C)(O)C(=O)CC#N 1458a_100000242741_100011214920 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [1,1,0,0,0,0|1,0,0]=3 2676 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [1,1,0,0,0,0|0,0,0]=2 2677 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [1,1,0,0,0,0|2,0,0]=4 2678 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [1,1,0,0,0,0|2,0,0]=4 2679 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|1,0,0]=3 2680 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 2681 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 2682 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 2683 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 2684 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 2685 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 2686 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [1,1,0,0,0,0|0,0,0]=2 2687 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [1,1,0,0,0,0|1,0,0]=3 2688 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [1,1,0,0,0,0|1,0,0]=3 2689 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [1,1,0,0,0,0|1,0,0]=3 2690 B8R0.14 CCNC(=O)C(F)(F)F 11a_100015525214_100015355933 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.14 CCNC(=O)C(F)(F)F 240690a_100015525214_100015355933 [1,1,0,0,0,0|2,0,0]=4 2692 B8R0.14 CCNC(=O)C(F)(F)F 527a_100015525214_100000210220 [1,1,0,0,0,0|2,0,0]=4 2693 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [1,1,0,0,0,0|1,0,1]=4 2694 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [1,1,0,0,0,0|1,0,1]=4 2695 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [1,1,0,0,0,0|2,0,0]=4 2696 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [1,1,0,0,0,0|2,0,0]=4 2697 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [1,1,0,0,0,0|1,0,0]=3 2698 B8R0.14 CNNC(=O)C(C)(F)F 22a_100016993582_100000042251 [1,1,0,0,0,0|2,0,0]=4 2699 B8R0.14 O=C(CCO)C(F)(F)F 1458a_100011216618_200000243211 [1,1,0,0,0,0|2,0,0]=4 2700 B8R0.14 O=C(CCO)C(F)(F)F 1458a_100015355933_100000211926 [1,1,0,0,0,0|2,0,0]=4 2701 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 11a_100015525214_200015216371 [1,1,0,0,0,0|2,0,0]=4 2702 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 240690a_100015525214_200015216371 [1,1,0,0,0,0|2,0,0]=4 2703 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 527a_100015525214_200015216371 [1,1,0,0,0,0|2,0,0]=4 2704 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [1,1,0,0,0,0|0,0,2]=4 2707 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [1,1,0,0,0,0|0,0,2]=4 2708 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [1,1,0,0,0,0|1,0,1]=4 2709 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [1,1,0,0,0,0|1,0,1]=4 2712 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [1,1,0,0,0,0|1,0,1]=4 2713 B8R0.23 C=C(F)CC(=O)[C@@H](C)O 1458a_100000717761_100009893438 [1,1,0,0,0,0|1,0,1]=4 2714 B8R0.23 C=C(F)CC(=O)[C@H](C)O 1458a_217856618621_100009893438 [1,1,0,0,0,0|1,0,1]=4 2715 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [1,1,0,0,0,0|0,0,2]=4 2716 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [1,1,0,0,0,0|2,0,0]=4 2717 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|1,0,0]=3 2718 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [1,1,0,0,0,0|2,0,0]=4 2719 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [1,1,0,0,0,0|2,0,0]=4 2721 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|1,0,0]=3 2723 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|1,0,0]=3 2724 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [1,1,0,0,0,0|0,0,2]=4 2725 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2726 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2727 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2728 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2729 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2730 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2731 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2732 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [1,1,0,0,0,0|1,0,0]=3 2733 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2734 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2736 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [1,1,0,0,0,0|2,0,0]=4 2737 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [1,1,0,0,0,0|1,0,0]=3 2738 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [1,1,0,0,0,0|2,0,0]=4 2739 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [1,1,0,0,0,0|0,0,0]=2 2740 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [1,1,0,0,0,0|0,0,0]=2 2741 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [1,1,0,0,0,0|0,0,0]=2 2742 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [1,1,0,0,0,0|2,0,0]=4 2743 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|1,0,0]=3 2744 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|1,0,0]=3 2745 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,1,0,0,0,0|1,0,0]=3 2746 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|0,0,0]=2 2747 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|0,0,0]=2 2748 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [1,1,0,0,0,0|0,0,2]=4 2749 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [1,1,0,0,0,0|0,0,2]=4 2750 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [1,1,0,0,0,0|1,0,0]=3 2751 B8R0.23 C[C@@H](O)C(=O)C[N+](=O)[O-] 1458a_100000717761_100000761209 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [1,1,0,0,0,0|2,0,0]=4 2753 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [1,1,0,0,0,0|0,0,2]=4 2754 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [1,1,0,0,0,0|0,0,2]=4 2755 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [1,1,0,0,0,0|1,0,0]=3 2756 B8R0.23 C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_217856618621_100000761209 [1,1,0,0,0,0|1,0,1]=4 2757 B8R0.23 O=C(CC(F)F)C(O)O 1458a_100000233687_100011934356 [1,1,0,0,0,0|2,0,0]=4 2758 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,1,0,0,0,1|2,0,0]=4 2759 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,1,0,0,0,1|2,0,0]=4 2760 B10R0.6 C#CCCNC(=O)CC(C)C 11a_100000755551_100000210554 [0,1,0,0,0,1|2,0,0]=4 2761 B10R0.6 C#CCCNC(=O)CC(C)C 1626a_100000755551_100000210554 [0,1,0,0,0,1|2,0,0]=4 2762 B10R0.6 C#CCCNC(=O)CC(C)C 240690a_100000755551_100000210554 [0,1,0,0,0,1|2,0,0]=4 2763 B10R0.6 C#CCCNC(=O)CC(C)C 527a_100000755551_100000210554 [0,1,0,0,0,1|2,0,0]=4 2764 B10R0.6 C#CCCNC(=O)C[C@@H](C)O 240690a_100000755551_100011933948 [0,1,0,0,0,1|1,0,0]=3 2765 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100000755551_100138425928 [0,1,0,0,0,1|2,0,0]=4 2766 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100138425928_100000755551 [0,1,0,0,0,1|2,0,0]=4 2767 B10R0.6 C#CCCNC(=O)NC(C)C 273464a_100138425928_100000755551 [0,1,0,0,0,1|2,0,0]=4 2768 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100000755551_100138425928 [0,1,0,0,0,1|2,0,0]=4 2769 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100138425928_100000755551 [0,1,0,0,0,1|2,0,0]=4 2770 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,1,0,0,0,1|2,0,0]=4 2771 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,1,0,0,0,1|2,0,0]=4 2772 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,1,0,0,0,1|2,0,0]=4 2773 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,1,0,0,0,1|2,0,0]=4 2774 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,1,0,0,0,1|2,0,0]=4 2775 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,1,0,0,0,1|2,0,0]=4 2776 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,1,0,0,0,1|1,0,0]=3 2777 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100015191253_100138425928 [0,1,0,0,0,1|2,0,0]=4 2778 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100138425928_100015191253 [0,1,0,0,0,1|2,0,0]=4 2779 B10R0.6 C=CCCNC(=O)NC(C)C 273464a_100138425928_100015191253 [0,1,0,0,0,1|2,0,0]=4 2780 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100015191253_100138425928 [0,1,0,0,0,1|2,0,0]=4 2781 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100138425928_100015191253 [0,1,0,0,0,1|2,0,0]=4 2782 B10R0.6 C=CCNNC(=O)C[C@@H](C)O 22a_100020588587_100011933948 [0,1,0,0,0,1|1,0,1]=4 2783 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,1,0,0,0,1|1,0,1]=4 2784 B10R0.6 CC(=CC(=O)NCCCO)Cl 240690a_100000182051_200042562850 [0,1,0,0,0,1|1,0,1]=4 2785 B10R0.6 CC(=CC(=O)NNCCO)C 22a_100000210001_100000211388 [0,1,0,0,0,1|1,0,1]=4 2786 B10R0.6 CC(=CC(=O)NNCCO)Cl 22a_100000210001_200042562850 [0,1,0,0,0,1|1,0,1]=4 2787 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,1,0,0,0,1|2,0,0]=4 2788 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,1,0,0,0,1|2,0,0]=4 2789 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,1,0,0,0,1|2,0,0]=4 2790 B10R0.6 CC(C)CC(=O)NCCC#N 11a_100000720768_100000210554 [0,1,0,0,0,1|2,0,0]=4 2791 B10R0.6 CC(C)CC(=O)NCCC#N 1626a_100000720768_100000210554 [0,1,0,0,0,1|2,0,0]=4 2792 B10R0.6 CC(C)CC(=O)NCCC#N 240690a_100000720768_100000210554 [0,1,0,0,0,1|2,0,0]=4 2793 B10R0.6 CC(C)CC(=O)NCCC#N 527a_100000720768_100000210554 [0,1,0,0,0,1|2,0,0]=4 2794 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,1,0,0,0,1|2,0,0]=4 2795 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,1,0,0,0,1|2,0,0]=4 2796 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,1,0,0,0,1|2,0,0]=4 2797 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,1,0,0,0,1|2,0,0]=4 2798 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,1,0,0,0,1|1,0,0]=3 2799 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,1,0,0,0,1|1,0,0]=3 2800 B10R0.6 CC(C)CC(=O)NNCCO 22a_100000210001_100000210554 [0,1,0,0,0,1|1,0,0]=3 2801 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,1,0,0,0,1|2,0,0]=4 2802 B10R0.6 CC(C)NC(=O)CNCCF 2230a_100000168517_100011217306 [0,1,0,0,0,1|2,0,0]=4 2803 B10R0.6 CC(C)NC(=O)CNCCF 34a_100000724931_100000183996 [0,1,0,0,0,1|2,0,0]=4 2804 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100000168517_100000211926 [0,1,0,0,0,1|1,0,0]=3 2805 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100016997473_100000183996 [0,1,0,0,0,1|1,0,0]=3 2806 B10R0.6 CC(C)NC(=O)CNCCO 34a_100016990907_100000183996 [0,1,0,0,0,1|1,0,0]=3 2807 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,1,0,0,0,1|2,0,0]=4 2808 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,1,0,0,0,1|2,0,0]=4 2809 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000183996_100000211926 [0,1,0,0,0,1|2,0,0]=4 2810 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000211926_100000183996 [0,1,0,0,0,1|2,0,0]=4 2811 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100000720768_100138425928 [0,1,0,0,0,1|2,0,0]=4 2812 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100138425928_100000720768 [0,1,0,0,0,1|2,0,0]=4 2813 B10R0.6 CC(C)NC(=O)NCCC#N 273464a_100138425928_100000720768 [0,1,0,0,0,1|2,0,0]=4 2814 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100000720768_100138425928 [0,1,0,0,0,1|2,0,0]=4 2815 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100138425928_100000720768 [0,1,0,0,0,1|2,0,0]=4 2816 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,1,0,0,0,1|2,0,0]=4 2817 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,1,0,0,0,1|2,0,0]=4 2818 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,1,0,0,0,1|2,0,0]=4 2819 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,1,0,0,0,1|2,0,0]=4 2820 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,1,0,0,0,1|2,0,0]=4 2821 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,1,0,0,0,1|1,0,0]=3 2822 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,1,0,0,0,1|1,0,0]=3 2823 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,1,0,0,0,1|1,0,0]=3 2824 B10R0.6 CC(C)NC(=O)NNCCO 273464a_100138425928_100000210001 [0,1,0,0,0,1|1,0,0]=3 2825 B10R0.6 CC(C)NC(=O)NNCCO 512a_100138425928_100000210001 [0,1,0,0,0,1|1,0,0]=3 2826 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,1,0,0,0,1|2,0,0]=4 2827 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,1,0,0,0,1|1,0,0]=3 2828 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,1,0,0,0,1|1,0,0]=3 2829 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,1,0,0,0,1|2,0,0]=4 2830 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,1,0,0,0,1|2,0,0]=4 2831 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,1,0,0,0,1|2,0,0]=4 2832 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,1,0,0,0,1|1,0,0]=3 2833 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,1,0,0,0,1|1,0,0]=3 2834 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,1,0,0,0,1|2,0,0]=4 2835 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,1,0,0,0,1|2,0,0]=4 2836 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,1|2,0,0]=4 2837 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,1|2,0,0]=4 2838 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,1,0,0,0,1|2,0,0]=4 2839 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,1,0,0,0,1|2,0,0]=4 2840 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,1,0,0,0,1|2,0,0]=4 2841 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,1,0,0,0,1|2,0,0]=4 2842 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,1,0,0,0,1|1,0,0]=3 2843 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,1,0,0,0,1|2,0,0]=4 2844 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,1,0,0,0,1|2,0,0]=4 2845 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,1,0,0,0,1|2,0,0]=4 2846 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,1,0,0,0,1|2,0,0]=4 2847 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,1,0,0,0,1|2,0,0]=4 2848 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,1,0,0,0,1|2,0,0]=4 2849 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,1,0,0,0,1|2,0,0]=4 2850 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,1,0,0,0,1|1,0,0]=3 2851 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,1,0,0,0,1|2,0,0]=4 2852 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,1,0,0,0,1|2,0,0]=4 2853 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,1,0,0,0,1|2,0,0]=4 2854 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,1,0,0,0,1|2,0,0]=4 2855 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,1,0,0,0,1|2,0,0]=4 2856 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,1,0,0,0,1|2,0,0]=4 2857 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,1,0,0,0,1|2,0,0]=4 2858 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,1,0,0,0,1|2,0,0]=4 2859 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,1,0,0,0,1|2,0,0]=4 2860 B10R0.6 CN(C)CC(=O)NCCCO 240690a_100000182051_100000750896 [0,1,0,0,0,1|2,0,0]=4 2861 B10R0.6 CN(C)CC(=O)NCCCO 527a_100000182051_100000750896 [0,1,0,0,0,1|2,0,0]=4 2862 B10R0.6 CN(C)CC(=O)NNCCO 22a_100000210001_100000750896 [0,1,0,0,0,1|2,0,0]=4 2863 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,1,0,0,0,1|1,0,1]=4 2864 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,1,0,0,0,1|2,0,0]=4 2865 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,1,0,0,0,1|2,0,0]=4 2866 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,1,0,0,0,1|1,0,0]=3 2867 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,1,0,0,0,1|1,0,0]=3 2868 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,1,0,0,0,1|2,0,0]=4 2869 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,1,0,0,0,1|2,0,0]=4 2870 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,1,0,0,0,1|2,0,0]=4 2871 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,1,0,0,0,1|2,0,0]=4 2872 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,1,0,0,0,1|1,0,1]=4 2873 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,1,0,0,0,1|1,0,1]=4 2874 B10R0.6 COCCNC(=O)C=C(C)Cl 1626a_100000209980_200042562850 [0,1,0,0,0,1|1,0,1]=4 2875 B10R0.6 COCCNC(=O)C=C(C)Cl 240690a_100000209980_200042562850 [0,1,0,0,0,1|1,0,1]=4 2876 B10R0.6 COCCNC(=O)C=C(C)I 1626a_100000209980_100025716642 [0,1,0,0,0,1|1,0,1]=4 2877 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,1,0,0,0,1|0,0,2]=4 2878 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,1,0,0,0,1|1,0,0]=3 2879 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,1,0,0,0,1|1,0,0]=3 2880 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,1,0,0,0,1|1,0,0]=3 2881 B10R0.6 COCCNC(=O)CN(C)C 2230a_100020672463_200000210301 [0,1,0,0,0,1|2,0,0]=4 2882 B10R0.6 COCCNC(=O)CN(C)C 2230a_100102631434_100000183275 [0,1,0,0,0,1|2,0,0]=4 2883 B10R0.6 COCCNC(=O)CN(C)C 240690a_100000209980_100000750896 [0,1,0,0,0,1|2,0,0]=4 2884 B10R0.6 COCCNC(=O)CN(C)C 269982a_100020672463_200000210301 [0,1,0,0,0,1|2,0,0]=4 2885 B10R0.6 COCCNC(=O)CN(C)C 269982a_100102631434_100000183275 [0,1,0,0,0,1|2,0,0]=4 2886 B10R0.6 COCCNC(=O)CN(C)C 527a_100000209980_100000750896 [0,1,0,0,0,1|2,0,0]=4 2887 B10R0.6 COCCNC(=O)CN(C)[13CH3] 2230a_100020672463_200025704644 [0,1,0,0,0,1|2,0,0]=4 2888 B10R0.6 COCCNC(=O)CN(C)[13CH3] 269982a_100020672463_200025704644 [0,1,0,0,0,1|2,0,0]=4 2889 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,1,0,0,0,1|0,0,0]=2 2890 B10R0.6 COCCNC(=O)C[S+](C)C 1626a_100000209980_200159257847 [0,1,0,0,0,1|2,0,0]=4 2891 B10R0.6 COCCNC(=O)C[S+](C)C 240690a_100000209980_200159257847 [0,1,0,0,0,1|2,0,0]=4 2892 B10R0.6 COCCNC(=O)C[S+](C)C 527a_100000209980_200159257847 [0,1,0,0,0,1|2,0,0]=4 2893 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,1,0,0,0,1|1,0,0]=3 2894 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,1,0,0,0,1|1,0,0]=3 2895 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,1,0,0,0,1|1,1,0]=4 2896 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,1,0,0,0,1|1,1,0]=4 2897 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,1,0,0,0,1|1,1,0]=4 2898 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,1,0,0,0,1|1,1,0]=4 2899 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,1,0,0,0,1|1,1,0]=4 2900 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,1,0,0,0,1|0,1,0]=3 2901 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,1,0,0,0,1|1,1,0]=4 2902 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,1,0,0,0,1|1,1,0]=4 2903 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,1,0,0,0,1|1,1,0]=4 2904 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,1,0,0,0,1|1,1,0]=4 2905 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,1,0,0,0,1|1,1,0]=4 2906 B10R0.6 C[C@@H](O)CC(=O)CC#CCO 1458a_100011933948_200000047223 [0,1,0,0,0,1|1,0,1]=4 2907 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,1,0,0,0,1|2,0,0]=4 2908 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,1,0,0,0,1|2,0,0]=4 2909 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,1,0,0,0,1|1,0,0]=3 2910 B10R0.6 C[C@@H](O)CC(=O)NCCC#N 240690a_100000720768_100011933948 [0,1,0,0,0,1|1,0,0]=3 2911 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,1,0,0,0,1|1,0,0]=3 2912 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,1,0,0,0,1|0,0,0]=2 2913 B10R0.6 C[C@@H](O)CC(=O)NNCCO 22a_100000210001_100011933948 [0,1,0,0,0,1|0,0,0]=2 2914 B10R0.6 C[S+](C)CC(=O)NCCCO 240690a_100000182051_200159257847 [0,1,0,0,0,1|2,0,0]=4 2915 B10R0.6 C[S+](C)CC(=O)NCCCO 527a_100000182051_200159257847 [0,1,0,0,0,1|2,0,0]=4 2916 B10R0.6 C[S+](C)CC(=O)NNCCO 22a_100000210001_200159257847 [0,1,0,0,0,1|2,0,0]=4 2917 B10R0.18 C#CC(C)NC(=O)NCCC 2708a_100000707721_100020643023 [0,1,0,0,0,1|2,0,0]=4 2918 B10R0.18 C#CC(C)NC(=O)NCCC 2708a_100020643023_100000707721 [0,1,0,0,0,1|2,0,0]=4 2919 B10R0.18 C#CC(C)NC(=O)NCCC 273464a_100000707721_100020643023 [0,1,0,0,0,1|2,0,0]=4 2920 B10R0.18 C#CC(C)NC(=O)NCCC 273464a_100020643023_100000707721 [0,1,0,0,0,1|2,0,0]=4 2921 B10R0.18 C#CC(C)NC(=O)NCCC 512a_100000707721_100020643023 [0,1,0,0,0,1|2,0,0]=4 2922 B10R0.18 C#CC(C)NC(=O)NCCC 512a_100020643023_100000707721 [0,1,0,0,0,1|2,0,0]=4 2923 B10R0.18 C#CC(C)NC(=O)NCCF 2708a_100000707721_100000724931 [0,1,0,0,0,1|2,0,0]=4 2924 B10R0.18 C#CC(C)NC(=O)NCCF 273464a_100000707721_100000724931 [0,1,0,0,0,1|2,0,0]=4 2925 B10R0.18 C#CC(C)NC(=O)NCCF 273464a_100000724931_100000707721 [0,1,0,0,0,1|2,0,0]=4 2926 B10R0.18 C#CC(C)NC(=O)NCCF 512a_100000707721_100000724931 [0,1,0,0,0,1|2,0,0]=4 2927 B10R0.18 C#CC(C)NC(=O)NCCO 2708a_100000707721_100000210304 [0,1,0,0,0,1|1,0,0]=3 2928 B10R0.18 C#CC(C)NC(=O)NCCO 273464a_100000210304_100000707721 [0,1,0,0,0,1|1,0,0]=3 2929 B10R0.18 C#CC(C)NC(=O)NCCO 273464a_100000707721_100000210304 [0,1,0,0,0,1|1,0,0]=3 2930 B10R0.18 C#CC(C)NC(=O)NCCO 512a_100000707721_100000210304 [0,1,0,0,0,1|1,0,0]=3 2931 B10R0.18 C#CCNC(=O)CC(O)CC 1626a_100000212058_100011667805 [0,1,0,0,0,1|1,0,1]=4 2932 B10R0.18 C#CCNC(=O)CC(O)CC 240690a_100000212058_100011667805 [0,1,0,0,0,1|1,0,1]=4 2933 B10R0.18 C#CCNC(=O)N[C@H](C)CO 2708a_100000212058_100000737577 [0,1,0,0,0,1|1,0,1]=4 2934 B10R0.18 C#CCNC(=O)N[C@H](C)CO 273464a_100000737577_100000212058 [0,1,0,0,0,1|1,0,1]=4 2935 B10R0.18 C#CCNC(=O)N[C@H](C)CO 512a_100000212058_100000737577 [0,1,0,0,0,1|1,0,1]=4 2936 B10R0.18 C#CCNC(=O)N[C@H](C)CO 512a_100000737577_100000212058 [0,1,0,0,0,1|1,0,1]=4 2937 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,1,0,0,0,1|2,0,0]=4 2938 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,1,0,0,0,1|2,0,0]=4 2939 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,1,0,0,0,1|2,0,0]=4 2940 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,1,0,0,0,1|2,0,0]=4 2941 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,1,0,0,0,1|2,0,0]=4 2942 B10R0.18 C=CC(C)CC(=O)NCCF 11a_100000724931_100011934298 [0,1,0,0,0,1|2,0,0]=4 2943 B10R0.18 C=CC(C)CC(=O)NCCF 1626a_100000724931_100011934298 [0,1,0,0,0,1|2,0,0]=4 2944 B10R0.18 C=CC(C)CC(=O)NCCF 240690a_100000724931_100011934298 [0,1,0,0,0,1|2,0,0]=4 2945 B10R0.18 C=CC(C)CC(=O)NCCF 527a_100000724931_100011934298 [0,1,0,0,0,1|2,0,0]=4 2946 B10R0.18 C=CC(C)CC(=O)NCCO 240690a_100000210304_100011934298 [0,1,0,0,0,1|1,0,0]=3 2947 B10R0.18 C=CC(C)CC(=O)NCCO 527a_100000210304_100011934298 [0,1,0,0,0,1|1,0,0]=3 2948 B10R0.18 C=CCNC(=O)CC(O)CC 1626a_100020586998_100011667805 [0,1,0,0,0,1|1,0,1]=4 2949 B10R0.18 C=CCNC(=O)CC(O)CC 240690a_100020586998_100011667805 [0,1,0,0,0,1|1,0,1]=4 2950 B10R0.18 C=CCNC(=O)N[C@H](C)CO 273464a_100000737577_100020586998 [0,1,0,0,0,1|1,0,1]=4 2951 B10R0.18 C=CCNC(=O)N[C@H](C)CO 512a_100000737577_100020586998 [0,1,0,0,0,1|1,0,1]=4 2952 B10R0.18 C=CCNC(=O)N[C@H](C)CO 512a_100020586998_100000737577 [0,1,0,0,0,1|1,0,1]=4 2953 B10R0.18 CC(C#N)NC(=O)NCCF 2708a_100000737613_100000724931 [0,1,0,0,0,1|2,0,0]=4 2954 B10R0.18 CC(C#N)NC(=O)NCCF 273464a_100000724931_100000737613 [0,1,0,0,0,1|2,0,0]=4 2955 B10R0.18 CC(C#N)NC(=O)NCCF 273464a_100000737613_100000724931 [0,1,0,0,0,1|2,0,0]=4 2956 B10R0.18 CC(C#N)NC(=O)NCCF 512a_100000737613_100000724931 [0,1,0,0,0,1|2,0,0]=4 2957 B10R0.18 CC(C#N)NC(=O)NCCO 2708a_100000737613_100000210304 [0,1,0,0,0,1|1,0,0]=3 2958 B10R0.18 CC(C#N)NC(=O)NCCO 273464a_100000210304_100000737613 [0,1,0,0,0,1|1,0,0]=3 2959 B10R0.18 CC(C#N)NC(=O)NCCO 273464a_100000737613_100000210304 [0,1,0,0,0,1|1,0,0]=3 2960 B10R0.18 CC(C#N)NC(=O)NCCO 512a_100000737613_100000210304 [0,1,0,0,0,1|1,0,0]=3 2961 B10R0.18 CCC(=CC(=O)NCCO)C 240690a_100000210304_100020758463 [0,1,0,0,0,1|1,0,1]=4 2962 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,1,0,0,0,1|2,0,0]=4 2963 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 2964 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 2965 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 2966 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 2967 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,1,0,0,0,1|1,0,0]=3 2968 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,1,0,0,0,1|1,0,0]=3 2969 B10R0.18 CCC(C)NC(=O)NCCF 2708a_100000209981_100000724931 [0,1,0,0,0,1|2,0,0]=4 2970 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000209981_100000724931 [0,1,0,0,0,1|2,0,0]=4 2971 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000724931_100000209981 [0,1,0,0,0,1|2,0,0]=4 2972 B10R0.18 CCC(C)NC(=O)NCCF 512a_100000209981_100000724931 [0,1,0,0,0,1|2,0,0]=4 2973 B10R0.18 CCC(C)NC(=O)NCCO 2708a_100000209981_100000210304 [0,1,0,0,0,1|1,0,0]=3 2974 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000209981_100000210304 [0,1,0,0,0,1|1,0,0]=3 2975 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000210304_100000209981 [0,1,0,0,0,1|1,0,0]=3 2976 B10R0.18 CCC(C)NC(=O)NCCO 512a_100000209981_100000210304 [0,1,0,0,0,1|1,0,0]=3 2977 B10R0.18 CCC(O)CC(=O)C#CCO 1458a_100000049017_100011218378 [0,1,0,0,0,1|1,0,1]=4 2978 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,1,0,0,0,1|2,0,0]=4 2979 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,1,0,0,0,1|1,0,0]=3 2980 B10R0.18 CCC(O)CC(=O)NCC#N 1626a_100000734998_100011667805 [0,1,0,0,0,1|1,0,1]=4 2981 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,1,0,0,0,1|1,0,0]=3 2982 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,1,0,0,0,1|1,0,0]=3 2983 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,1,0,0,0,1|0,0,0]=2 2984 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,1,0,0,0,1|2,0,0]=4 2985 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,1,0,0,0,1|2,0,0]=4 2986 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,1,0,0,0,1|2,0,0]=4 2987 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,1,0,0,0,1|2,0,0]=4 2988 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,1,0,0,0,1|2,0,0]=4 2989 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,1,0,0,0,1|2,0,0]=4 2990 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,1,0,0,0,1|2,0,0]=4 2991 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,1,0,0,0,1|2,0,0]=4 2992 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,1,0,0,0,1|2,0,0]=4 2993 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,1,0,0,0,1|1,0,0]=3 2994 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,1,0,0,0,1|1,0,0]=3 2995 B10R0.18 CCCNC(=O)NC(C)C#N 2708a_100000737613_100020643023 [0,1,0,0,0,1|2,0,0]=4 2996 B10R0.18 CCCNC(=O)NC(C)C#N 2708a_100020643023_100000737613 [0,1,0,0,0,1|2,0,0]=4 2997 B10R0.18 CCCNC(=O)NC(C)C#N 273464a_100000737613_100020643023 [0,1,0,0,0,1|2,0,0]=4 2998 B10R0.18 CCCNC(=O)NC(C)C#N 273464a_100020643023_100000737613 [0,1,0,0,0,1|2,0,0]=4 2999 B10R0.18 CCCNC(=O)NC(C)C#N 512a_100000737613_100020643023 [0,1,0,0,0,1|2,0,0]=4 3000 B10R0.18 CCCNC(=O)NC(C)C#N 512a_100020643023_100000737613 [0,1,0,0,0,1|2,0,0]=4 3001 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [0,1,0,0,0,1|2,0,0]=4 3002 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [0,1,0,0,0,1|2,0,0]=4 3003 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [0,1,0,0,0,1|2,0,0]=4 3004 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [0,1,0,0,0,1|2,0,0]=4 3005 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [0,1,0,0,0,1|2,0,0]=4 3006 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [0,1,0,0,0,1|2,0,0]=4 3007 B10R0.18 CCCNC(=O)N[C@H](C)CF 2708a_100020643023_100102880703 [0,1,0,0,0,1|2,0,0]=4 3008 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100020643023_100102880703 [0,1,0,0,0,1|2,0,0]=4 3009 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020643023 [0,1,0,0,0,1|2,0,0]=4 3010 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100020643023_100102880703 [0,1,0,0,0,1|2,0,0]=4 3011 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100102880703_100020643023 [0,1,0,0,0,1|2,0,0]=4 3012 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [0,1,0,0,0,1|1,0,0]=3 3013 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [0,1,0,0,0,1|1,0,0]=3 3014 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [0,1,0,0,0,1|1,0,0]=3 3015 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [0,1,0,0,0,1|1,0,0]=3 3016 B10R0.18 CCN(C)CC(=O)NCCO 240690a_100000210304_100116209913 [0,1,0,0,0,1|2,0,0]=4 3017 B10R0.18 CCN(C)CC(=O)NCCO 527a_100000210304_100116209913 [0,1,0,0,0,1|2,0,0]=4 3018 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,1,0,0,0,1|2,0,0]=4 3019 B10R0.18 CCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000756455 [0,1,0,0,0,1|2,0,0]=4 3020 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000737577_100000756455 [0,1,0,0,0,1|2,0,0]=4 3021 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000756455_100000737577 [0,1,0,0,0,1|2,0,0]=4 3022 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [0,1,0,0,0,1|0,0,2]=4 3023 B10R0.18 C[C@@H](CO)CC(=O)C#CCO 1458a_100000049017_100000059175 [0,1,0,0,0,1|1,0,1]=4 3024 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100000724931_100102880703 [0,1,0,0,0,1|2,0,0]=4 3025 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100102880703_100000724931 [0,1,0,0,0,1|2,0,0]=4 3026 B10R0.18 C[C@H](CF)NC(=O)NCCF 512a_100102880703_100000724931 [0,1,0,0,0,1|2,0,0]=4 3027 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100000210304_100102880703 [0,1,0,0,0,1|1,0,0]=3 3028 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100102880703_100000210304 [0,1,0,0,0,1|1,0,0]=3 3029 B10R0.18 C[C@H](CF)NC(=O)NCCO 512a_100102880703_100000210304 [0,1,0,0,0,1|1,0,0]=3 3030 B10R0.18 C[C@H](CO)NC(=O)NCC#N 2708a_100000734998_100000737577 [0,1,0,0,0,1|1,0,1]=4 3031 B10R0.18 C[C@H](CO)NC(=O)NCC#N 273464a_100000737577_100000734998 [0,1,0,0,0,1|1,0,1]=4 3032 B10R0.18 C[C@H](CO)NC(=O)NCC#N 512a_100000734998_100000737577 [0,1,0,0,0,1|1,0,1]=4 3033 B10R0.18 C[C@H](CO)NC(=O)NCC#N 512a_100000737577_100000734998 [0,1,0,0,0,1|1,0,1]=4 3034 B10R0.18 C[C@H](CO)NC(=O)NCCF 273464a_100000737577_100000724931 [0,1,0,0,0,1|1,0,0]=3 3035 B10R0.18 C[C@H](CO)NC(=O)NCCF 512a_100000737577_100000724931 [0,1,0,0,0,1|1,0,0]=3 3036 B10R0.18 C[C@H](CO)NC(=O)NCCO 273464a_100000737577_100000210304 [0,1,0,0,0,1|0,0,0]=2 3037 B10R0.18 C[C@H](CO)NC(=O)NCCO 512a_100000737577_100000210304 [0,1,0,0,0,1|0,0,0]=2 3038 B10R0.28 C#CCNC(=O)CC(C)(C)O 527a_100000212058_100000693243 [0,1,0,0,0,1|1,0,1]=4 3039 B10R0.28 C=CCNC(=O)CC(C)(C)O 527a_100020586998_100000693243 [0,1,0,0,0,1|1,0,1]=4 3040 B10R0.28 CC(C)(C)CC(=O)CCCO 1458a_100000211214_100011215043 [0,1,0,0,0,1|2,0,0]=4 3041 B10R0.28 CC(C)(C)CC(=O)NCCF 11a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 3042 B10R0.28 CC(C)(C)CC(=O)NCCF 1626a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 3043 B10R0.28 CC(C)(C)CC(=O)NCCF 240690a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 3044 B10R0.28 CC(C)(C)CC(=O)NCCF 527a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 3045 B10R0.28 CC(C)(C)CC(=O)NCCO 240690a_100000210304_100000211214 [0,1,0,0,0,1|1,0,0]=3 3046 B10R0.28 CC(C)(C)CC(=O)NCCO 527a_100000210304_100000211214 [0,1,0,0,0,1|1,0,0]=3 3047 B10R0.28 CC(C)(C)NC(=O)NCCF 273464a_100000715429_100000724931 [0,1,0,0,0,1|2,0,0]=4 3048 B10R0.28 CC(C)(C)NC(=O)NCCF 273464a_100000724931_100000715429 [0,1,0,0,0,1|2,0,0]=4 3049 B10R0.28 CC(C)(C)NC(=O)NCCF 512a_100000715429_100000724931 [0,1,0,0,0,1|2,0,0]=4 3050 B10R0.28 CC(C)(C)NC(=O)NCCO 273464a_100000210304_100000715429 [0,1,0,0,0,1|1,0,0]=3 3051 B10R0.28 CC(C)(C)NC(=O)NCCO 273464a_100000715429_100000210304 [0,1,0,0,0,1|1,0,0]=3 3052 B10R0.28 CC(C)(C)NC(=O)NCCO 512a_100000715429_100000210304 [0,1,0,0,0,1|1,0,0]=3 3053 B10R0.28 CC(C)(O)CC(=O)CCCF 1458a_100000693243_100011934791 [0,1,0,0,0,1|2,0,0]=4 3054 B10R0.28 CC(C)(O)CC(=O)CCCO 1458a_100000693243_100011215043 [0,1,0,0,0,1|1,0,0]=3 3055 B10R0.28 CC(C)(O)CC(=O)NCC#N 527a_100000734998_100000693243 [0,1,0,0,0,1|1,0,1]=4 3056 B10R0.28 CC(C)(O)CC(=O)NCCF 527a_100000724931_100000693243 [0,1,0,0,0,1|1,0,0]=3 3057 B10R0.28 CC(C)(O)CC(=O)NCCO 527a_100000210304_100000693243 [0,1,0,0,0,1|0,0,0]=2 3058 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,1,0,0,0,1|2,0,0]=4 3059 B10R0.28 CCCNC(=O)CC(C)(C)C 11a_100020643023_100000211214 [0,1,0,0,0,1|2,0,0]=4 3060 B10R0.28 CCCNC(=O)CC(C)(C)C 1626a_100020643023_100000211214 [0,1,0,0,0,1|2,0,0]=4 3061 B10R0.28 CCCNC(=O)CC(C)(C)C 240690a_100020643023_100000211214 [0,1,0,0,0,1|2,0,0]=4 3062 B10R0.28 CCCNC(=O)CC(C)(C)C 527a_100020643023_100000211214 [0,1,0,0,0,1|2,0,0]=4 3063 B10R0.28 CCCNC(=O)CC(C)(C)O 527a_100020643023_100000693243 [0,1,0,0,0,1|1,0,0]=3 3064 B10R0.28 CCCNC(=O)NC(C)(C)C 2708a_100020643023_100000715429 [0,1,0,0,0,1|2,0,0]=4 3065 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100000715429_100020643023 [0,1,0,0,0,1|2,0,0]=4 3066 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100020643023_100000715429 [0,1,0,0,0,1|2,0,0]=4 3067 B10R0.28 CCCNC(=O)NC(C)(C)C 512a_100000715429_100020643023 [0,1,0,0,0,1|2,0,0]=4 3068 B10R0.28 CCNNC(=O)CC(C)(C)O 22a_100000756455_100000693243 [0,1,0,0,0,1|2,0,0]=4 3069 B10R0.28 CS(=O)(=O)CC(=O)NCCO 240690a_100000210304_100000744497 [0,1,0,0,0,1|1,0,1]=4 3070 B10R0.28 CS(=O)(=O)CC(=O)NCCO 527a_100000210304_100000744497 [0,1,0,0,0,1|1,0,1]=4 3071 B10R0.28 C[N+](C)(C)CC(=O)NCCO 240690a_100000210304_100000033712 [0,1,0,0,0,1|2,0,0]=4 3072 B10R0.28 C[N+](C)(C)CC(=O)NCCO 527a_100000210304_100000033712 [0,1,0,0,0,1|2,0,0]=4 3073 B10R0.28 O=C(CC(F)(F)F)NCCO 527a_100000210304_100000245130 [0,1,0,0,0,1|2,0,0]=4 3074 B10R0.32 C=CCN(C)C(=O)C[C@@H](C)O 240690a_100000225617_100011933948 [0,1,0,0,0,1|1,0,1]=4 3075 B10R0.32 CC(=CC(=O)N(C)CCO)C 240690a_100000210263_100000211388 [0,1,0,0,0,1|1,0,1]=4 3076 B10R0.32 CC(=CC(=O)N(C)CCO)Cl 240690a_100000210263_200042562850 [0,1,0,0,0,1|1,0,1]=4 3077 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,1,0,0,0,1|2,0,0]=4 3078 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,1,0,0,0,1|1,0,0]=3 3079 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,1,0,0,0,1|1,0,0]=3 3080 B10R0.32 CC(C)NC(=O)C(=O)CCO 1458a_100011220036_100000211926 [0,1,0,0,0,1|2,0,0]=4 3081 B10R0.32 CC(C)NC(=O)N(C)CCO 2708a_100138425928_100000210263 [0,1,0,0,0,1|1,0,0]=3 3082 B10R0.32 CC(C)NC(=O)N(C)CCO 273464a_100138425928_100000210263 [0,1,0,0,0,1|1,0,0]=3 3083 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,1,0,0,0,1|1,0,0]=3 3084 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,1,0,0,0,1|2,0,0]=4 3085 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,1,0,0,0,1|2,0,0]=4 3086 B10R0.32 CCCN(C)C(=O)CC(C)C 11a_100000747261_100000210554 [0,1,0,0,0,1|2,0,0]=4 3087 B10R0.32 CCCN(C)C(=O)CC(C)C 1626a_100000747261_100000210554 [0,1,0,0,0,1|2,0,0]=4 3088 B10R0.32 CCCN(C)C(=O)CC(C)C 240690a_100000747261_100000210554 [0,1,0,0,0,1|2,0,0]=4 3089 B10R0.32 CCCN(C)C(=O)CC(C)C 527a_100000747261_100000210554 [0,1,0,0,0,1|2,0,0]=4 3090 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [0,1,0,0,0,1|1,0,0]=3 3091 B10R0.32 CCCN(C)C(=O)NC(C)C 2708a_100138425928_100000747261 [0,1,0,0,0,1|2,0,0]=4 3092 B10R0.32 CCCN(C)C(=O)NC(C)C 273464a_100138425928_100000747261 [0,1,0,0,0,1|2,0,0]=4 3093 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,1,0,0,0,1|2,0,0]=4 3094 B10R0.32 CN(C)CC(=O)N(C)CCO 240690a_100000210263_100000750896 [0,1,0,0,0,1|2,0,0]=4 3095 B10R0.32 CN(C)CC(=O)N(C)CCO 527a_100000210263_100000750896 [0,1,0,0,0,1|2,0,0]=4 3096 B10R0.32 CN(CCO)C(=O)C[S+](C)C 240690a_100000210263_200159257847 [0,1,0,0,0,1|2,0,0]=4 3097 B10R0.32 CN(CCO)C(=O)C[S+](C)C 527a_100000210263_200159257847 [0,1,0,0,0,1|2,0,0]=4 3098 B10R0.32 C[C@@H](O)CC(=O)N(C)CCO 240690a_100000210263_100011933948 [0,1,0,0,0,1|0,0,0]=2 3099 B10R0.44 C#CC(C)NC(=O)C[C@@H](C)O 240690a_100000707721_100011933948 [0,1,0,0,0,1|1,0,1]=4 3100 B10R0.44 CC(=CC(=O)N[C@H](C)CO)C 240690a_100000737577_100000211388 [0,1,0,0,0,1|1,0,1]=4 3101 B10R0.44 CC(=CC(=O)N[C@H](C)CO)Cl 240690a_100000737577_200042562850 [0,1,0,0,0,1|1,0,1]=4 3102 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,1,0,0,0,1|2,0,0]=4 3103 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3104 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3105 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3106 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3107 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,1,0,0,0,1|1,0,0]=3 3108 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,1,0,0,0,1|1,0,0]=3 3109 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 2708a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 3110 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 273464a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 3111 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100138425928 [0,1,0,0,0,1|2,0,0]=4 3112 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 3113 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 2708a_100138425928_100000737577 [0,1,0,0,0,1|1,0,0]=3 3114 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100138425928 [0,1,0,0,0,1|1,0,0]=3 3115 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100138425928_100000737577 [0,1,0,0,0,1|1,0,0]=3 3116 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,1|2,0,0]=4 3117 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,1|2,0,0]=4 3118 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,1,0,0,0,1|2,0,0]=4 3119 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,1,0,0,0,1|2,0,0]=4 3120 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,1,0,0,0,1|2,0,0]=4 3121 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,1,0,0,0,1|2,0,0]=4 3122 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,1,0,0,0,1|1,0,0]=3 3123 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [0,1,0,0,0,1|2,0,0]=4 3124 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [0,1,0,0,0,1|2,0,0]=4 3125 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [0,1,0,0,0,1|2,0,0]=4 3126 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [0,1,0,0,0,1|2,0,0]=4 3127 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [0,1,0,0,0,1|2,0,0]=4 3128 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,1,0,0,0,1|2,0,0]=4 3129 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,1,0,0,0,1|2,0,0]=4 3130 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,1|2,0,0]=4 3131 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,1,0,0,0,1|1,0,0]=3 3132 B10R0.44 C[C@H](CF)NC(=O)C[C@@H](C)O 240690a_100102880703_100011933948 [0,1,0,0,0,1|1,0,0]=3 3133 B10R0.44 C[C@H](CO)NC(=O)CN(C)C 240690a_100000737577_100000750896 [0,1,0,0,0,1|2,0,0]=4 3134 B10R0.44 C[C@H](CO)NC(=O)CN(C)C 527a_100000737577_100000750896 [0,1,0,0,0,1|2,0,0]=4 3135 B10R0.44 C[C@H](CO)NC(=O)C[C@@H](C)O 240690a_100000737577_100011933948 [0,1,0,0,0,1|0,0,0]=2 3136 B10R0.44 C[C@H](CO)NC(=O)C[S+](C)C 240690a_100000737577_200159257847 [0,1,0,0,0,1|2,0,0]=4 3137 B10R0.44 C[C@H](CO)NC(=O)C[S+](C)C 527a_100000737577_200159257847 [0,1,0,0,0,1|2,0,0]=4 3138 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [0,1,0,0,0,1|2,0,0]=4 3139 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 3140 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 3141 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 3142 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 3143 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [0,1,0,0,0,1|1,0,0]=3 3144 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [0,1,0,0,0,1|1,0,0]=3 3145 B10R0.81 CC(C)N(C)C(=O)NCCF 273464a_100000724931_200000211004 [0,1,0,0,0,1|2,0,0]=4 3146 B10R0.81 CC(C)N(C)C(=O)NCCO 273464a_100000210304_200000211004 [0,1,0,0,0,1|1,0,0]=3 3147 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,1,0,0,0,1|2,0,0]=4 3148 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [0,1,0,0,0,1|2,0,0]=4 3149 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [0,1,0,0,0,1|1,0,0]=3 3150 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,1,0,0,0,1|2,0,0]=4 3151 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [0,1,0,0,0,1|2,0,0]=4 3152 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [0,1,0,0,0,1|2,0,0]=4 3153 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [0,1,0,0,0,1|2,0,0]=4 3154 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [0,1,0,0,0,1|2,0,0]=4 3155 B10R0.81 CCCNC(=O)N(C)C(C)C 2708a_100020643023_200000211004 [0,1,0,0,0,1|2,0,0]=4 3156 B10R0.81 CCCNC(=O)N(C)C(C)C 273464a_100020643023_200000211004 [0,1,0,0,0,1|2,0,0]=4 3157 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,1,0,0,0,1|2,0,0]=4 3158 B10R0.81 CN(C)C(=O)C(=O)NCCO 240690a_100000210304_100011218876 [0,1,0,0,0,1|2,0,0]=4 3159 B10R0.81 CN(C)C(=O)C(=O)NCCO 527a_100000210304_100011218876 [0,1,0,0,0,1|2,0,0]=4 3160 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 240690a_100000210304_100009822176 [0,1,0,0,0,1|2,0,0]=4 3161 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 527a_100000210304_100009822176 [0,1,0,0,0,1|2,0,0]=4 3162 B10R0.96 C=C(C)CNC(=O)C[C@@H](C)O 240690a_100000765925_100011933948 [0,1,0,0,0,1|1,0,1]=4 3163 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,1,0,0,0,1|1,0,1]=4 3164 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,1,0,0,0,1|1,0,1]=4 3165 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 11a_100000210904_200042562850 [0,1,0,0,0,1|1,0,1]=4 3166 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 240690a_100000210904_200042562850 [0,1,0,0,0,1|1,0,1]=4 3167 B10R0.96 CC(=CC(=O)NCC(C)O)I 11a_100000210904_100025716642 [0,1,0,0,0,1|1,0,1]=4 3168 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,1|2,0,0]=4 3169 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 3170 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 3171 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 3172 B10R0.96 CC(C)CC(=O)NCC(F)F 11a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 3173 B10R0.96 CC(C)CC(=O)NCC(F)F 1626a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 3174 B10R0.96 CC(C)CC(=O)NCC(F)F 240690a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 3175 B10R0.96 CC(C)CC(=O)NCC(F)F 527a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 3176 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,1|2,0,0]=4 3177 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,1|2,0,0]=4 3178 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3179 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3180 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3181 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,1,0,0,0,1|2,0,0]=4 3182 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,1,0,0,0,1|1,0,0]=3 3183 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,1,0,0,0,1|2,0,0]=4 3184 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,1,0,0,0,1|2,0,0]=4 3185 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,1,0,0,0,1|2,0,0]=4 3186 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,1,0,0,0,1|2,0,0]=4 3187 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,1,0,0,0,1|2,0,0]=4 3188 B10R0.96 CC(C)NC(=O)NCC(F)F 2708a_100138425928_100000765723 [0,1,0,0,0,1|2,0,0]=4 3189 B10R0.96 CC(C)NC(=O)NCC(F)F 273464a_100138425928_100000765723 [0,1,0,0,0,1|2,0,0]=4 3190 B10R0.96 CC(C)NC(=O)NCC(F)F 512a_100000765723_100138425928 [0,1,0,0,0,1|2,0,0]=4 3191 B10R0.96 CC(C)NC(=O)NCC(F)F 512a_100138425928_100000765723 [0,1,0,0,0,1|2,0,0]=4 3192 B10R0.96 CC(C)NNC(=O)C[C@@H](C)O 22a_100000741168_100011933948 [0,1,0,0,0,1|2,0,0]=4 3193 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,1|1,0,0]=3 3194 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,1|2,0,0]=4 3195 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3196 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3197 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3198 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,1,0,0,0,1|0,0,0]=2 3199 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3200 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3201 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3202 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 3203 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 3204 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,1,0,0,0,1|1,0,0]=3 3205 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 3206 B10R0.96 C[C@@H](O)CC(=O)NCC(=O)N 240690a_100000711301_100011933948 [0,1,0,0,0,1|0,0,2]=4 3207 B10R0.96 C[C@@H](O)CC(=O)NCC(F)F 240690a_100000765723_100011933948 [0,1,0,0,0,1|1,0,0]=3 3208 B10R0.122 CC(C)CS(=O)(=O)NCCO 270084a_100000210304_100000748289 [0,1,0,0,0,1|2,0,0]=4 3209 B10R0.122 CC(C)CS(=O)(=O)NCCO 274078a_100000210304_100000748289 [0,1,0,0,0,1|2,0,0]=4 3210 B10R0.5 C#CCCCC(=O)C(C)(C)O 1458a_100000242741_100000731252 [0,2,0,0,0,0|2,0,0]=4 3211 B10R0.5 C#CCCNC(=O)C(C)(C)C 11a_100000755551_106744555173 [0,2,0,0,0,0|2,0,0]=4 3212 B10R0.5 C#CCCNC(=O)C(C)(C)C 1626a_100000755551_106744555173 [0,2,0,0,0,0|2,0,0]=4 3213 B10R0.5 C#CCCNC(=O)C(C)(C)C 240690a_100000755551_106744555173 [0,2,0,0,0,0|2,0,0]=4 3214 B10R0.5 C#CCCNC(=O)C(C)(C)C 527a_100000755551_106744555173 [0,2,0,0,0,0|2,0,0]=4 3215 B10R0.5 C#CCCNC(=O)C(C)(C)F 11a_100000755551_100000765255 [0,2,0,0,0,0|2,0,0]=4 3216 B10R0.5 C#CCCNC(=O)C(C)(C)F 1626a_100000755551_100000765255 [0,2,0,0,0,0|2,0,0]=4 3217 B10R0.5 C#CCCNC(=O)C(C)(C)F 240690a_100000755551_100000765255 [0,2,0,0,0,0|2,0,0]=4 3218 B10R0.5 C#CCCNC(=O)C(C)(C)F 527a_100000755551_100000765255 [0,2,0,0,0,0|2,0,0]=4 3219 B10R0.5 C#CCCNC(=O)C(C)(C)O 240690a_100000755551_100000242741 [0,2,0,0,0,0|1,0,0]=3 3220 B10R0.5 C#CCCNC(=O)C(C)(F)F 11a_100000755551_100000042251 [0,2,0,0,0,0|2,0,0]=4 3221 B10R0.5 C#CCCNC(=O)C(C)(F)F 1626a_100000755551_100000042251 [0,2,0,0,0,0|2,0,0]=4 3222 B10R0.5 C#CCCNC(=O)C(C)(F)F 240690a_100000755551_100000042251 [0,2,0,0,0,0|2,0,0]=4 3223 B10R0.5 C#CCCNC(=O)C(C)(F)F 527a_100000755551_100000042251 [0,2,0,0,0,0|2,0,0]=4 3224 B10R0.5 C=CCCCC(=O)C(C)(C)O 1458a_100000242741_100000757094 [0,2,0,0,0,0|2,0,0]=4 3225 B10R0.5 C=CCCNC(=O)C(C)(C)C 11a_100015191253_106744555173 [0,2,0,0,0,0|2,0,0]=4 3226 B10R0.5 C=CCCNC(=O)C(C)(C)C 1626a_100015191253_106744555173 [0,2,0,0,0,0|2,0,0]=4 3227 B10R0.5 C=CCCNC(=O)C(C)(C)C 240690a_100015191253_106744555173 [0,2,0,0,0,0|2,0,0]=4 3228 B10R0.5 C=CCCNC(=O)C(C)(C)C 527a_100015191253_106744555173 [0,2,0,0,0,0|2,0,0]=4 3229 B10R0.5 C=CCCNC(=O)C(C)(C)F 11a_100015191253_100000765255 [0,2,0,0,0,0|2,0,0]=4 3230 B10R0.5 C=CCCNC(=O)C(C)(C)F 1626a_100015191253_100000765255 [0,2,0,0,0,0|2,0,0]=4 3231 B10R0.5 C=CCCNC(=O)C(C)(C)F 240690a_100015191253_100000765255 [0,2,0,0,0,0|2,0,0]=4 3232 B10R0.5 C=CCCNC(=O)C(C)(C)F 527a_100015191253_100000765255 [0,2,0,0,0,0|2,0,0]=4 3233 B10R0.5 C=CCCNC(=O)C(C)(C)O 240690a_100015191253_100000242741 [0,2,0,0,0,0|1,0,0]=3 3234 B10R0.5 C=CCCNC(=O)C(C)(F)F 11a_100015191253_100000042251 [0,2,0,0,0,0|2,0,0]=4 3235 B10R0.5 C=CCCNC(=O)C(C)(F)F 1626a_100015191253_100000042251 [0,2,0,0,0,0|2,0,0]=4 3236 B10R0.5 C=CCCNC(=O)C(C)(F)F 240690a_100015191253_100000042251 [0,2,0,0,0,0|2,0,0]=4 3237 B10R0.5 C=CCCNC(=O)C(C)(F)F 527a_100015191253_100000042251 [0,2,0,0,0,0|2,0,0]=4 3238 B10R0.5 C=CCNNC(=O)C(C)(C)O 22a_100020588587_100000242741 [0,2,0,0,0,0|1,0,1]=4 3239 B10R0.5 CC(=NNCCO)C(C)(C)O 4a_100000210001_100000747739 [0,2,0,0,0,0|1,0,0]=3 3240 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 34a_100009817195_200025704644 [0,2,0,0,0,0|2,0,0]=4 3241 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 7a_100009817195_200025704644 [0,2,0,0,0,0|2,0,0]=4 3242 B10R0.5 CC(C)(C)C(=O)CCCCO 1458a_106744555173_100000210776 [0,2,0,0,0,0|2,0,0]=4 3243 B10R0.5 CC(C)(C)C(=O)CNCCF 34a_100000724931_100000229897 [0,2,0,0,0,0|2,0,0]=4 3244 B10R0.5 CC(C)(C)C(=O)CNCCO 34a_100016990907_100000229897 [0,2,0,0,0,0|1,0,0]=3 3245 B10R0.5 CC(C)(C)C(=O)COCCO 34a_200011592769_100000211926 [0,2,0,0,0,0|2,0,0]=4 3246 B10R0.5 CC(C)(C)C(=O)COCCO 7a_200011592769_100000211926 [0,2,0,0,0,0|2,0,0]=4 3247 B10R0.5 CC(C)(C)C(=O)CSCCO 62a_100000210923_100000211926 [0,2,0,0,0,0|2,0,0]=4 3248 B10R0.5 CC(C)(C)C(=O)CSCCO 62a_100000211926_100000210923 [0,2,0,0,0,0|2,0,0]=4 3249 B10R0.5 CC(C)(C)C(=O)NCCC#N 11a_100000720768_106744555173 [0,2,0,0,0,0|2,0,0]=4 3250 B10R0.5 CC(C)(C)C(=O)NCCC#N 1626a_100000720768_106744555173 [0,2,0,0,0,0|2,0,0]=4 3251 B10R0.5 CC(C)(C)C(=O)NCCC#N 240690a_100000720768_106744555173 [0,2,0,0,0,0|2,0,0]=4 3252 B10R0.5 CC(C)(C)C(=O)NCCC#N 527a_100000720768_106744555173 [0,2,0,0,0,0|2,0,0]=4 3253 B10R0.5 CC(C)(C)C(=O)NCCCF 11a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 3254 B10R0.5 CC(C)(C)C(=O)NCCCF 1626a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 3255 B10R0.5 CC(C)(C)C(=O)NCCCF 240690a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 3256 B10R0.5 CC(C)(C)C(=O)NCCCF 527a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 3257 B10R0.5 CC(C)(C)C(=O)NCCCO 240690a_100000182051_106744555173 [0,2,0,0,0,0|1,0,0]=3 3258 B10R0.5 CC(C)(C)C(=O)NCCCO 527a_100000182051_106744555173 [0,2,0,0,0,0|1,0,0]=3 3259 B10R0.5 CC(C)(C)C(=O)NNCCO 22a_100000210001_106744555173 [0,2,0,0,0,0|1,0,0]=3 3260 B10R0.5 CC(C)(F)C(=O)CCCCO 1458a_100000765255_100000210776 [0,2,0,0,0,0|2,0,0]=4 3261 B10R0.5 CC(C)(F)C(=O)NCCC#N 11a_100000720768_100000765255 [0,2,0,0,0,0|2,0,0]=4 3262 B10R0.5 CC(C)(F)C(=O)NCCC#N 1626a_100000720768_100000765255 [0,2,0,0,0,0|2,0,0]=4 3263 B10R0.5 CC(C)(F)C(=O)NCCC#N 240690a_100000720768_100000765255 [0,2,0,0,0,0|2,0,0]=4 3264 B10R0.5 CC(C)(F)C(=O)NCCC#N 527a_100000720768_100000765255 [0,2,0,0,0,0|2,0,0]=4 3265 B10R0.5 CC(C)(F)C(=O)NCCCF 11a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 3266 B10R0.5 CC(C)(F)C(=O)NCCCF 1626a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 3267 B10R0.5 CC(C)(F)C(=O)NCCCF 240690a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 3268 B10R0.5 CC(C)(F)C(=O)NCCCF 527a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 3269 B10R0.5 CC(C)(F)C(=O)NCCCO 240690a_100000182051_100000765255 [0,2,0,0,0,0|1,0,0]=3 3270 B10R0.5 CC(C)(F)C(=O)NCCCO 527a_100000182051_100000765255 [0,2,0,0,0,0|1,0,0]=3 3271 B10R0.5 CC(C)(F)C(=O)NNCCO 22a_100000210001_100000765255 [0,2,0,0,0,0|1,0,0]=3 3272 B10R0.5 CC(C)(O)C(=O)CC#CCO 1458a_100000242741_200000047223 [0,2,0,0,0,0|1,0,1]=4 3273 B10R0.5 CC(C)(O)C(=O)CCCC#N 1458a_100000242741_100000211468 [0,2,0,0,0,0|2,0,0]=4 3274 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,2,0,0,0,0|2,0,0]=4 3275 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,2,0,0,0,0|1,0,0]=3 3276 B10R0.5 CC(C)(O)C(=O)NCCC#N 240690a_100000720768_100000242741 [0,2,0,0,0,0|1,0,0]=3 3277 B10R0.5 CC(C)(O)C(=O)NCCCF 240690a_100015189416_100000242741 [0,2,0,0,0,0|1,0,0]=3 3278 B10R0.5 CC(C)(O)C(=O)NCCCO 240690a_100000182051_100000242741 [0,2,0,0,0,0|0,0,0]=2 3279 B10R0.5 CC(C)(O)C(=O)NNCCO 22a_100000210001_100000242741 [0,2,0,0,0,0|0,0,0]=2 3280 B10R0.5 CC(F)(F)C(=O)NCCC#N 11a_100000720768_100000042251 [0,2,0,0,0,0|2,0,0]=4 3281 B10R0.5 CC(F)(F)C(=O)NCCC#N 1626a_100000720768_100000042251 [0,2,0,0,0,0|2,0,0]=4 3282 B10R0.5 CC(F)(F)C(=O)NCCC#N 240690a_100000720768_100000042251 [0,2,0,0,0,0|2,0,0]=4 3283 B10R0.5 CC(F)(F)C(=O)NCCC#N 527a_100000720768_100000042251 [0,2,0,0,0,0|2,0,0]=4 3284 B10R0.5 CC(F)(F)C(=O)NCCCF 11a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 3285 B10R0.5 CC(F)(F)C(=O)NCCCF 1626a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 3286 B10R0.5 CC(F)(F)C(=O)NCCCF 240690a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 3287 B10R0.5 CC(F)(F)C(=O)NCCCF 527a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 3288 B10R0.5 CC(F)(F)C(=O)NCCCO 240690a_100000182051_100000042251 [0,2,0,0,0,0|1,0,0]=3 3289 B10R0.5 CC(F)(F)C(=O)NCCCO 527a_100000182051_100000042251 [0,2,0,0,0,0|1,0,0]=3 3290 B10R0.5 CC(F)(F)C(=O)NNCCO 22a_100000210001_100000042251 [0,2,0,0,0,0|1,0,0]=3 3291 B10R0.5 CC(NCCCO)C(C)(C)O 269862a_100000182051_100000747739 [0,2,0,0,0,0|1,0,1]=4 3292 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|2,0,0]=4 3293 B10R0.5 CCCCNC(=O)C(C)(C)C 11a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 3294 B10R0.5 CCCCNC(=O)C(C)(C)C 1626a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 3295 B10R0.5 CCCCNC(=O)C(C)(C)C 240690a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 3296 B10R0.5 CCCCNC(=O)C(C)(C)C 527a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 3297 B10R0.5 CCCCNC(=O)C(C)(C)F 11a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 3298 B10R0.5 CCCCNC(=O)C(C)(C)F 1626a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 3299 B10R0.5 CCCCNC(=O)C(C)(C)F 240690a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 3300 B10R0.5 CCCCNC(=O)C(C)(C)F 527a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 3301 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,2,0,0,0,0|1,0,0]=3 3302 B10R0.5 CCCCNC(=O)C(C)(F)F 11a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 3303 B10R0.5 CCCCNC(=O)C(C)(F)F 1626a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 3304 B10R0.5 CCCCNC(=O)C(C)(F)F 240690a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 3305 B10R0.5 CCCCNC(=O)C(C)(F)F 527a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 3306 B10R0.5 CCCNN=C(C)C(C)(C)O 4a_100000740057_100000747739 [0,2,0,0,0,0|2,0,0]=4 3307 B10R0.5 CCCNNC(=O)C(C)(C)C 22a_100000740057_106744555173 [0,2,0,0,0,0|2,0,0]=4 3308 B10R0.5 CCCNNC(=O)C(C)(C)F 22a_100000740057_100000765255 [0,2,0,0,0,0|2,0,0]=4 3309 B10R0.5 CCCNNC(=O)C(C)(C)O 22a_100000740057_100000242741 [0,2,0,0,0,0|1,0,0]=3 3310 B10R0.5 CCCNNC(=O)C(C)(F)F 22a_100000740057_100000042251 [0,2,0,0,0,0|2,0,0]=4 3311 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,2,0,0,0,0|2,0,0]=4 3312 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,2,0,0,0,0|2,0,0]=4 3313 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,2,0,0,0,0|2,0,0]=4 3314 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,2,0,0,0,0|2,0,0]=4 3315 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,2,0,0,0,0|1,0,0]=3 3316 B10R0.5 COCCNC(=O)C(C)(C)C 1626a_100000209980_106744555173 [0,2,0,0,0,0|1,0,0]=3 3317 B10R0.5 COCCNC(=O)C(C)(C)C 240690a_100000209980_106744555173 [0,2,0,0,0,0|1,0,0]=3 3318 B10R0.5 COCCNC(=O)C(C)(C)C 527a_100000209980_106744555173 [0,2,0,0,0,0|1,0,0]=3 3319 B10R0.5 COCCNC(=O)C(C)(C)F 1626a_100000209980_100000765255 [0,2,0,0,0,0|1,0,0]=3 3320 B10R0.5 COCCNC(=O)C(C)(C)F 240690a_100000209980_100000765255 [0,2,0,0,0,0|1,0,0]=3 3321 B10R0.5 COCCNC(=O)C(C)(C)F 527a_100000209980_100000765255 [0,2,0,0,0,0|1,0,0]=3 3322 B10R0.5 COCCNC(=O)C(C)(C)O 240690a_100000209980_100000242741 [0,2,0,0,0,0|0,0,0]=2 3323 B10R0.5 COCCNC(=O)C(C)(F)F 1626a_100000209980_100000042251 [0,2,0,0,0,0|1,0,0]=3 3324 B10R0.5 COCCNC(=O)C(C)(F)F 240690a_100000209980_100000042251 [0,2,0,0,0,0|1,0,0]=3 3325 B10R0.5 COCCNC(=O)C(C)(F)F 527a_100000209980_100000042251 [0,2,0,0,0,0|1,0,0]=3 3326 B10R0.5 COCCNC(=O)C(F)(F)F 1626a_100000209980_100015355933 [0,2,0,0,0,0|2,0,0]=4 3327 B10R0.5 COCCNC(=O)C(F)(F)F 240690a_100000209980_100015355933 [0,2,0,0,0,0|2,0,0]=4 3328 B10R0.5 COCCNC(=O)C(F)(F)F 34a_200011215655_200000210301 [0,2,0,0,0,0|2,0,0]=4 3329 B10R0.5 COCCNC(=O)C(F)(F)F 527a_100000209980_100000210220 [0,2,0,0,0,0|2,0,0]=4 3330 B10R0.5 COCCNC(C)C(C)(C)O 269862a_100000209980_100000747739 [0,2,0,0,0,0|1,0,1]=4 3331 B10R0.5 COCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100011201679 [0,2,0,0,0,0|1,0,1]=4 3332 B10R0.5 COCCOC(=O)C(C)(C)Br 34a_100009817195_200000210301 [0,2,0,0,0,0|2,0,0]=4 3333 B10R0.5 COCCOC(=O)C(C)(C)Br 7a_100009817195_200000210301 [0,2,0,0,0,0|2,0,0]=4 3334 B10R0.5 CSCCNC(=O)C(C)(C)C 11a_100020590264_106744555173 [0,2,0,0,0,0|1,1,0]=4 3335 B10R0.5 CSCCNC(=O)C(C)(C)C 1626a_100020590264_106744555173 [0,2,0,0,0,0|1,1,0]=4 3336 B10R0.5 CSCCNC(=O)C(C)(C)C 240690a_100020590264_106744555173 [0,2,0,0,0,0|1,1,0]=4 3337 B10R0.5 CSCCNC(=O)C(C)(C)C 527a_100020590264_106744555173 [0,2,0,0,0,0|1,1,0]=4 3338 B10R0.5 CSCCNC(=O)C(C)(C)F 11a_100020590264_100000765255 [0,2,0,0,0,0|1,1,0]=4 3339 B10R0.5 CSCCNC(=O)C(C)(C)F 1626a_100020590264_100000765255 [0,2,0,0,0,0|1,1,0]=4 3340 B10R0.5 CSCCNC(=O)C(C)(C)F 240690a_100020590264_100000765255 [0,2,0,0,0,0|1,1,0]=4 3341 B10R0.5 CSCCNC(=O)C(C)(C)F 527a_100020590264_100000765255 [0,2,0,0,0,0|1,1,0]=4 3342 B10R0.5 CSCCNC(=O)C(C)(C)O 240690a_100020590264_100000242741 [0,2,0,0,0,0|0,1,0]=3 3343 B10R0.5 CSCCNC(=O)C(C)(F)F 11a_100020590264_100000042251 [0,2,0,0,0,0|1,1,0]=4 3344 B10R0.5 CSCCNC(=O)C(C)(F)F 1626a_100020590264_100000042251 [0,2,0,0,0,0|1,1,0]=4 3345 B10R0.5 CSCCNC(=O)C(C)(F)F 240690a_100020590264_100000042251 [0,2,0,0,0,0|1,1,0]=4 3346 B10R0.5 CSCCNC(=O)C(C)(F)F 527a_100020590264_100000042251 [0,2,0,0,0,0|1,1,0]=4 3347 B10R0.5 C[C@H](NCCCO)C(C)(C)O 2230a_100025708725_100000230001 [0,2,0,0,0,0|1,0,1]=4 3348 B10R0.5 O=C(CNCCO)C(F)(F)F 34a_100016990907_100000002480 [0,2,0,0,0,0|2,0,0]=4 3349 B10R0.5 O=C(NCCCO)C(F)(F)F 240690a_100000182051_100015355933 [0,2,0,0,0,0|2,0,0]=4 3350 B10R0.5 O=C(NCCCO)C(F)(F)F 527a_100000182051_100000210220 [0,2,0,0,0,0|2,0,0]=4 3351 B10R0.5 O=C(NNCCO)C(F)(F)F 22a_100000210001_100015355933 [0,2,0,0,0,0|2,0,0]=4 3352 B10R0.5 [13CH3]OCCNC(=O)C(F)(F)F 34a_200011215655_200025704644 [0,2,0,0,0,0|2,0,0]=4 3353 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCO 240690a_100000182051_200015216371 [0,2,0,0,0,0|2,0,0]=4 3354 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCO 527a_100000182051_200015216371 [0,2,0,0,0,0|2,0,0]=4 3355 B10R0.5 [2H]C([2H])([2H])C(=O)NCCOC 1626a_100000209980_200015216371 [0,2,0,0,0,0|2,0,0]=4 3356 B10R0.5 [2H]C([2H])([2H])C(=O)NCCOC 240690a_100000209980_200015216371 [0,2,0,0,0,0|2,0,0]=4 3357 B10R0.5 [2H]C([2H])([2H])C(=O)NCCOC 527a_100000209980_200015216371 [0,2,0,0,0,0|2,0,0]=4 3358 B10R0.12 C=C(C)CNC(=O)C(C)(C)O 240690a_100000765925_100000242741 [0,2,0,0,0,0|1,0,1]=4 3359 B10R0.12 CC(C)(C)C(=O)NCC(F)F 11a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 3360 B10R0.12 CC(C)(C)C(=O)NCC(F)F 1626a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 3361 B10R0.12 CC(C)(C)C(=O)NCC(F)F 240690a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 3362 B10R0.12 CC(C)(C)C(=O)NCC(F)F 527a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 3363 B10R0.12 CC(C)(F)C(=O)NCC(F)F 11a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 3364 B10R0.12 CC(C)(F)C(=O)NCC(F)F 1626a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 3365 B10R0.12 CC(C)(F)C(=O)NCC(F)F 240690a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 3366 B10R0.12 CC(C)(F)C(=O)NCC(F)F 527a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 3367 B10R0.12 CC(C)(O)C(=O)NCC(=O)N 240690a_100000711301_100000242741 [0,2,0,0,0,0|0,0,2]=4 3368 B10R0.12 CC(C)(O)C(=O)NCC(F)F 240690a_100000765723_100000242741 [0,2,0,0,0,0|1,0,0]=3 3369 B10R0.12 CC(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000210312 [0,2,0,0,0,0|2,0,0]=4 3370 B10R0.12 CC(C)CNC(=O)C(C)(C)C 11a_100000210953_106744555173 [0,2,0,0,0,0|2,0,0]=4 3371 B10R0.12 CC(C)CNC(=O)C(C)(C)C 1626a_100000210953_106744555173 [0,2,0,0,0,0|2,0,0]=4 3372 B10R0.12 CC(C)CNC(=O)C(C)(C)C 240690a_100000210953_106744555173 [0,2,0,0,0,0|2,0,0]=4 3373 B10R0.12 CC(C)CNC(=O)C(C)(C)C 527a_100000210953_106744555173 [0,2,0,0,0,0|2,0,0]=4 3374 B10R0.12 CC(C)CNC(=O)C(C)(C)F 11a_100000210953_100000765255 [0,2,0,0,0,0|2,0,0]=4 3375 B10R0.12 CC(C)CNC(=O)C(C)(C)F 1626a_100000210953_100000765255 [0,2,0,0,0,0|2,0,0]=4 3376 B10R0.12 CC(C)CNC(=O)C(C)(C)F 240690a_100000210953_100000765255 [0,2,0,0,0,0|2,0,0]=4 3377 B10R0.12 CC(C)CNC(=O)C(C)(C)F 527a_100000210953_100000765255 [0,2,0,0,0,0|2,0,0]=4 3378 B10R0.12 CC(C)CNC(=O)C(C)(C)O 240690a_100000210953_100000242741 [0,2,0,0,0,0|1,0,0]=3 3379 B10R0.12 CC(C)CNC(=O)C(C)(F)F 11a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 3380 B10R0.12 CC(C)CNC(=O)C(C)(F)F 1626a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 3381 B10R0.12 CC(C)CNC(=O)C(C)(F)F 240690a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 3382 B10R0.12 CC(C)CNC(=O)C(C)(F)F 527a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 3383 B10R0.12 CC(C)NNC(=O)C(C)(C)O 22a_100000741168_100000242741 [0,2,0,0,0,0|2,0,0]=4 3384 B10R0.12 CC(F)(F)C(=O)NCC(F)F 11a_100000765723_100000042251 [0,2,0,0,0,0|2,0,0]=4 3385 B10R0.12 CC(F)(F)C(=O)NCC(F)F 1626a_100000765723_100000042251 [0,2,0,0,0,0|2,0,0]=4 3386 B10R0.12 CC(F)(F)C(=O)NCC(F)F 240690a_100000765723_100000042251 [0,2,0,0,0,0|2,0,0]=4 3387 B10R0.12 CC(F)(F)C(=O)NCC(F)F 527a_100000765723_100000042251 [0,2,0,0,0,0|2,0,0]=4 3388 B10R0.12 CC(O)CCC(=O)C(C)(C)C 1458a_106744555173_100012276601 [0,2,0,0,0,0|2,0,0]=4 3389 B10R0.12 CC(O)CCC(=O)C(C)(C)F 1458a_100000765255_100012276601 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.12 CC(O)CCC(=O)C(C)(C)O 1458a_100000242741_100012276601 [0,2,0,0,0,0|1,0,0]=3 3391 B10R0.12 CC(O)CNC(=O)C(C)(C)C 11a_100000210904_106744555173 [0,2,0,0,0,0|1,0,0]=3 3392 B10R0.12 CC(O)CNC(=O)C(C)(C)C 240690a_100000210904_106744555173 [0,2,0,0,0,0|1,0,0]=3 3393 B10R0.12 CC(O)CNC(=O)C(C)(C)C 527a_100000210904_106744555173 [0,2,0,0,0,0|1,0,0]=3 3394 B10R0.12 CC(O)CNC(=O)C(C)(C)F 11a_100000210904_100000765255 [0,2,0,0,0,0|1,0,0]=3 3395 B10R0.12 CC(O)CNC(=O)C(C)(C)F 240690a_100000210904_100000765255 [0,2,0,0,0,0|1,0,0]=3 3396 B10R0.12 CC(O)CNC(=O)C(C)(C)F 527a_100000210904_100000765255 [0,2,0,0,0,0|1,0,0]=3 3397 B10R0.12 CC(O)CNC(=O)C(C)(C)O 240690a_100000210904_100000242741 [0,2,0,0,0,0|0,0,0]=2 3398 B10R0.12 CC(O)CNC(=O)C(C)(F)F 11a_100000210904_100000042251 [0,2,0,0,0,0|1,0,0]=3 3399 B10R0.12 CC(O)CNC(=O)C(C)(F)F 240690a_100000210904_100000042251 [0,2,0,0,0,0|1,0,0]=3 3400 B10R0.12 CC(O)CNC(=O)C(C)(F)F 527a_100000210904_100000042251 [0,2,0,0,0,0|1,0,0]=3 3401 B10R0.12 CC(O)CNC(=O)C(F)(F)F 11a_100000210904_100015355933 [0,2,0,0,0,0|2,0,0]=4 3402 B10R0.12 CC(O)CNC(=O)C(F)(F)F 240690a_100000210904_100015355933 [0,2,0,0,0,0|2,0,0]=4 3403 B10R0.12 CC(O)CNC(=O)C(F)(F)F 527a_100000210904_100000210220 [0,2,0,0,0,0|2,0,0]=4 3404 B10R0.12 CC(O)CNC(C)C(C)(C)O 269862a_100000210904_100000747739 [0,2,0,0,0,0|1,0,1]=4 3405 B10R0.12 CC(O)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100011218427 [0,2,0,0,0,0|1,0,1]=4 3406 B10R0.12 C[C@H](NC[C@@H](C)O)C(C)(C)O 2230a_100025708725_100009817552 [0,2,0,0,0,0|1,0,1]=4 3407 B10R0.12 [2H]C([2H])([2H])C(=O)NCC(C)O 11a_100000210904_200015216371 [0,2,0,0,0,0|2,0,0]=4 3408 B10R0.12 [2H]C([2H])([2H])C(=O)NCC(C)O 240690a_100000210904_200015216371 [0,2,0,0,0,0|2,0,0]=4 3409 B10R0.12 [2H]C([2H])([2H])C(=O)NCC(C)O 527a_100000210904_200015216371 [0,2,0,0,0,0|2,0,0]=4 3410 B10R0.40 C#CC(C)(C)C(=O)CCCO 1458a_100000079900_100011215043 [0,2,0,0,0,0|2,0,0]=4 3411 B10R0.40 C#CC(C)(C)C(=O)NCCC 11a_100020643023_100000079900 [0,2,0,0,0,0|2,0,0]=4 3412 B10R0.40 C#CC(C)(C)C(=O)NCCC 1626a_100020643023_100000079900 [0,2,0,0,0,0|2,0,0]=4 3413 B10R0.40 C#CC(C)(C)C(=O)NCCC 240690a_100020643023_100000079900 [0,2,0,0,0,0|2,0,0]=4 3414 B10R0.40 C#CC(C)(C)C(=O)NCCC 527a_100020643023_100000079900 [0,2,0,0,0,0|2,0,0]=4 3415 B10R0.40 C#CC(C)(C)C(=O)NCCF 11a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 3416 B10R0.40 C#CC(C)(C)C(=O)NCCF 1626a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 3417 B10R0.40 C#CC(C)(C)C(=O)NCCF 240690a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 3418 B10R0.40 C#CC(C)(C)C(=O)NCCF 527a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 3419 B10R0.40 C#CC(C)(C)C(=O)NCCO 240690a_100000210304_100000079900 [0,2,0,0,0,0|1,0,0]=3 3420 B10R0.40 C#CC(C)(C)C(=O)NCCO 527a_100000210304_100000079900 [0,2,0,0,0,0|1,0,0]=3 3421 B10R0.40 C#CCNC(=O)C(C)(C)CO 1626a_100000212058_100000749806 [0,2,0,0,0,0|1,0,1]=4 3422 B10R0.40 C#CCNC(=O)C(C)(C)CO 240690a_100000212058_100000749806 [0,2,0,0,0,0|1,0,1]=4 3423 B10R0.40 C#CCNC(=O)C(C)(C)CO 527a_100000212058_100000749806 [0,2,0,0,0,0|1,0,1]=4 3424 B10R0.40 C#CCNC(=O)C(C)(C)OC 11a_100000212058_100000753492 [0,2,0,0,0,0|1,0,1]=4 3425 B10R0.40 C#CCNC(=O)C(C)(C)OC 1626a_100000212058_100000753492 [0,2,0,0,0,0|1,0,1]=4 3426 B10R0.40 C#CCNC(=O)C(C)(C)OC 240690a_100000212058_100000753492 [0,2,0,0,0,0|1,0,1]=4 3427 B10R0.40 C#CCNC(=O)C(C)(C)OC 527a_100000212058_100000753492 [0,2,0,0,0,0|1,0,1]=4 3428 B10R0.40 C#CCNC(=O)C(C)(O)CC 240690a_100000212058_100011219770 [0,2,0,0,0,0|1,0,1]=4 3429 B10R0.40 C=CC(C)(C)C(=O)CCCO 1458a_100012027013_100011215043 [0,2,0,0,0,0|2,0,0]=4 3430 B10R0.40 C=CC(C)(C)C(=O)NCCC 11a_100020643023_100012027013 [0,2,0,0,0,0|2,0,0]=4 3431 B10R0.40 C=CC(C)(C)C(=O)NCCC 1626a_100020643023_100012027013 [0,2,0,0,0,0|2,0,0]=4 3432 B10R0.40 C=CC(C)(C)C(=O)NCCC 240690a_100020643023_100012027013 [0,2,0,0,0,0|2,0,0]=4 3433 B10R0.40 C=CC(C)(C)C(=O)NCCC 527a_100020643023_100012027013 [0,2,0,0,0,0|2,0,0]=4 3434 B10R0.40 C=CC(C)(C)C(=O)NCCF 11a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 3435 B10R0.40 C=CC(C)(C)C(=O)NCCF 1626a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 3436 B10R0.40 C=CC(C)(C)C(=O)NCCF 240690a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 3437 B10R0.40 C=CC(C)(C)C(=O)NCCF 527a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 3438 B10R0.40 C=CC(C)(C)C(=O)NCCO 240690a_100000210304_100012027013 [0,2,0,0,0,0|1,0,0]=3 3439 B10R0.40 C=CC(C)(C)C(=O)NCCO 527a_100000210304_100012027013 [0,2,0,0,0,0|1,0,0]=3 3440 B10R0.40 C=CCNC(=O)C(C)(C)CO 1626a_100020586998_100000749806 [0,2,0,0,0,0|1,0,1]=4 3441 B10R0.40 C=CCNC(=O)C(C)(C)CO 240690a_100020586998_100000749806 [0,2,0,0,0,0|1,0,1]=4 3442 B10R0.40 C=CCNC(=O)C(C)(C)CO 527a_100020586998_100000749806 [0,2,0,0,0,0|1,0,1]=4 3443 B10R0.40 C=CCNC(=O)C(C)(C)OC 1626a_100020586998_100000753492 [0,2,0,0,0,0|1,0,1]=4 3444 B10R0.40 C=CCNC(=O)C(C)(C)OC 240690a_100020586998_100000753492 [0,2,0,0,0,0|1,0,1]=4 3445 B10R0.40 C=CCNC(=O)C(C)(C)OC 527a_100020586998_100000753492 [0,2,0,0,0,0|1,0,1]=4 3446 B10R0.40 C=CCNC(=O)C(C)(O)CC 240690a_100020586998_100011219770 [0,2,0,0,0,0|1,0,1]=4 3447 B10R0.40 CC(C)(C#N)C(=O)CCCO 1458a_100000740761_100011215043 [0,2,0,0,0,0|2,0,0]=4 3448 B10R0.40 CC(C)(C#N)C(=O)NCCF 11a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 3449 B10R0.40 CC(C)(C#N)C(=O)NCCF 1626a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 3450 B10R0.40 CC(C)(C#N)C(=O)NCCF 240690a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 3451 B10R0.40 CC(C)(C#N)C(=O)NCCF 527a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 3452 B10R0.40 CC(C)(C#N)C(=O)NCCO 240690a_100000210304_100000740761 [0,2,0,0,0,0|1,0,0]=3 3453 B10R0.40 CC(C)(C#N)C(=O)NCCO 527a_100000210304_100000740761 [0,2,0,0,0,0|1,0,0]=3 3454 B10R0.40 CC(C)(CF)C(=O)CCCO 1458a_100000138116_100011215043 [0,2,0,0,0,0|2,0,0]=4 3455 B10R0.40 CC(C)(CF)C(=O)NCCF 11a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.40 CC(C)(CF)C(=O)NCCF 1626a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.40 CC(C)(CF)C(=O)NCCF 240690a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 3458 B10R0.40 CC(C)(CF)C(=O)NCCF 527a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.40 CC(C)(CF)C(=O)NCCO 240690a_100000210304_100000138116 [0,2,0,0,0,0|1,0,0]=3 3460 B10R0.40 CC(C)(CF)C(=O)NCCO 527a_100000210304_100000138116 [0,2,0,0,0,0|1,0,0]=3 3461 B10R0.40 CC(C)(CO)C(=O)CCCF 1458a_100000749806_100011934791 [0,2,0,0,0,0|2,0,0]=4 3462 B10R0.40 CC(C)(CO)C(=O)CCCO 1458a_100000749806_100011215043 [0,2,0,0,0,0|1,0,0]=3 3463 B10R0.40 CC(C)(CO)C(=O)NCC#N 1626a_100000734998_100000749806 [0,2,0,0,0,0|1,0,1]=4 3464 B10R0.40 CC(C)(CO)C(=O)NCC#N 527a_100000734998_100000749806 [0,2,0,0,0,0|1,0,1]=4 3465 B10R0.40 CC(C)(CO)C(=O)NCCF 1626a_100000724931_100000749806 [0,2,0,0,0,0|1,0,0]=3 3466 B10R0.40 CC(C)(CO)C(=O)NCCF 240690a_100000724931_100000749806 [0,2,0,0,0,0|1,0,0]=3 3467 B10R0.40 CC(C)(CO)C(=O)NCCF 527a_100000724931_100000749806 [0,2,0,0,0,0|1,0,0]=3 3468 B10R0.40 CC(C)(CO)C(=O)NCCO 240690a_100000210304_100000749806 [0,2,0,0,0,0|0,0,0]=2 3469 B10R0.40 CC(C)(CO)C(=O)NCCO 527a_100000210304_100000749806 [0,2,0,0,0,0|0,0,0]=2 3470 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_100009817195_200025704644 [0,2,0,0,0,0|1,1,0]=4 3471 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_200025704644_100009817195 [0,2,0,0,0,0|1,1,0]=4 3472 B10R0.40 CCC(C)(C)C(=O)CCCO 1458a_100000749717_100011215043 [0,2,0,0,0,0|2,0,0]=4 3473 B10R0.40 CCC(C)(C)C(=O)NCCF 11a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 3474 B10R0.40 CCC(C)(C)C(=O)NCCF 1626a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 3475 B10R0.40 CCC(C)(C)C(=O)NCCF 240690a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 3476 B10R0.40 CCC(C)(C)C(=O)NCCF 527a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 3477 B10R0.40 CCC(C)(C)C(=O)NCCO 240690a_100000210304_100000749717 [0,2,0,0,0,0|1,0,0]=3 3478 B10R0.40 CCC(C)(C)C(=O)NCCO 527a_100000210304_100000749717 [0,2,0,0,0,0|1,0,0]=3 3479 B10R0.40 CCC(C)(O)C(=O)CCCF 1458a_100011219770_100011934791 [0,2,0,0,0,0|2,0,0]=4 3480 B10R0.40 CCC(C)(O)C(=O)CCCO 1458a_100011219770_100011215043 [0,2,0,0,0,0|1,0,0]=3 3481 B10R0.40 CCC(C)(O)C(=O)NCCF 240690a_100000724931_100011219770 [0,2,0,0,0,0|1,0,0]=3 3482 B10R0.40 CCC(C)(O)C(=O)NCCO 240690a_100000210304_100011219770 [0,2,0,0,0,0|0,0,0]=2 3483 B10R0.40 CCC(F)(F)C(=O)CCCO 1458a_100000061896_100011215043 [0,2,0,0,0,0|2,0,0]=4 3484 B10R0.40 CCC(F)(F)C(=O)NCCF 11a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 3485 B10R0.40 CCC(F)(F)C(=O)NCCF 1626a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 3486 B10R0.40 CCC(F)(F)C(=O)NCCF 240690a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 3487 B10R0.40 CCC(F)(F)C(=O)NCCF 527a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 3488 B10R0.40 CCC(F)(F)C(=O)NCCO 240690a_100000210304_100000061896 [0,2,0,0,0,0|1,0,0]=3 3489 B10R0.40 CCC(F)(F)C(=O)NCCO 527a_100000210304_100000061896 [0,2,0,0,0,0|1,0,0]=3 3490 B10R0.40 CCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210211 [0,2,0,0,0,0|2,0,0]=4 3491 B10R0.40 CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210211 [0,2,0,0,0,0|2,0,0]=4 3492 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|2,0,0]=4 3493 B10R0.40 CCCNC(=O)C(C)(C)C#N 11a_100020643023_100000740761 [0,2,0,0,0,0|2,0,0]=4 3494 B10R0.40 CCCNC(=O)C(C)(C)C#N 1626a_100020643023_100000740761 [0,2,0,0,0,0|2,0,0]=4 3495 B10R0.40 CCCNC(=O)C(C)(C)C#N 240690a_100020643023_100000740761 [0,2,0,0,0,0|2,0,0]=4 3496 B10R0.40 CCCNC(=O)C(C)(C)C#N 527a_100020643023_100000740761 [0,2,0,0,0,0|2,0,0]=4 3497 B10R0.40 CCCNC(=O)C(C)(C)CC 11a_100020643023_100000749717 [0,2,0,0,0,0|2,0,0]=4 3498 B10R0.40 CCCNC(=O)C(C)(C)CC 1626a_100020643023_100000749717 [0,2,0,0,0,0|2,0,0]=4 3499 B10R0.40 CCCNC(=O)C(C)(C)CC 240690a_100020643023_100000749717 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.40 CCCNC(=O)C(C)(C)CC 527a_100020643023_100000749717 [0,2,0,0,0,0|2,0,0]=4 3501 B10R0.40 CCCNC(=O)C(C)(C)CF 11a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 3502 B10R0.40 CCCNC(=O)C(C)(C)CF 1626a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 3503 B10R0.40 CCCNC(=O)C(C)(C)CF 240690a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 3504 B10R0.40 CCCNC(=O)C(C)(C)CF 527a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 3505 B10R0.40 CCCNC(=O)C(C)(C)CO 1626a_100020643023_100000749806 [0,2,0,0,0,0|1,0,0]=3 3506 B10R0.40 CCCNC(=O)C(C)(C)CO 240690a_100020643023_100000749806 [0,2,0,0,0,0|1,0,0]=3 3507 B10R0.40 CCCNC(=O)C(C)(C)CO 527a_100020643023_100000749806 [0,2,0,0,0,0|1,0,0]=3 3508 B10R0.40 CCCNC(=O)C(C)(C)OC 11a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 3509 B10R0.40 CCCNC(=O)C(C)(C)OC 1626a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 3510 B10R0.40 CCCNC(=O)C(C)(C)OC 240690a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 3511 B10R0.40 CCCNC(=O)C(C)(C)OC 527a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 3512 B10R0.40 CCCNC(=O)C(C)(O)CC 240690a_100020643023_100011219770 [0,2,0,0,0,0|1,0,0]=3 3513 B10R0.40 CCCNC(=O)C(F)(F)CC 11a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 3514 B10R0.40 CCCNC(=O)C(F)(F)CC 1626a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 3515 B10R0.40 CCCNC(=O)C(F)(F)CC 240690a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 3516 B10R0.40 CCCNC(=O)C(F)(F)CC 527a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 3517 B10R0.40 CCNNC(=O)C(C)(C)CO 22a_100000756455_100000749806 [0,2,0,0,0,0|2,0,0]=4 3518 B10R0.40 CCNNC(=O)C(C)(C)OC 22a_100000756455_100000753492 [0,2,0,0,0,0|2,0,0]=4 3519 B10R0.40 CCNNC(=O)C(C)(O)CC 22a_100000756455_100011219770 [0,2,0,0,0,0|2,0,0]=4 3520 B10R0.40 CNC(C)(C)C(=O)OCCO 2230a_106832991635_100009817195 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.40 CNC(C)(C)C(=O)OCCO 34a_100102657272_100009817195 [0,2,0,0,0,0|2,0,0]=4 3522 B10R0.40 CNC(C)(C)C(=O)OCCO 7a_106832991635_100009817195 [0,2,0,0,0,0|2,0,0]=4 3523 B10R0.40 COC(C)(C)C(=O)CCCF 1458a_100000753492_100011934791 [0,2,0,0,0,0|2,0,0]=4 3524 B10R0.40 COC(C)(C)C(=O)CCCO 1458a_100000753492_100011215043 [0,2,0,0,0,0|1,0,0]=3 3525 B10R0.40 COC(C)(C)C(=O)NCC#N 1626a_100000734998_100000753492 [0,2,0,0,0,0|1,0,1]=4 3526 B10R0.40 COC(C)(C)C(=O)NCC#N 527a_100000734998_100000753492 [0,2,0,0,0,0|1,0,1]=4 3527 B10R0.40 COC(C)(C)C(=O)NCCF 11a_100000724931_100000753492 [0,2,0,0,0,0|1,0,0]=3 3528 B10R0.40 COC(C)(C)C(=O)NCCF 1626a_100000724931_100000753492 [0,2,0,0,0,0|1,0,0]=3 3529 B10R0.40 COC(C)(C)C(=O)NCCF 240690a_100000724931_100000753492 [0,2,0,0,0,0|1,0,0]=3 3530 B10R0.40 COC(C)(C)C(=O)NCCF 527a_100000724931_100000753492 [0,2,0,0,0,0|1,0,0]=3 3531 B10R0.40 COC(C)(C)C(=O)NCCO 240690a_100000210304_100000753492 [0,2,0,0,0,0|0,0,0]=2 3532 B10R0.40 COC(C)(C)C(=O)NCCO 527a_100000210304_100000753492 [0,2,0,0,0,0|0,0,0]=2 3533 B10R0.40 COC(C)(C)C(=O)OCCO 34a_100138415774_100009817195 [0,2,0,0,0,0|1,0,0]=3 3534 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_100009817195_200000210301 [0,2,0,0,0,0|1,1,0]=4 3535 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_200000210301_100009817195 [0,2,0,0,0,0|1,1,0]=4 3536 B10R0.52 C#CC(C)NC(=O)C(C)(C)O 240690a_100000707721_100000242741 [0,2,0,0,0,0|1,0,1]=4 3537 B10R0.52 CC(CO)N[C@@H](C)C(C)(C)O 2230a_100025708725_100012180447 [0,2,0,0,0,0|1,0,1]=4 3538 B10R0.52 CC(N[C@H](C)CO)C(C)(C)O 269862a_100000737577_100000747739 [0,2,0,0,0,0|1,0,1]=4 3539 B10R0.52 CCC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748023 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.52 CCC(C)NC(=O)C(C)(C)C 11a_100000209981_106744555173 [0,2,0,0,0,0|2,0,0]=4 3541 B10R0.52 CCC(C)NC(=O)C(C)(C)C 1626a_100000209981_106744555173 [0,2,0,0,0,0|2,0,0]=4 3542 B10R0.52 CCC(C)NC(=O)C(C)(C)C 240690a_100000209981_106744555173 [0,2,0,0,0,0|2,0,0]=4 3543 B10R0.52 CCC(C)NC(=O)C(C)(C)C 527a_100000209981_106744555173 [0,2,0,0,0,0|2,0,0]=4 3544 B10R0.52 CCC(C)NC(=O)C(C)(C)F 11a_100000209981_100000765255 [0,2,0,0,0,0|2,0,0]=4 3545 B10R0.52 CCC(C)NC(=O)C(C)(C)F 1626a_100000209981_100000765255 [0,2,0,0,0,0|2,0,0]=4 3546 B10R0.52 CCC(C)NC(=O)C(C)(C)F 240690a_100000209981_100000765255 [0,2,0,0,0,0|2,0,0]=4 3547 B10R0.52 CCC(C)NC(=O)C(C)(C)F 527a_100000209981_100000765255 [0,2,0,0,0,0|2,0,0]=4 3548 B10R0.52 CCC(C)NC(=O)C(C)(C)O 240690a_100000209981_100000242741 [0,2,0,0,0,0|1,0,0]=3 3549 B10R0.52 CCC(C)NC(=O)C(C)(F)F 11a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 3550 B10R0.52 CCC(C)NC(=O)C(C)(F)F 1626a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.52 CCC(C)NC(=O)C(C)(F)F 240690a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.52 CCC(C)NC(=O)C(C)(F)F 527a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.52 CCC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218378 [0,2,0,0,0,0|2,0,0]=4 3554 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)O 1458a_100000242741_100009816398 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.52 C[C@@H](CO)CC(=O)C(C)(C)C 1458a_106744555173_100000059175 [0,2,0,0,0,0|2,0,0]=4 3556 B10R0.52 C[C@@H](CO)CC(=O)C(C)(C)F 1458a_100000765255_100000059175 [0,2,0,0,0,0|2,0,0]=4 3557 B10R0.52 C[C@@H](CO)CC(=O)C(C)(C)O 1458a_100000242741_100000059175 [0,2,0,0,0,0|1,0,0]=3 3558 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 11a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 3559 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 1626a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 3560 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 240690a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 3561 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 527a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 3562 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 11a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 3563 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 1626a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 3564 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 240690a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 3565 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 527a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)O 240690a_100102880703_100000242741 [0,2,0,0,0,0|1,0,0]=3 3567 B10R0.52 C[C@H](CF)NC(=O)C(C)(F)F 11a_100102880703_100000042251 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.52 C[C@H](CF)NC(=O)C(C)(F)F 1626a_100102880703_100000042251 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.52 C[C@H](CF)NC(=O)C(C)(F)F 240690a_100102880703_100000042251 [0,2,0,0,0,0|2,0,0]=4 3570 B10R0.52 C[C@H](CF)NC(=O)C(C)(F)F 527a_100102880703_100000042251 [0,2,0,0,0,0|2,0,0]=4 3571 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)C 240690a_100000737577_106744555173 [0,2,0,0,0,0|1,0,0]=3 3572 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)C 527a_100000737577_106744555173 [0,2,0,0,0,0|1,0,0]=3 3573 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)F 240690a_100000737577_100000765255 [0,2,0,0,0,0|1,0,0]=3 3574 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)F 527a_100000737577_100000765255 [0,2,0,0,0,0|1,0,0]=3 3575 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)O 240690a_100000737577_100000242741 [0,2,0,0,0,0|0,0,0]=2 3576 B10R0.52 C[C@H](CO)NC(=O)C(C)(F)F 240690a_100000737577_100000042251 [0,2,0,0,0,0|1,0,0]=3 3577 B10R0.52 C[C@H](CO)NC(=O)C(C)(F)F 527a_100000737577_100000042251 [0,2,0,0,0,0|1,0,0]=3 3578 B10R0.52 C[C@H](CO)NC(=O)C(F)(F)F 240690a_100000737577_100015355933 [0,2,0,0,0,0|2,0,0]=4 3579 B10R0.52 C[C@H](CO)NC(=O)C(F)(F)F 527a_100000737577_100000210220 [0,2,0,0,0,0|2,0,0]=4 3580 B10R0.52 [2H]C([2H])([2H])C(=O)N[C@H](C)CO 240690a_100000737577_200015216371 [0,2,0,0,0,0|2,0,0]=4 3581 B10R0.52 [2H]C([2H])([2H])C(=O)N[C@H](C)CO 527a_100000737577_200015216371 [0,2,0,0,0,0|2,0,0]=4 3582 B10R0.100 C=CCN(C)C(=O)C(C)(C)O 240690a_100000225617_100000242741 [0,2,0,0,0,0|1,0,1]=4 3583 B10R0.100 CC(CCO)C(=O)C(C)(C)C 1458a_106744555173_100009893172 [0,2,0,0,0,0|2,0,0]=4 3584 B10R0.100 CC(CCO)C(=O)C(C)(C)F 1458a_100000765255_100009893172 [0,2,0,0,0,0|2,0,0]=4 3585 B10R0.100 CC(CCO)C(=O)C(C)(C)O 1458a_100000242741_100009893172 [0,2,0,0,0,0|1,0,0]=3 3586 B10R0.100 CCCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000766640 [0,2,0,0,0,0|2,0,0]=4 3587 B10R0.100 CCCN(C)C(=O)C(C)(C)C 11a_100000747261_106744555173 [0,2,0,0,0,0|2,0,0]=4 3588 B10R0.100 CCCN(C)C(=O)C(C)(C)C 1626a_100000747261_106744555173 [0,2,0,0,0,0|2,0,0]=4 3589 B10R0.100 CCCN(C)C(=O)C(C)(C)C 240690a_100000747261_106744555173 [0,2,0,0,0,0|2,0,0]=4 3590 B10R0.100 CCCN(C)C(=O)C(C)(C)C 527a_100000747261_106744555173 [0,2,0,0,0,0|2,0,0]=4 3591 B10R0.100 CCCN(C)C(=O)C(C)(C)F 11a_100000747261_100000765255 [0,2,0,0,0,0|2,0,0]=4 3592 B10R0.100 CCCN(C)C(=O)C(C)(C)F 1626a_100000747261_100000765255 [0,2,0,0,0,0|2,0,0]=4 3593 B10R0.100 CCCN(C)C(=O)C(C)(C)F 240690a_100000747261_100000765255 [0,2,0,0,0,0|2,0,0]=4 3594 B10R0.100 CCCN(C)C(=O)C(C)(C)F 527a_100000747261_100000765255 [0,2,0,0,0,0|2,0,0]=4 3595 B10R0.100 CCCN(C)C(=O)C(C)(C)O 240690a_100000747261_100000242741 [0,2,0,0,0,0|1,0,0]=3 3596 B10R0.100 CCCN(C)C(=O)C(C)(F)F 11a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 3597 B10R0.100 CCCN(C)C(=O)C(C)(F)F 1626a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 3598 B10R0.100 CCCN(C)C(=O)C(C)(F)F 240690a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 3599 B10R0.100 CCCN(C)C(=O)C(C)(F)F 527a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 3600 B10R0.100 CN(CCO)C(=O)C(C)(C)C 240690a_100000210263_106744555173 [0,2,0,0,0,0|1,0,0]=3 3601 B10R0.100 CN(CCO)C(=O)C(C)(C)C 527a_100000210263_106744555173 [0,2,0,0,0,0|1,0,0]=3 3602 B10R0.100 CN(CCO)C(=O)C(C)(C)F 240690a_100000210263_100000765255 [0,2,0,0,0,0|1,0,0]=3 3603 B10R0.100 CN(CCO)C(=O)C(C)(C)F 527a_100000210263_100000765255 [0,2,0,0,0,0|1,0,0]=3 3604 B10R0.100 CN(CCO)C(=O)C(C)(C)O 240690a_100000210263_100000242741 [0,2,0,0,0,0|0,0,0]=2 3605 B10R0.100 CN(CCO)C(=O)C(C)(F)F 240690a_100000210263_100000042251 [0,2,0,0,0,0|1,0,0]=3 3606 B10R0.100 CN(CCO)C(=O)C(C)(F)F 527a_100000210263_100000042251 [0,2,0,0,0,0|1,0,0]=3 3607 B10R0.100 CN(CCO)C(=O)C(F)(F)F 240690a_100000210263_100015355933 [0,2,0,0,0,0|2,0,0]=4 3608 B10R0.100 CN(CCO)C(=O)C(F)(F)F 527a_100000210263_100000210220 [0,2,0,0,0,0|2,0,0]=4 3609 B10R0.100 [2H]C([2H])([2H])C(=O)N(C)CCO 240690a_100000210263_200015216371 [0,2,0,0,0,0|2,0,0]=4 3610 B10R0.100 [2H]C([2H])([2H])C(=O)N(C)CCO 527a_100000210263_200015216371 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.13 C=C(C)CN(C)C(=O)[C@H](C)O 1626a_100000225649_217856618621 [0,2,0,0,0,0|1,0,1]=4 3612 B10R0.13 CC(C)CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000731052 [0,2,0,0,0,0|2,0,0]=4 3613 B10R0.13 CC(C)CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000731052 [0,2,0,0,0,0|2,0,0]=4 3614 B10R0.13 CC(C)CN(C)C(=O)C(C)C 11a_100000747067_100000210198 [0,2,0,0,0,0|2,0,0]=4 3615 B10R0.13 CC(C)CN(C)C(=O)C(C)C 1626a_100000747067_100000210198 [0,2,0,0,0,0|2,0,0]=4 3616 B10R0.13 CC(C)CN(C)C(=O)C(C)C 240690a_100000747067_100000210198 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.13 CC(C)CN(C)C(=O)C(C)C 527a_100000747067_100000210198 [0,2,0,0,0,0|2,0,0]=4 3618 B10R0.13 CC(C)CN(C)C(=O)C(C)F 11a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 3619 B10R0.13 CC(C)CN(C)C(=O)C(C)F 1626a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 3620 B10R0.13 CC(C)CN(C)C(=O)C(C)F 240690a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 3621 B10R0.13 CC(C)CN(C)C(=O)C(C)F 527a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.13 CC(C)CN(C)C(=O)C(O)O 240690a_100000747067_100000233687 [0,2,0,0,0,0|2,0,0]=4 3623 B10R0.13 CC(C)CN(C)C(=O)[C@@H](C)O 240690a_100000747067_100000717761 [0,2,0,0,0,0|1,0,0]=3 3624 B10R0.13 CC(C)CN(C)C(=O)[C@H](C)O 1626a_100000747067_217856618621 [0,2,0,0,0,0|1,0,0]=3 3625 B10R0.13 CC(C)CN(C)C(=O)[C@H](C)O 240690a_100000747067_217856618621 [0,2,0,0,0,0|1,0,0]=3 3626 B10R0.13 CC(O)CN(C)C(=O)C(C)C 240690a_100000227577_100000210198 [0,2,0,0,0,0|1,0,0]=3 3627 B10R0.13 CC(O)CN(C)C(=O)C(C)C 527a_100000227577_100000210198 [0,2,0,0,0,0|1,0,0]=3 3628 B10R0.13 CC(O)CN(C)C(=O)C(C)F 240690a_100000227577_100000062450 [0,2,0,0,0,0|1,0,0]=3 3629 B10R0.13 CC(O)CN(C)C(=O)C(C)F 527a_100000227577_100000062450 [0,2,0,0,0,0|1,0,0]=3 3630 B10R0.13 CC(O)CN(C)C(=O)C(F)F 240690a_100000227577_100000210393 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.13 CC(O)CN(C)C(=O)C(F)F 527a_100000227577_100000210393 [0,2,0,0,0,0|2,0,0]=4 3632 B10R0.13 CC(O)CN(C)C(=O)C(O)O 240690a_100000227577_100000233687 [0,2,0,0,0,0|1,0,0]=3 3633 B10R0.13 CC(O)CN(C)C(=O)[C@@H](C)O 240690a_100000227577_100000717761 [0,2,0,0,0,0|0,0,0]=2 3634 B10R0.13 CC(O)CN(C)C(=O)[C@H](C)O 240690a_100000227577_217856618621 [0,2,0,0,0,0|0,0,0]=2 3635 B10R0.25 C#CCN(CC)C(=O)[C@@H](C)O 240690a_100000744766_100000717761 [0,2,0,0,0,0|1,0,1]=4 3636 B10R0.25 C#CCN(CC)C(=O)[C@H](C)O 1626a_100000744766_217856618621 [0,2,0,0,0,0|1,0,1]=4 3637 B10R0.25 C#CCN(CC)C(=O)[C@H](C)O 240690a_100000744766_217856618621 [0,2,0,0,0,0|1,0,1]=4 3638 B10R0.25 CCCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100011219200 [0,2,0,0,0,0|2,0,0]=4 3639 B10R0.25 CCCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100011219200 [0,2,0,0,0,0|2,0,0]=4 3640 B10R0.25 CCCN(CC)C(=O)C(C)C 11a_100000226822_100000210198 [0,2,0,0,0,0|2,0,0]=4 3641 B10R0.25 CCCN(CC)C(=O)C(C)C 1626a_100000226822_100000210198 [0,2,0,0,0,0|2,0,0]=4 3642 B10R0.25 CCCN(CC)C(=O)C(C)C 240690a_100000226822_100000210198 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.25 CCCN(CC)C(=O)C(C)C 527a_100000226822_100000210198 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.25 CCCN(CC)C(=O)C(C)F 11a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 3645 B10R0.25 CCCN(CC)C(=O)C(C)F 1626a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 3646 B10R0.25 CCCN(CC)C(=O)C(C)F 240690a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.25 CCCN(CC)C(=O)C(C)F 527a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.25 CCCN(CC)C(=O)C(O)O 240690a_100000226822_100000233687 [0,2,0,0,0,0|2,0,0]=4 3649 B10R0.25 CCCN(CC)C(=O)[C@@H](C)O 240690a_100000226822_100000717761 [0,2,0,0,0,0|1,0,0]=3 3650 B10R0.25 CCCN(CC)C(=O)[C@H](C)O 1626a_100000226822_217856618621 [0,2,0,0,0,0|1,0,0]=3 3651 B10R0.25 CCCN(CC)C(=O)[C@H](C)O 240690a_100000226822_217856618621 [0,2,0,0,0,0|1,0,0]=3 3652 B10R0.25 CCN(CCO)C(=O)C(C)C 240690a_100000210973_100000210198 [0,2,0,0,0,0|1,0,0]=3 3653 B10R0.25 CCN(CCO)C(=O)C(C)C 527a_100000210973_100000210198 [0,2,0,0,0,0|1,0,0]=3 3654 B10R0.25 CCN(CCO)C(=O)C(C)F 240690a_100000210973_100000062450 [0,2,0,0,0,0|1,0,0]=3 3655 B10R0.25 CCN(CCO)C(=O)C(C)F 527a_100000210973_100000062450 [0,2,0,0,0,0|1,0,0]=3 3656 B10R0.25 CCN(CCO)C(=O)C(F)F 240690a_100000210973_100000210393 [0,2,0,0,0,0|2,0,0]=4 3657 B10R0.25 CCN(CCO)C(=O)C(F)F 527a_100000210973_100000210393 [0,2,0,0,0,0|2,0,0]=4 3658 B10R0.25 CCN(CCO)C(=O)C(O)O 240690a_100000210973_100000233687 [0,2,0,0,0,0|1,0,0]=3 3659 B10R0.25 CCN(CCO)C(=O)[C@@H](C)O 240690a_100000210973_100000717761 [0,2,0,0,0,0|0,0,0]=2 3660 B10R0.25 CCN(CCO)C(=O)[C@H](C)O 240690a_100000210973_217856618621 [0,2,0,0,0,0|0,0,0]=2 3661 B10R0.35 C#CCN(C)C(=O)C(C)OC 11a_100000225692_100000743197 [0,2,0,0,0,0|1,0,1]=4 3662 B10R0.35 C#CCN(C)C(=O)C(C)OC 1626a_100000225692_100000743197 [0,2,0,0,0,0|1,0,1]=4 3663 B10R0.35 C#CCN(C)C(=O)C(C)OC 527a_100000225692_100000743197 [0,2,0,0,0,0|1,0,1]=4 3664 B10R0.35 C=CC(C)C(=O)C(C)CCO 1458a_100011216780_100009893172 [0,2,0,0,0,0|2,0,0]=4 3665 B10R0.35 C=CC(C)C(=O)N(C)CCC 11a_100000747261_100011216780 [0,2,0,0,0,0|2,0,0]=4 3666 B10R0.35 C=CC(C)C(=O)N(C)CCC 1626a_100000747261_100011216780 [0,2,0,0,0,0|2,0,0]=4 3667 B10R0.35 C=CC(C)C(=O)N(C)CCC 240690a_100000747261_100011216780 [0,2,0,0,0,0|2,0,0]=4 3668 B10R0.35 C=CC(C)C(=O)N(C)CCC 527a_100000747261_100011216780 [0,2,0,0,0,0|2,0,0]=4 3669 B10R0.35 C=CC(C)C(=O)N(C)CCO 240690a_100000210263_100011216780 [0,2,0,0,0,0|1,0,0]=3 3670 B10R0.35 C=CC(C)C(=O)N(C)CCO 527a_100000210263_100011216780 [0,2,0,0,0,0|1,0,0]=3 3671 B10R0.35 C=CCN(C)C(=O)C(C)OC 11a_100000225617_100000743197 [0,2,0,0,0,0|1,0,1]=4 3672 B10R0.35 C=CCN(C)C(=O)C(C)OC 1626a_100000225617_100000743197 [0,2,0,0,0,0|1,0,1]=4 3673 B10R0.35 C=CCN(C)C(=O)C(C)OC 240690a_100000225617_100000743197 [0,2,0,0,0,0|1,0,1]=4 3674 B10R0.35 C=CCN(C)C(=O)C(C)OC 527a_100000225617_100000743197 [0,2,0,0,0,0|1,0,1]=4 3675 B10R0.35 C=CCN(C)C(=O)C(O)CC 240690a_100000225617_100011196387 [0,2,0,0,0,0|1,0,1]=4 3676 B10R0.35 C=CCN(C)C(=O)C(O)CO 240690a_100000225617_100011215603 [0,2,0,0,0,0|1,0,1]=4 3677 B10R0.35 CC(C#N)C(=O)C(C)CCO 1458a_100000753662_100009893172 [0,2,0,0,0,0|2,0,0]=4 3678 B10R0.35 CC(C#N)C(=O)N(C)CCO 240690a_100000210263_100000753662 [0,2,0,0,0,0|1,0,0]=3 3679 B10R0.35 CC(C#N)C(=O)N(C)CCO 527a_100000210263_100000753662 [0,2,0,0,0,0|1,0,0]=3 3680 B10R0.35 CC(CCO)C(=O)C(O)CO 1458a_100011215603_100009893172 [0,2,0,0,0,0|1,0,0]=3 3681 B10R0.35 CCC(C)C(=O)C(C)CCO 1458a_100011192722_100009893172 [0,2,0,0,0,0|2,0,0]=4 3682 B10R0.35 CCC(C)C(=O)N(C)CCO 240690a_100000210263_100011192722 [0,2,0,0,0,0|1,0,0]=3 3683 B10R0.35 CCC(C)C(=O)N(C)CCO 527a_100000210263_100011192722 [0,2,0,0,0,0|1,0,0]=3 3684 B10R0.35 CCC(O)C(=O)C(C)CCO 1458a_100011196387_100009893172 [0,2,0,0,0,0|1,0,0]=3 3685 B10R0.35 CCC(O)C(=O)N(C)CCO 240690a_100000210263_100011196387 [0,2,0,0,0,0|0,0,0]=2 3686 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,2,0,0,0,0|2,0,0]=4 3687 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|2,0,0]=4 3688 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,2,0,0,0,0|2,0,0]=4 3689 B10R0.35 CCCN(C)C(=O)C(C)C#N 11a_100000747261_100000753662 [0,2,0,0,0,0|2,0,0]=4 3690 B10R0.35 CCCN(C)C(=O)C(C)C#N 1626a_100000747261_100000753662 [0,2,0,0,0,0|2,0,0]=4 3691 B10R0.35 CCCN(C)C(=O)C(C)C#N 240690a_100000747261_100000753662 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.35 CCCN(C)C(=O)C(C)C#N 527a_100000747261_100000753662 [0,2,0,0,0,0|2,0,0]=4 3693 B10R0.35 CCCN(C)C(=O)C(C)CC 11a_100000747261_100011192722 [0,2,0,0,0,0|2,0,0]=4 3694 B10R0.35 CCCN(C)C(=O)C(C)CC 1626a_100000747261_100011192722 [0,2,0,0,0,0|2,0,0]=4 3695 B10R0.35 CCCN(C)C(=O)C(C)CC 240690a_100000747261_100011192722 [0,2,0,0,0,0|2,0,0]=4 3696 B10R0.35 CCCN(C)C(=O)C(C)CC 527a_100000747261_100011192722 [0,2,0,0,0,0|2,0,0]=4 3697 B10R0.35 CCCN(C)C(=O)C(C)OC 11a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 3698 B10R0.35 CCCN(C)C(=O)C(C)OC 1626a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 3699 B10R0.35 CCCN(C)C(=O)C(C)OC 240690a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 3700 B10R0.35 CCCN(C)C(=O)C(C)OC 527a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 3701 B10R0.35 CCCN(C)C(=O)C(C)SC 11a_100000747261_100000149566 [0,2,0,0,0,0|1,1,0]=4 3702 B10R0.35 CCCN(C)C(=O)C(C)SC 1626a_100000747261_100000149566 [0,2,0,0,0,0|1,1,0]=4 3703 B10R0.35 CCCN(C)C(=O)C(C)SC 240690a_100000747261_100000149566 [0,2,0,0,0,0|1,1,0]=4 3704 B10R0.35 CCCN(C)C(=O)C(C)SC 527a_100000747261_100000149566 [0,2,0,0,0,0|1,1,0]=4 3705 B10R0.35 CCCN(C)C(=O)C(O)CC 240690a_100000747261_100011196387 [0,2,0,0,0,0|1,0,0]=3 3706 B10R0.35 CCCN(C)C(=O)C(O)CO 240690a_100000747261_100011215603 [0,2,0,0,0,0|1,0,0]=3 3707 B10R0.35 CN(CCO)C(=O)C(O)CO 240690a_100000210263_100011215603 [0,2,0,0,0,0|0,0,0]=2 3708 B10R0.35 CNC(=O)C(=O)N(C)CCO 240690a_100000210263_100011218921 [0,2,0,0,0,0|0,0,2]=4 3709 B10R0.35 CNC(=O)C(=O)N(C)CCO 527a_100000210263_100011218921 [0,2,0,0,0,0|0,0,2]=4 3710 B10R0.35 COC(=O)C(=O)N(C)CCO 240690a_100000210263_100000024059 [0,2,0,0,0,0|0,0,2]=4 3711 B10R0.35 COC(=O)C(=O)N(C)CCO 527a_100000210263_100000024059 [0,2,0,0,0,0|0,0,2]=4 3712 B10R0.35 COC(C)C(=O)C(C)CCO 1458a_100000743197_100009893172 [0,2,0,0,0,0|1,0,0]=3 3713 B10R0.35 COC(C)C(=O)N(C)CC#N 11a_100000748184_100000743197 [0,2,0,0,0,0|1,0,1]=4 3714 B10R0.35 COC(C)C(=O)N(C)CC#N 1626a_100000748184_100000743197 [0,2,0,0,0,0|1,0,1]=4 3715 B10R0.35 COC(C)C(=O)N(C)CCO 240690a_100000210263_100000743197 [0,2,0,0,0,0|0,0,0]=2 3716 B10R0.35 COC(C)C(=O)N(C)CCO 527a_100000210263_100000743197 [0,2,0,0,0,0|0,0,0]=2 3717 B10R0.35 CSC(C)C(=O)C(C)CCO 1458a_100000149566_100009893172 [0,2,0,0,0,0|1,1,0]=4 3718 B10R0.35 CSC(C)C(=O)N(C)CCO 240690a_100000210263_100000149566 [0,2,0,0,0,0|0,1,0]=3 3719 B10R0.35 CSC(C)C(=O)N(C)CCO 527a_100000210263_100000149566 [0,2,0,0,0,0|0,1,0]=3 3720 B10R0.36 CC(C)S(=O)(=O)N(C)CCO 270084a_100000210263_100000742656 [0,2,0,0,0,0|2,0,0]=4 3721 B10R0.36 CC(C)S(=O)(=O)N(C)CCO 274078a_100000210263_100000742656 [0,2,0,0,0,0|2,0,0]=4 3722 B10R0.56 CC(C#N)N(C)C(=O)[C@H](C)O 1626a_100000745055_217856618621 [0,2,0,0,0,0|1,0,1]=4 3723 B10R0.56 CC(C)C(=O)N(C)C(C)CO 240690a_100000693034_100000210198 [0,2,0,0,0,0|1,0,0]=3 3724 B10R0.56 CC(C)C(=O)N(C)C(C)CO 527a_100000693034_100000210198 [0,2,0,0,0,0|1,0,0]=3 3725 B10R0.56 CC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210206 [0,2,0,0,0,0|2,0,0]=4 3726 B10R0.56 CC(CO)N(C)C(=O)C(F)F 240690a_100000693034_100000210393 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.56 CC(CO)N(C)C(=O)C(F)F 527a_100000693034_100000210393 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.56 CC(CO)N(C)C(=O)C(O)O 240690a_100000693034_100000233687 [0,2,0,0,0,0|1,0,0]=3 3729 B10R0.56 CC(CO)N(C)C(=O)[C@@H](C)O 240690a_100000693034_100000717761 [0,2,0,0,0,0|0,0,0]=2 3730 B10R0.56 CC(CO)N(C)C(=O)[C@H](C)O 240690a_100000693034_217856618621 [0,2,0,0,0,0|0,0,0]=2 3731 B10R0.56 CC(F)C(=O)N(C)C(C)CO 240690a_100000693034_100000062450 [0,2,0,0,0,0|1,0,0]=3 3732 B10R0.56 CC(F)C(=O)N(C)C(C)CO 527a_100000693034_100000062450 [0,2,0,0,0,0|1,0,0]=3 3733 B10R0.56 CCC(C)N(C)C(=O)C(C)C 11a_100000741768_100000210198 [0,2,0,0,0,0|2,0,0]=4 3734 B10R0.56 CCC(C)N(C)C(=O)C(C)C 1626a_100000741768_100000210198 [0,2,0,0,0,0|2,0,0]=4 3735 B10R0.56 CCC(C)N(C)C(=O)C(C)C 240690a_100000741768_100000210198 [0,2,0,0,0,0|2,0,0]=4 3736 B10R0.56 CCC(C)N(C)C(=O)C(C)C 527a_100000741768_100000210198 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.56 CCC(C)N(C)C(=O)C(C)F 11a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 3738 B10R0.56 CCC(C)N(C)C(=O)C(C)F 1626a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 3739 B10R0.56 CCC(C)N(C)C(=O)C(C)F 240690a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 3740 B10R0.56 CCC(C)N(C)C(=O)C(C)F 527a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 3741 B10R0.56 CCC(C)N(C)C(=O)C(O)O 240690a_100000741768_100000233687 [0,2,0,0,0,0|2,0,0]=4 3742 B10R0.56 CCC(C)N(C)C(=O)[C@@H](C)O 240690a_100000741768_100000717761 [0,2,0,0,0,0|1,0,0]=3 3743 B10R0.56 CCC(C)N(C)C(=O)[C@H](C)O 1626a_100000741768_217856618621 [0,2,0,0,0,0|1,0,0]=3 3744 B10R0.56 CCC(C)N(C)C(=O)[C@H](C)O 240690a_100000741768_217856618621 [0,2,0,0,0,0|1,0,0]=3 3745 B10R0.43 CC(O)CNS(=O)(=O)C(C)C 270084a_100000210904_100000742656 [0,2,0,0,0,0|2,0,0]=4 3746 B10R0.43 CC(O)CNS(=O)(=O)C(C)C 274078a_100000210904_100000742656 [0,2,0,0,0,0|2,0,0]=4 3747 B10R0.57 C/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100020587367 [0,2,0,0,0,0|1,0,1]=4 3748 B10R0.57 C=C(C)CNC(=O)C(C)OC 11a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 3749 B10R0.57 C=C(C)CNC(=O)C(C)OC 1626a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 3750 B10R0.57 C=C(C)CNC(=O)C(C)OC 240690a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 3751 B10R0.57 C=C(C)CNC(=O)C(C)OC 527a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 3752 B10R0.57 C=C(C)CNC(=O)C(O)CC 240690a_100000765925_100011196387 [0,2,0,0,0,0|1,0,1]=4 3753 B10R0.57 C=C(C)CNC(=O)C(O)CO 240690a_100000765925_100011215603 [0,2,0,0,0,0|1,0,1]=4 3754 B10R0.57 C=CC(C)C(=O)CCC(C)O 1458a_100011216780_100012276601 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.57 C=CC(C)C(=O)NCC(C)C 11a_100000210953_100011216780 [0,2,0,0,0,0|2,0,0]=4 3756 B10R0.57 C=CC(C)C(=O)NCC(C)C 1626a_100000210953_100011216780 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.57 C=CC(C)C(=O)NCC(C)C 240690a_100000210953_100011216780 [0,2,0,0,0,0|2,0,0]=4 3758 B10R0.57 C=CC(C)C(=O)NCC(C)C 527a_100000210953_100011216780 [0,2,0,0,0,0|2,0,0]=4 3759 B10R0.57 C=CC(C)C(=O)NCC(C)O 11a_100000210904_100011216780 [0,2,0,0,0,0|1,0,0]=3 3760 B10R0.57 C=CC(C)C(=O)NCC(C)O 240690a_100000210904_100011216780 [0,2,0,0,0,0|1,0,0]=3 3761 B10R0.57 C=CC(C)C(=O)NCC(C)O 527a_100000210904_100011216780 [0,2,0,0,0,0|1,0,0]=3 3762 B10R0.57 C=CC(C)C(=O)NCC(F)F 11a_100000765723_100011216780 [0,2,0,0,0,0|2,0,0]=4 3763 B10R0.57 C=CC(C)C(=O)NCC(F)F 1626a_100000765723_100011216780 [0,2,0,0,0,0|2,0,0]=4 3764 B10R0.57 C=CC(C)C(=O)NCC(F)F 240690a_100000765723_100011216780 [0,2,0,0,0,0|2,0,0]=4 3765 B10R0.57 C=CC(C)C(=O)NCC(F)F 527a_100000765723_100011216780 [0,2,0,0,0,0|2,0,0]=4 3766 B10R0.57 CC(C#N)C(=O)NCC(F)F 11a_100000765723_100000753662 [0,2,0,0,0,0|2,0,0]=4 3767 B10R0.57 CC(C#N)C(=O)NCC(F)F 1626a_100000765723_100000753662 [0,2,0,0,0,0|2,0,0]=4 3768 B10R0.57 CC(C#N)C(=O)NCC(F)F 240690a_100000765723_100000753662 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.57 CC(C#N)C(=O)NCC(F)F 527a_100000765723_100000753662 [0,2,0,0,0,0|2,0,0]=4 3770 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,2,0,0,0,0|2,0,0]=4 3771 B10R0.57 CC(C)CNC(=O)C(C)C#N 11a_100000210953_100000753662 [0,2,0,0,0,0|2,0,0]=4 3772 B10R0.57 CC(C)CNC(=O)C(C)C#N 1626a_100000210953_100000753662 [0,2,0,0,0,0|2,0,0]=4 3773 B10R0.57 CC(C)CNC(=O)C(C)C#N 240690a_100000210953_100000753662 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.57 CC(C)CNC(=O)C(C)C#N 527a_100000210953_100000753662 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 2230a_100025753496_200025704644 [0,2,0,0,0,0|2,0,0]=4 3776 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 34a_100025753496_200025704644 [0,2,0,0,0,0|2,0,0]=4 3777 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_100000230289_200025704644 [0,2,0,0,0,0|1,1,0]=4 3778 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_200025704644_100000230289 [0,2,0,0,0,0|1,1,0]=4 3779 B10R0.57 CC(C)CNC(=O)C(O)CO 240690a_100000210953_100011215603 [0,2,0,0,0,0|1,0,0]=3 3780 B10R0.57 CC(C)NNC(=O)C(O)CO 22a_100000741168_100011215603 [0,2,0,0,0,0|2,0,0]=4 3781 B10R0.57 CC(O)CCC(=O)C(C)C#N 1458a_100000753662_100012276601 [0,2,0,0,0,0|2,0,0]=4 3782 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,2,0,0,0,0|1,0,0]=3 3783 B10R0.57 CC(O)CNC(=O)C(C)C#N 11a_100000210904_100000753662 [0,2,0,0,0,0|1,0,0]=3 3784 B10R0.57 CC(O)CNC(=O)C(C)C#N 240690a_100000210904_100000753662 [0,2,0,0,0,0|1,0,0]=3 3785 B10R0.57 CC(O)CNC(=O)C(C)C#N 527a_100000210904_100000753662 [0,2,0,0,0,0|1,0,0]=3 3786 B10R0.57 CC(O)CNC(=O)C(O)CO 240690a_100000210904_100011215603 [0,2,0,0,0,0|0,0,0]=2 3787 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [0,2,0,0,0,0|2,0,0]=4 3789 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [0,2,0,0,0,0|2,0,0]=4 3791 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 3793 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 3794 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 3795 B10R0.57 CCC(C)C(=O)NCC(F)F 11a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.57 CCC(C)C(=O)NCC(F)F 1626a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.57 CCC(C)C(=O)NCC(F)F 240690a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 3798 B10R0.57 CCC(C)C(=O)NCC(F)F 527a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 3799 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|2,0,0]=4 3800 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|1,0,0]=3 3801 B10R0.57 CCC(O)C(=O)NCC(=O)N 240690a_100000711301_100011196387 [0,2,0,0,0,0|0,0,2]=4 3802 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,2,0,0,0,0|1,0,0]=3 3803 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,2,0,0,0,0|0,0,0]=2 3804 B10R0.57 CCC(O)C(=O)NCC(F)F 240690a_100000765723_100011196387 [0,2,0,0,0,0|1,0,0]=3 3805 B10R0.57 CCC(O)C(=O)NNC(C)C 22a_100000741168_100011196387 [0,2,0,0,0,0|2,0,0]=4 3806 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,2,0,0,0,0|2,0,0]=4 3807 B10R0.57 CNC(=O)C(=O)NCC(C)O 240690a_100000210904_100011218921 [0,2,0,0,0,0|0,0,2]=4 3808 B10R0.57 CNC(=O)C(=O)NCC(C)O 527a_100000210904_100011218921 [0,2,0,0,0,0|0,0,2]=4 3809 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_100025753496_200000210301 [0,2,0,0,0,0|2,0,0]=4 3810 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_106832991635_100000230289 [0,2,0,0,0,0|2,0,0]=4 3811 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100025753496_200000210301 [0,2,0,0,0,0|2,0,0]=4 3812 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100102657272_100000230289 [0,2,0,0,0,0|2,0,0]=4 3813 B10R0.57 CNC(C)C(=O)NCC(C)C 7a_106832991635_100000230289 [0,2,0,0,0,0|2,0,0]=4 3814 B10R0.57 CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_200000210301 [0,2,0,0,0,0|1,0,1]=4 3815 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|0,0,2]=4 3816 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|0,0,2]=4 3817 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|0,0,2]=4 3818 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,2,0,0,0,0|2,0,0]=4 3819 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|1,0,0]=3 3820 B10R0.57 COC(C)C(=O)NCC(=O)N 11a_100000711301_100000743197 [0,2,0,0,0,0|0,0,2]=4 3821 B10R0.57 COC(C)C(=O)NCC(=O)N 240690a_100000711301_100000743197 [0,2,0,0,0,0|0,0,2]=4 3822 B10R0.57 COC(C)C(=O)NCC(=O)N 527a_100000711301_100000743197 [0,2,0,0,0,0|0,0,2]=4 3823 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 3824 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 3825 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 3826 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [0,2,0,0,0,0|1,0,0]=3 3827 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 3828 B10R0.57 COC(C)C(=O)NCC(C)O 11a_100000210904_100000743197 [0,2,0,0,0,0|0,0,0]=2 3829 B10R0.57 COC(C)C(=O)NCC(C)O 240690a_100000210904_100000743197 [0,2,0,0,0,0|0,0,0]=2 3830 B10R0.57 COC(C)C(=O)NCC(C)O 527a_100000210904_100000743197 [0,2,0,0,0,0|0,0,0]=2 3831 B10R0.57 COC(C)C(=O)NCC(F)F 11a_100000765723_100000743197 [0,2,0,0,0,0|1,0,0]=3 3832 B10R0.57 COC(C)C(=O)NCC(F)F 1626a_100000765723_100000743197 [0,2,0,0,0,0|1,0,0]=3 3833 B10R0.57 COC(C)C(=O)NCC(F)F 240690a_100000765723_100000743197 [0,2,0,0,0,0|1,0,0]=3 3834 B10R0.57 COC(C)C(=O)NCC(F)F 527a_100000765723_100000743197 [0,2,0,0,0,0|1,0,0]=3 3835 B10R0.57 COC(C)C(=O)NNC(C)C 22a_100000741168_100000743197 [0,2,0,0,0,0|2,0,0]=4 3836 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|1,1,0]=4 3837 B10R0.57 CSC(C)C(=O)NCC(C)C 11a_100000210953_100000149566 [0,2,0,0,0,0|1,1,0]=4 3838 B10R0.57 CSC(C)C(=O)NCC(C)C 1626a_100000210953_100000149566 [0,2,0,0,0,0|1,1,0]=4 3839 B10R0.57 CSC(C)C(=O)NCC(C)C 240690a_100000210953_100000149566 [0,2,0,0,0,0|1,1,0]=4 3840 B10R0.57 CSC(C)C(=O)NCC(C)C 527a_100000210953_100000149566 [0,2,0,0,0,0|1,1,0]=4 3841 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_100000230289_200000210301 [0,2,0,0,0,0|1,1,0]=4 3842 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_200000210301_100000230289 [0,2,0,0,0,0|1,1,0]=4 3843 B10R0.57 CSC(C)C(=O)NCC(C)O 11a_100000210904_100000149566 [0,2,0,0,0,0|0,1,0]=3 3844 B10R0.57 CSC(C)C(=O)NCC(C)O 240690a_100000210904_100000149566 [0,2,0,0,0,0|0,1,0]=3 3845 B10R0.57 CSC(C)C(=O)NCC(C)O 527a_100000210904_100000149566 [0,2,0,0,0,0|0,1,0]=3 3846 B10R0.57 CSC(C)C(=O)NCC(F)F 11a_100000765723_100000149566 [0,2,0,0,0,0|1,1,0]=4 3847 B10R0.57 CSC(C)C(=O)NCC(F)F 1626a_100000765723_100000149566 [0,2,0,0,0,0|1,1,0]=4 3848 B10R0.57 CSC(C)C(=O)NCC(F)F 240690a_100000765723_100000149566 [0,2,0,0,0,0|1,1,0]=4 3849 B10R0.57 CSC(C)C(=O)NCC(F)F 527a_100000765723_100000149566 [0,2,0,0,0,0|1,1,0]=4 3850 B10R0.57 C[C@H](N[13CH3])C(=O)NCC(=O)O 269956a_200011416764_200025704644 [0,2,0,0,0,0|1,0,1]=4 3851 B10R0.57 NC(=O)CNC(=O)C(O)CO 240690a_100000711301_100011215603 [0,2,0,0,0,0|0,0,2]=4 3852 B10R0.57 O=C(NCC(F)F)C(O)CO 240690a_100000765723_100011215603 [0,2,0,0,0,0|1,0,0]=3 3853 B10R0.82 C=C(C)C(=O)NCC(C)OC 34a_100000065599_200000210301 [0,2,0,0,0,0|1,0,1]=4 3854 B10R0.82 C=C(C)C(=O)NCC(C)O[13CH3] 34a_100000065599_200025704644 [0,2,0,0,0,0|1,0,1]=4 3855 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|1,0,1]=4 3856 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000185857 [0,2,0,0,0,0|1,0,1]=4 3857 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000185857 [0,2,0,0,0,0|1,0,1]=4 3858 B10R0.82 CC(=NNC(=O)C(C)C)CO 4a_100000184118_100000211253 [0,2,0,0,0,0|1,0,1]=4 3859 B10R0.82 CC(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000753385 [0,2,0,0,0,0|1,0,0]=3 3860 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100000753385_100016084084 [0,2,0,0,0,0|2,0,0]=4 3861 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000753385 [0,2,0,0,0,0|2,0,0]=4 3862 B10R0.82 CC(C)C(=O)NCC(=O)CF 1458a_100000194582_100015361967 [0,2,0,0,0,0|2,0,0]=4 3863 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000210198 [0,2,0,0,0,0|1,0,0]=3 3864 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000210198 [0,2,0,0,0,0|1,0,0]=3 3865 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000210198 [0,2,0,0,0,0|1,0,0]=3 3866 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000210198 [0,2,0,0,0,0|1,0,0]=3 3867 B10R0.82 CC(C)C(=O)NNC(=O)CO 22a_100000184118_100000210174 [0,2,0,0,0,0|1,0,1]=4 3868 B10R0.82 CC(C)C(=O)OCC(=O)CO 1458a_100000210174_100000139345 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [0,2,0,0,0,0|1,0,0]=3 3870 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [0,2,0,0,0,0|1,0,0]=3 3871 B10R0.82 CC(CO)CNC(=O)C(C)F 240690a_100000744482_100000062450 [0,2,0,0,0,0|1,0,0]=3 3872 B10R0.82 CC(CO)CNC(=O)C(C)F 527a_100000744482_100000062450 [0,2,0,0,0,0|1,0,0]=3 3873 B10R0.82 CC(CO)CNC(=O)C(F)F 240690a_100000744482_100000210393 [0,2,0,0,0,0|2,0,0]=4 3874 B10R0.82 CC(CO)CNC(=O)C(F)F 527a_100000744482_100000210393 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.82 CC(CO)CNC(=O)C(O)O 240690a_100000744482_100000233687 [0,2,0,0,0,0|1,0,0]=3 3876 B10R0.82 CC(CO)CNC(=O)[C@@H](C)O 240690a_100000744482_100000717761 [0,2,0,0,0,0|0,0,0]=2 3877 B10R0.82 CC(CO)CNC(=O)[C@H](C)O 240690a_100000744482_217856618621 [0,2,0,0,0,0|0,0,0]=2 3878 B10R0.82 CC(CO)NCC(=O)N(C)C 2230a_100015183351_100012180447 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.82 CC(CO)SCC(=O)C(C)C 62a_100012180447_100000753385 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000062450 [0,2,0,0,0,0|1,0,0]=3 3881 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 527a_100015665980_100000062450 [0,2,0,0,0,0|1,0,0]=3 3882 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 240690a_100020644852_100000062450 [0,2,0,0,0,0|1,0,0]=3 3883 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 527a_100020644852_100000062450 [0,2,0,0,0,0|1,0,0]=3 3884 B10R0.82 CCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210202 [0,2,0,0,0,0|2,0,0]=4 3885 B10R0.82 CCC(=O)NNC(=O)[C@@H](C)O 22a_100000183195_100000717761 [0,2,0,0,0,0|1,0,1]=4 3886 B10R0.82 CCC(=O)NNC(=O)[C@H](C)O 22a_100000183195_217856618621 [0,2,0,0,0,0|1,0,1]=4 3887 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 3888 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 3890 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 3891 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 3892 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 3893 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 3894 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 3895 B10R0.82 CCC(C)CNC(=O)C(O)O 240690a_100020588543_100000233687 [0,2,0,0,0,0|2,0,0]=4 3896 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,2,0,0,0,0|1,0,0]=3 3897 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,2,0,0,0,0|1,0,0]=3 3898 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,2,0,0,0,0|1,0,0]=3 3899 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,2,0,0,0,0|2,0,0]=4 3900 B10R0.82 CCC(C)NN=C(C)C(C)O 4a_100000718999_100000212229 [0,2,0,0,0,0|2,0,0]=4 3901 B10R0.82 CCC(C)NNC(=O)C(C)C 22a_100000718999_100000210198 [0,2,0,0,0,0|2,0,0]=4 3902 B10R0.82 CCC(C)NNC(=O)C(C)F 22a_100000718999_100000062450 [0,2,0,0,0,0|2,0,0]=4 3903 B10R0.82 CCC(C)NNC(=O)C(O)O 22a_100000718999_100000233687 [0,2,0,0,0,0|2,0,0]=4 3904 B10R0.82 CCC(C)NNC(=O)[C@@H](C)O 22a_100000718999_100000717761 [0,2,0,0,0,0|1,0,0]=3 3905 B10R0.82 CCC(C)NNC(=O)[C@H](C)O 22a_100000718999_217856618621 [0,2,0,0,0,0|1,0,0]=3 3906 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,2,0,0,0,0|1,0,0]=3 3907 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,2,0,0,0,0|1,0,0]=3 3908 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,2,0,0,0,0|1,0,0]=3 3909 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 3910 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 3911 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 3912 B10R0.82 CCC(O)CNC(=O)C(F)F 11a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 3913 B10R0.82 CCC(O)CNC(=O)C(F)F 240690a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 3914 B10R0.82 CCC(O)CNC(=O)C(F)F 527a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 3915 B10R0.82 CCC(O)CNC(=O)C(O)O 240690a_100011218483_100000233687 [0,2,0,0,0,0|1,0,0]=3 3916 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,2,0,0,0,0|0,0,0]=2 3917 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,2,0,0,0,0|0,0,0]=2 3918 B10R0.82 CNC(=O)CNC(=O)[C@@H](C)O 240690a_100000693194_100000717761 [0,2,0,0,0,0|0,0,2]=4 3919 B10R0.82 CNC(=O)CNC(=O)[C@H](C)O 240690a_100000693194_217856618621 [0,2,0,0,0,0|0,0,2]=4 3920 B10R0.82 COC(=O)CNC(=O)C(C)C 188690a_100000185156_100000210198 [0,2,0,0,0,0|1,0,1]=4 3921 B10R0.82 COC(=O)CNC(=O)C(C)F 188690a_100000185156_100000062450 [0,2,0,0,0,0|1,0,1]=4 3922 B10R0.82 COC(=O)CNC(=O)C(O)O 188690a_100000185156_100000233687 [0,2,0,0,0,0|1,0,1]=4 3923 B10R0.82 COC(=O)CNC(=O)[C@@H](C)O 188690a_100000185156_100000717761 [0,2,0,0,0,0|0,0,1]=3 3924 B10R0.82 COC(=O)CNC(=O)[C@H](C)O 188690a_100000185156_217856618621 [0,2,0,0,0,0|0,0,1]=3 3925 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 11a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 3926 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 1626a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 3927 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 240690a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 3928 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 527a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 3929 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 11a_100020591295_100000062450 [0,2,0,0,0,0|1,0,0]=3 3930 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 1626a_100020591295_100000062450 [0,2,0,0,0,0|1,0,0]=3 3931 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 240690a_100020591295_100000062450 [0,2,0,0,0,0|1,0,0]=3 3932 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 527a_100020591295_100000062450 [0,2,0,0,0,0|1,0,0]=3 3933 B10R0.82 CO[C@H](C)CNC(=O)C(F)F 11a_100020591295_100000210393 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.82 CO[C@H](C)CNC(=O)C(F)F 1626a_100020591295_100000210393 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.82 CO[C@H](C)CNC(=O)C(F)F 240690a_100020591295_100000210393 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.82 CO[C@H](C)CNC(=O)C(F)F 527a_100020591295_100000210393 [0,2,0,0,0,0|2,0,0]=4 3937 B10R0.82 CO[C@H](C)CNC(=O)C(O)O 240690a_100020591295_100000233687 [0,2,0,0,0,0|1,0,0]=3 3938 B10R0.82 CO[C@H](C)CNC(=O)N(C)C 2708a_100020591295_100102631434 [0,2,0,0,0,0|2,0,0]=4 3939 B10R0.82 CO[C@H](C)CNC(=O)[C@@H](C)O 240690a_100020591295_100000717761 [0,2,0,0,0,0|0,0,0]=2 3940 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 1626a_100020591295_217856618621 [0,2,0,0,0,0|0,0,0]=2 3941 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 240690a_100020591295_217856618621 [0,2,0,0,0,0|0,0,0]=2 3942 B10R0.82 C[C@@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000717761 [0,2,0,0,0,0|0,0,0]=2 3943 B10R0.82 C[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000717761 [0,2,0,0,0,0|0,0,0]=2 3944 B10R0.82 C[C@H](CO)NCC(=O)N(C)C 2230a_100000737577_100000185267 [0,2,0,0,0,0|2,0,0]=4 3945 B10R0.82 C[C@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_217856618621 [0,2,0,0,0,0|0,0,0]=2 3946 B10R0.82 C[C@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_217856618621 [0,2,0,0,0,0|0,0,0]=2 3947 B10R0.82 O=C(NC[C@@H](F)CO)C(F)F 240690a_100015665980_100000210393 [0,2,0,0,0,0|2,0,0]=4 3948 B10R0.82 O=C(NC[C@@H](F)CO)C(F)F 527a_100015665980_100000210393 [0,2,0,0,0,0|2,0,0]=4 3949 B10R0.82 O=C(NC[C@@H](F)CO)C(O)O 240690a_100015665980_100000233687 [0,2,0,0,0,0|1,0,0]=3 3950 B10R0.82 O=C(NC[C@H](O)CO)C(F)F 240690a_100020644852_100000210393 [0,2,0,0,0,0|2,0,0]=4 3951 B10R0.82 O=C(NC[C@H](O)CO)C(F)F 527a_100020644852_100000210393 [0,2,0,0,0,0|2,0,0]=4 3952 B10R0.82 O=C(NC[C@H](O)CO)C(O)O 240690a_100020644852_100000233687 [0,2,0,0,0,0|1,0,0]=3 3953 B10R0.84 CC(O)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011218427 [0,2,0,0,0,0|0,0,2]=4 3954 B10R0.84 CC(O)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100011218427 [0,2,0,0,0,0|0,0,2]=4 3955 B10R0.84 CC[C@H](NCC(C)O)[C@@H](C)O 2230a_100161114882_100011218427 [0,2,0,0,0,0|1,0,1]=4 3956 B10R0.84 CC[C@H](NCC(C)O)[C@@H](C)O 34a_100161114882_100011218427 [0,2,0,0,0,0|1,0,1]=4 3957 B10R0.84 CC[C@H](NC[C@@H](C)O)[C@@H](C)O 2230a_100161114882_100009817552 [0,2,0,0,0,0|1,0,1]=4 3958 B10R0.84 CC[C@H](NC[C@@H](C)O)[C@@H](C)O 34a_100161114882_100009817552 [0,2,0,0,0,0|1,0,1]=4 3959 B10R0.84 C[C@@H](O)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100009817552 [0,2,0,0,0,0|0,0,2]=4 3960 B10R0.84 C[C@@H](O)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100009817552 [0,2,0,0,0,0|0,0,2]=4 3961 B10R0.92 C=C(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000185857 [0,2,0,0,0,0|1,0,1]=4 3962 B10R0.92 CC(C)(C)CNC(=O)C(O)O 240690a_100000743828_100000233687 [0,2,0,0,0,0|2,0,0]=4 3963 B10R0.92 CC(C)(F)CNC(=O)C(O)O 240690a_100020643315_100000233687 [0,2,0,0,0,0|2,0,0]=4 3964 B10R0.92 CC(C)(O)CNC(=O)C(F)F 1626a_100000751335_100000210393 [0,2,0,0,0,0|2,0,0]=4 3965 B10R0.92 CC(C)(O)CNC(=O)C(F)F 240690a_100000751335_100000210393 [0,2,0,0,0,0|2,0,0]=4 3966 B10R0.92 CC(C)(O)CNC(=O)C(F)F 527a_100000751335_100000210393 [0,2,0,0,0,0|2,0,0]=4 3967 B10R0.92 CC(C)(O)CNC(=O)C(O)O 240690a_100000751335_100000233687 [0,2,0,0,0,0|1,0,0]=3 3968 B10R0.92 CC(C)C(=O)NCC(C)(C)C 11a_100000743828_100000210198 [0,2,0,0,0,0|2,0,0]=4 3969 B10R0.92 CC(C)C(=O)NCC(C)(C)C 1626a_100000743828_100000210198 [0,2,0,0,0,0|2,0,0]=4 3970 B10R0.92 CC(C)C(=O)NCC(C)(C)C 240690a_100000743828_100000210198 [0,2,0,0,0,0|2,0,0]=4 3971 B10R0.92 CC(C)C(=O)NCC(C)(C)C 527a_100000743828_100000210198 [0,2,0,0,0,0|2,0,0]=4 3972 B10R0.92 CC(C)C(=O)NCC(C)(C)F 11a_100020643315_100000210198 [0,2,0,0,0,0|2,0,0]=4 3973 B10R0.92 CC(C)C(=O)NCC(C)(C)F 1626a_100020643315_100000210198 [0,2,0,0,0,0|2,0,0]=4 3974 B10R0.92 CC(C)C(=O)NCC(C)(C)F 240690a_100020643315_100000210198 [0,2,0,0,0,0|2,0,0]=4 3975 B10R0.92 CC(C)C(=O)NCC(C)(C)F 527a_100020643315_100000210198 [0,2,0,0,0,0|2,0,0]=4 3976 B10R0.92 CC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000210198 [0,2,0,0,0,0|1,0,0]=3 3977 B10R0.92 CC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100000210198 [0,2,0,0,0,0|1,0,0]=3 3978 B10R0.92 CC(C)C(=O)NCC(C)(C)O 527a_100000751335_100000210198 [0,2,0,0,0,0|1,0,0]=3 3979 B10R0.92 CC(C)C(=O)NCC(C)(F)F 11a_100000731000_100000210198 [0,2,0,0,0,0|2,0,0]=4 3980 B10R0.92 CC(C)C(=O)NCC(C)(F)F 1626a_100000731000_100000210198 [0,2,0,0,0,0|2,0,0]=4 3981 B10R0.92 CC(C)C(=O)NCC(C)(F)F 240690a_100000731000_100000210198 [0,2,0,0,0,0|2,0,0]=4 3982 B10R0.92 CC(C)C(=O)NCC(C)(F)F 527a_100000731000_100000210198 [0,2,0,0,0,0|2,0,0]=4 3983 B10R0.92 CC(C)C(=O)NCC(F)(F)F 11a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 3984 B10R0.92 CC(C)C(=O)NCC(F)(F)F 1626a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 3985 B10R0.92 CC(C)C(=O)NCC(F)(F)F 240690a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 3986 B10R0.92 CC(C)C(=O)NCC(F)(F)F 527a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 3987 B10R0.92 CC(F)(F)CNC(=O)C(O)O 240690a_100000731000_100000233687 [0,2,0,0,0,0|2,0,0]=4 3988 B10R0.92 CC(F)C(=O)NCC(C)(C)C 11a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 3989 B10R0.92 CC(F)C(=O)NCC(C)(C)C 1626a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 3990 B10R0.92 CC(F)C(=O)NCC(C)(C)C 240690a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 3991 B10R0.92 CC(F)C(=O)NCC(C)(C)C 527a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 3992 B10R0.92 CC(F)C(=O)NCC(C)(C)F 11a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 3993 B10R0.92 CC(F)C(=O)NCC(C)(C)F 1626a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 3994 B10R0.92 CC(F)C(=O)NCC(C)(C)F 240690a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 3995 B10R0.92 CC(F)C(=O)NCC(C)(C)F 527a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 3996 B10R0.92 CC(F)C(=O)NCC(C)(C)O 1626a_100000751335_100000062450 [0,2,0,0,0,0|1,0,0]=3 3997 B10R0.92 CC(F)C(=O)NCC(C)(C)O 240690a_100000751335_100000062450 [0,2,0,0,0,0|1,0,0]=3 3998 B10R0.92 CC(F)C(=O)NCC(C)(C)O 527a_100000751335_100000062450 [0,2,0,0,0,0|1,0,0]=3 3999 B10R0.92 CC(F)C(=O)NCC(C)(F)F 11a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 4000 B10R0.92 CC(F)C(=O)NCC(C)(F)F 1626a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 4001 B10R0.92 CC(F)C(=O)NCC(C)(F)F 240690a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 4002 B10R0.92 CC(F)C(=O)NCC(C)(F)F 527a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 4003 B10R0.92 CC(F)C(=O)NCC(F)(F)F 11a_100000717047_100000062450 [0,2,0,0,0,0|2,0,0]=4 4004 B10R0.92 CC(F)C(=O)NCC(F)(F)F 1626a_100000717047_100000062450 [0,2,0,0,0,0|2,0,0]=4 4005 B10R0.92 CC(F)C(=O)NCC(F)(F)F 240690a_100000717047_100000062450 [0,2,0,0,0,0|2,0,0]=4 4006 B10R0.92 CC(F)C(=O)NCC(F)(F)F 527a_100000717047_100000062450 [0,2,0,0,0,0|2,0,0]=4 4007 B10R0.92 C[C@@H](O)C(=O)CCC(C)(C)C 1458a_100000717761_100000755188 [0,2,0,0,0,0|2,0,0]=4 4008 B10R0.92 C[C@@H](O)C(=O)CCC(F)(F)F 1458a_100000717761_100011219754 [0,2,0,0,0,0|2,0,0]=4 4009 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)C 240690a_100000743828_100000717761 [0,2,0,0,0,0|1,0,0]=3 4010 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)F 240690a_100020643315_100000717761 [0,2,0,0,0,0|1,0,0]=3 4011 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)O 240690a_100000751335_100000717761 [0,2,0,0,0,0|0,0,0]=2 4012 B10R0.92 C[C@@H](O)C(=O)NCC(C)(F)F 240690a_100000731000_100000717761 [0,2,0,0,0,0|1,0,0]=3 4013 B10R0.92 C[C@@H](O)C(=O)NCC(F)(F)F 240690a_100000717047_100000717761 [0,2,0,0,0,0|1,0,0]=3 4014 B10R0.92 C[C@@H](O)C(=O)NC[Si](C)(C)C 240690a_102516607284_100000717761 [0,2,0,0,0,0|1,1,0]=4 4015 B10R0.92 C[C@@H](O)C(=O)NNC(C)(C)C 22a_100000725372_100000717761 [0,2,0,0,0,0|2,0,0]=4 4016 B10R0.92 C[C@H](O)C(=O)CCC(C)(C)C 1458a_217856618621_100000755188 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.92 C[C@H](O)C(=O)CCC(F)(F)F 1458a_217856618621_100011219754 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)C 1626a_100000743828_217856618621 [0,2,0,0,0,0|1,0,0]=3 4019 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)C 240690a_100000743828_217856618621 [0,2,0,0,0,0|1,0,0]=3 4020 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)F 1626a_100020643315_217856618621 [0,2,0,0,0,0|1,0,0]=3 4021 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)F 240690a_100020643315_217856618621 [0,2,0,0,0,0|1,0,0]=3 4022 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)O 1626a_100000751335_217856618621 [0,2,0,0,0,0|0,0,0]=2 4023 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)O 240690a_100000751335_217856618621 [0,2,0,0,0,0|0,0,0]=2 4024 B10R0.92 C[C@H](O)C(=O)NCC(C)(F)F 1626a_100000731000_217856618621 [0,2,0,0,0,0|1,0,0]=3 4025 B10R0.92 C[C@H](O)C(=O)NCC(C)(F)F 240690a_100000731000_217856618621 [0,2,0,0,0,0|1,0,0]=3 4026 B10R0.92 C[C@H](O)C(=O)NCC(F)(F)F 1626a_100000717047_217856618621 [0,2,0,0,0,0|1,0,0]=3 4027 B10R0.92 C[C@H](O)C(=O)NCC(F)(F)F 240690a_100000717047_217856618621 [0,2,0,0,0,0|1,0,0]=3 4028 B10R0.92 C[C@H](O)C(=O)NC[Si](C)(C)C 1626a_102516607284_217856618621 [0,2,0,0,0,0|1,1,0]=4 4029 B10R0.92 C[C@H](O)C(=O)NC[Si](C)(C)C 240690a_102516607284_217856618621 [0,2,0,0,0,0|1,1,0]=4 4030 B10R0.92 C[C@H](O)C(=O)NNC(C)(C)C 22a_100000725372_217856618621 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.92 O=C(NCC(F)(F)F)C(O)O 240690a_100000717047_100000233687 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.93 CC(C)C(=O)NC(C)C(C)C 11a_100000211541_100000210198 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.93 CC(C)C(=O)NC(C)C(C)C 1626a_100000211541_100000210198 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.93 CC(C)C(=O)NC(C)C(C)C 240690a_100000211541_100000210198 [0,2,0,0,0,0|2,0,0]=4 4035 B10R0.93 CC(C)C(=O)NC(C)C(C)C 527a_100000211541_100000210198 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.93 CC(C)C(C)NC(=O)C(O)O 240690a_100000211541_100000233687 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.93 CC(C)C(C)NC(=O)[C@@H](C)O 240690a_100000211541_100000717761 [0,2,0,0,0,0|1,0,0]=3 4038 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 1626a_100000211541_217856618621 [0,2,0,0,0,0|1,0,0]=3 4039 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 240690a_100000211541_217856618621 [0,2,0,0,0,0|1,0,0]=3 4040 B10R0.93 CC(F)C(=O)NC(C)C(C)C 11a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.93 CC(F)C(=O)NC(C)C(C)C 1626a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.93 CC(F)C(=O)NC(C)C(C)C 240690a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.93 CC(F)C(=O)NC(C)C(C)C 527a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 4044 B10R0.93 C[C@@H](O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000717761 [0,2,0,0,0,0|0,0,2]=4 4045 B10R0.93 C[C@H](O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_217856618621 [0,2,0,0,0,0|0,0,2]=4 4046 B10R0.19 C#CCN(C)C(=O)NCCO 273464a_100000210304_100000225692 [0,2,0,0,0,0|2,0,0]=4 4047 B10R0.19 C#CCNC(=O)C(C)COC 11a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4048 B10R0.19 C#CCNC(=O)C(C)COC 1626a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4049 B10R0.19 C#CCNC(=O)C(C)COC 240690a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4050 B10R0.19 C#CCNC(=O)C(C)COC 527a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4051 B10R0.19 C#CCNC(=O)C(C)OCC 11a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4052 B10R0.19 C#CCNC(=O)C(C)OCC 1626a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4053 B10R0.19 C#CCNC(=O)C(C)OCC 240690a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4054 B10R0.19 C#CCNC(=O)C(C)OCC 34a_100121572206_100000735948 [0,2,0,0,0,0|1,0,1]=4 4055 B10R0.19 C#CCNC(=O)C(C)OCC 527a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4056 B10R0.19 C#CCNC(=O)[C@@H](O)CCC 240690a_100000212058_100009822183 [0,2,0,0,0,0|1,0,1]=4 4057 B10R0.19 C=CCC(C)C(=O)CCCO 1458a_100011216819_100011215043 [0,2,0,0,0,0|2,0,0]=4 4058 B10R0.19 C=CCC(C)C(=O)NCCC 11a_100020643023_100011216819 [0,2,0,0,0,0|2,0,0]=4 4059 B10R0.19 C=CCC(C)C(=O)NCCC 1626a_100020643023_100011216819 [0,2,0,0,0,0|2,0,0]=4 4060 B10R0.19 C=CCC(C)C(=O)NCCC 240690a_100020643023_100011216819 [0,2,0,0,0,0|2,0,0]=4 4061 B10R0.19 C=CCC(C)C(=O)NCCC 527a_100020643023_100011216819 [0,2,0,0,0,0|2,0,0]=4 4062 B10R0.19 C=CCC(C)C(=O)NCCF 11a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 4063 B10R0.19 C=CCC(C)C(=O)NCCF 1626a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 4064 B10R0.19 C=CCC(C)C(=O)NCCF 240690a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 4065 B10R0.19 C=CCC(C)C(=O)NCCF 527a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 4066 B10R0.19 C=CCC(C)C(=O)NCCO 240690a_100000210304_100011216819 [0,2,0,0,0,0|1,0,0]=3 4067 B10R0.19 C=CCC(C)C(=O)NCCO 527a_100000210304_100011216819 [0,2,0,0,0,0|1,0,0]=3 4068 B10R0.19 C=CCN(C)C(=O)NCCO 273464a_100000210304_100000225617 [0,2,0,0,0,0|2,0,0]=4 4069 B10R0.19 C=CCNC(=O)C(C)COC 1626a_100020586998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4070 B10R0.19 C=CCNC(=O)C(C)COC 240690a_100020586998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4071 B10R0.19 C=CCNC(=O)C(C)COC 527a_100020586998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4072 B10R0.19 C=CCNC(=O)C(C)OCC 1626a_100020586998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4073 B10R0.19 C=CCNC(=O)C(C)OCC 240690a_100020586998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4074 B10R0.19 C=CCNC(=O)C(C)OCC 527a_100020586998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4075 B10R0.19 C=CCNC(=O)[C@@H](O)CCC 240690a_100020586998_100009822183 [0,2,0,0,0,0|1,0,1]=4 4076 B10R0.19 CC(CCO)C(=O)C#CCO 1458a_100000049017_100009893172 [0,2,0,0,0,0|1,0,1]=4 4077 B10R0.19 CC/C=C(\C)/C(=O)NCCO 240690a_100000210304_100016988807 [0,2,0,0,0,0|1,0,1]=4 4078 B10R0.19 CC/C=C(\C)/C(=O)NCCO 527a_100000210304_100016988807 [0,2,0,0,0,0|1,0,1]=4 4079 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,2,0,0,0,0|2,0,0]=4 4080 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4081 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4082 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4083 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4084 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,2,0,0,0,0|1,0,0]=3 4085 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,2,0,0,0,0|1,0,0]=3 4086 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|2,0,0]=4 4087 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|2,0,0]=4 4088 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|2,0,0]=4 4089 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|2,0,0]=4 4090 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|2,0,0]=4 4091 B10R0.19 CCCN(C)C(=O)NCCO 273464a_100000210304_100000747261 [0,2,0,0,0,0|2,0,0]=4 4092 B10R0.19 CCCNC(=O)/C(=N/OC)/C 11a_100020643023_100160996864 [0,2,0,0,0,0|1,0,1]=4 4093 B10R0.19 CCCNC(=O)/C(=N/OC)/C 240690a_100020643023_100160996864 [0,2,0,0,0,0|1,0,1]=4 4094 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4095 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4096 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4097 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4098 B10R0.19 CCCNC(=O)C(C)COC 11a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4099 B10R0.19 CCCNC(=O)C(C)COC 1626a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4100 B10R0.19 CCCNC(=O)C(C)COC 240690a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4101 B10R0.19 CCCNC(=O)C(C)COC 527a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4102 B10R0.19 CCCNC(=O)C(C)CSC 11a_100020643023_100000753918 [0,2,0,0,0,0|1,1,0]=4 4103 B10R0.19 CCCNC(=O)C(C)CSC 1626a_100020643023_100000753918 [0,2,0,0,0,0|1,1,0]=4 4104 B10R0.19 CCCNC(=O)C(C)CSC 240690a_100020643023_100000753918 [0,2,0,0,0,0|1,1,0]=4 4105 B10R0.19 CCCNC(=O)C(C)CSC 527a_100020643023_100000753918 [0,2,0,0,0,0|1,1,0]=4 4106 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100015525214_100000230305 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100025744714_100000210202 [0,2,0,0,0,0|2,0,0]=4 4108 B10R0.19 CCCNC(=O)C(C)NCC 34a_100025744714_100000210202 [0,2,0,0,0,0|2,0,0]=4 4109 B10R0.19 CCCNC(=O)C(C)NCF 34a_100025744714_100015361967 [0,2,0,0,0,0|2,0,0]=4 4110 B10R0.19 CCCNC(=O)C(C)OCC 11a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4111 B10R0.19 CCCNC(=O)C(C)OCC 1626a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4112 B10R0.19 CCCNC(=O)C(C)OCC 240690a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4113 B10R0.19 CCCNC(=O)C(C)OCC 34a_100121572206_100000230305 [0,2,0,0,0,0|1,0,0]=3 4114 B10R0.19 CCCNC(=O)C(C)OCC 527a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4115 B10R0.19 CCCNC(=O)C(C)SCC 11a_100020643023_100000230601 [0,2,0,0,0,0|1,1,0]=4 4116 B10R0.19 CCCNC(=O)C(C)SCC 1626a_100020643023_100000230601 [0,2,0,0,0,0|1,1,0]=4 4117 B10R0.19 CCCNC(=O)C(C)SCC 240690a_100020643023_100000230601 [0,2,0,0,0,0|1,1,0]=4 4118 B10R0.19 CCCNC(=O)C(C)SCC 527a_100020643023_100000230601 [0,2,0,0,0,0|1,1,0]=4 4119 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000210202_100000230305 [0,2,0,0,0,0|1,1,0]=4 4120 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000230305_100000210202 [0,2,0,0,0,0|1,1,0]=4 4121 B10R0.19 CCCNC(=O)C(C)SCF 62a_100000230305_100015361967 [0,2,0,0,0,0|1,1,0]=4 4122 B10R0.19 CCCNC(=O)C(C)SCF 62a_100015361967_100000230305 [0,2,0,0,0,0|1,1,0]=4 4123 B10R0.19 CCCNC(=O)N(C)CCO 2708a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 4124 B10R0.19 CCCNC(=O)N(C)CCO 273464a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 4125 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,2,0,0,0,0|1,0,0]=3 4126 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [0,2,0,0,0,0|2,0,0]=4 4127 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [0,2,0,0,0,0|2,0,0]=4 4128 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [0,2,0,0,0,0|2,0,0]=4 4129 B10R0.19 CCCOC(=O)C(C)OCF 34a_100000037348_100015361967 [0,2,0,0,0,0|2,0,0]=4 4130 B10R0.19 CCCOC(=O)C(C)OCF 7a_100000037348_100015361967 [0,2,0,0,0,0|2,0,0]=4 4131 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|2,0,0]=4 4132 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|1,0,0]=3 4133 B10R0.19 CCC[C@H](O)C(=O)NCCF 240690a_100000724931_100009822183 [0,2,0,0,0,0|1,0,0]=3 4134 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,2,0,0,0,0|0,0,0]=2 4135 B10R0.19 CCC[C@H](O)C(=O)NNCC 22a_100000756455_100009822183 [0,2,0,0,0,0|2,0,0]=4 4136 B10R0.19 CCNC(=O)C(=O)NCCO 240690a_100000210304_200011297158 [0,2,0,0,0,0|0,0,2]=4 4137 B10R0.19 CCNC(=O)C(=O)NCCO 527a_100000210304_200011297158 [0,2,0,0,0,0|0,0,2]=4 4138 B10R0.19 CCNNC(=O)C(C)COC 22a_100000756455_100000751857 [0,2,0,0,0,0|2,0,0]=4 4139 B10R0.19 CCNNC(=O)C(C)OCC 22a_100000756455_100000739345 [0,2,0,0,0,0|2,0,0]=4 4140 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,2,0,0,0,0|0,0,2]=4 4141 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,2,0,0,0,0|2,0,0]=4 4142 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,2,0,0,0,0|1,0,0]=3 4143 B10R0.19 CCOC(C)C(=O)NCC#N 1626a_100000734998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4144 B10R0.19 CCOC(C)C(=O)NCC#N 527a_100000734998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4145 B10R0.19 CCOC(C)C(=O)NCCF 11a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4146 B10R0.19 CCOC(C)C(=O)NCCF 1626a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4147 B10R0.19 CCOC(C)C(=O)NCCF 240690a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4148 B10R0.19 CCOC(C)C(=O)NCCF 527a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4149 B10R0.19 CCOC(C)C(=O)NCCO 240690a_100000210304_100000739345 [0,2,0,0,0,0|0,0,0]=2 4150 B10R0.19 CCOC(C)C(=O)NCCO 527a_100000210304_100000739345 [0,2,0,0,0,0|0,0,0]=2 4151 B10R0.19 CCSC(C)C(=O)CCCO 1458a_100000230601_100011215043 [0,2,0,0,0,0|1,1,0]=4 4152 B10R0.19 CCSC(C)C(=O)NCCF 11a_100000724931_100000230601 [0,2,0,0,0,0|1,1,0]=4 4153 B10R0.19 CCSC(C)C(=O)NCCF 1626a_100000724931_100000230601 [0,2,0,0,0,0|1,1,0]=4 4154 B10R0.19 CCSC(C)C(=O)NCCF 240690a_100000724931_100000230601 [0,2,0,0,0,0|1,1,0]=4 4155 B10R0.19 CCSC(C)C(=O)NCCF 527a_100000724931_100000230601 [0,2,0,0,0,0|1,1,0]=4 4156 B10R0.19 CCSC(C)C(=O)NCCO 240690a_100000210304_100000230601 [0,2,0,0,0,0|0,1,0]=3 4157 B10R0.19 CCSC(C)C(=O)NCCO 527a_100000210304_100000230601 [0,2,0,0,0,0|0,1,0]=3 4158 B10R0.19 CN(CC#N)C(=O)NCCO 273464a_100000210304_100000748184 [0,2,0,0,0,0|2,0,0]=4 4159 B10R0.19 CN(CCO)C(=O)NCCF 273464a_100000724931_100000210263 [0,2,0,0,0,0|2,0,0]=4 4160 B10R0.19 CN(CCO)C(=O)NCCO 273464a_100000210304_100000210263 [0,2,0,0,0,0|1,0,0]=3 4161 B10R0.19 CO/N=C(\C)/C(=O)CCCO 1458a_100160996864_100011215043 [0,2,0,0,0,0|1,0,1]=4 4162 B10R0.19 CO/N=C(\C)/C(=O)NCCF 11a_100000724931_100160996864 [0,2,0,0,0,0|1,0,1]=4 4163 B10R0.19 CO/N=C(\C)/C(=O)NCCF 240690a_100000724931_100160996864 [0,2,0,0,0,0|1,0,1]=4 4164 B10R0.19 CO/N=C(\C)/C(=O)NCCO 240690a_100000210304_100160996864 [0,2,0,0,0,0|0,0,1]=3 4165 B10R0.19 COCC(C)C(=O)C#CCO 1458a_100000049017_100000765312 [0,2,0,0,0,0|1,0,1]=4 4166 B10R0.19 COCC(C)C(=O)CCCF 1458a_100000751857_100011934791 [0,2,0,0,0,0|2,0,0]=4 4167 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,2,0,0,0,0|1,0,0]=3 4168 B10R0.19 COCC(C)C(=O)NCC#N 1626a_100000734998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4169 B10R0.19 COCC(C)C(=O)NCC#N 527a_100000734998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4170 B10R0.19 COCC(C)C(=O)NCCF 11a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4171 B10R0.19 COCC(C)C(=O)NCCF 1626a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4172 B10R0.19 COCC(C)C(=O)NCCF 240690a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4173 B10R0.19 COCC(C)C(=O)NCCF 527a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4174 B10R0.19 COCC(C)C(=O)NCCO 240690a_100000210304_100000751857 [0,2,0,0,0,0|0,0,0]=2 4175 B10R0.19 COCC(C)C(=O)NCCO 527a_100000210304_100000751857 [0,2,0,0,0,0|0,0,0]=2 4176 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,2,0,0,0,0|1,1,0]=4 4177 B10R0.19 CSCC(C)C(=O)NCCF 11a_100000724931_100000753918 [0,2,0,0,0,0|1,1,0]=4 4178 B10R0.19 CSCC(C)C(=O)NCCF 1626a_100000724931_100000753918 [0,2,0,0,0,0|1,1,0]=4 4179 B10R0.19 CSCC(C)C(=O)NCCF 240690a_100000724931_100000753918 [0,2,0,0,0,0|1,1,0]=4 4180 B10R0.19 CSCC(C)C(=O)NCCF 527a_100000724931_100000753918 [0,2,0,0,0,0|1,1,0]=4 4181 B10R0.19 CSCC(C)C(=O)NCCO 240690a_100000210304_100000753918 [0,2,0,0,0,0|0,1,0]=3 4182 B10R0.19 CSCC(C)C(=O)NCCO 527a_100000210304_100000753918 [0,2,0,0,0,0|0,1,0]=3 4183 B10R0.21 C#CCNC(=O)C(CC)OC 11a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4184 B10R0.21 C#CCNC(=O)C(CC)OC 1626a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4185 B10R0.21 C#CCNC(=O)C(CC)OC 240690a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4186 B10R0.21 C#CCNC(=O)C(CC)OC 527a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4187 B10R0.21 C#CCNC(=O)C(OC)OC 11a_100000212058_100000046285 [0,2,0,0,0,0|1,0,1]=4 4188 B10R0.21 C#CCNC(=O)C(OC)OC 240690a_100000212058_100000046285 [0,2,0,0,0,0|1,0,1]=4 4189 B10R0.21 C#CCNC(=O)C(OC)OC 527a_100000212058_100000046285 [0,2,0,0,0,0|1,0,1]=4 4190 B10R0.21 C=CCNC(=O)C(CC)OC 1626a_100020586998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4191 B10R0.21 C=CCNC(=O)C(CC)OC 240690a_100020586998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4192 B10R0.21 C=CCNC(=O)C(CC)OC 527a_100020586998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4193 B10R0.21 C=CCNC(=O)C(OC)OC 240690a_100020586998_100000046285 [0,2,0,0,0,0|1,0,1]=4 4194 B10R0.21 C=CCNC(=O)C(OC)OC 527a_100020586998_100000046285 [0,2,0,0,0,0|1,0,1]=4 4195 B10R0.21 CCC(CC)C(=O)CCCO 1458a_100000211163_100011215043 [0,2,0,0,0,0|2,0,0]=4 4196 B10R0.21 CCC(CC)C(=O)NCCF 11a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 4197 B10R0.21 CCC(CC)C(=O)NCCF 1626a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 4198 B10R0.21 CCC(CC)C(=O)NCCF 240690a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 4199 B10R0.21 CCC(CC)C(=O)NCCF 527a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 4200 B10R0.21 CCC(CC)C(=O)NCCO 240690a_100000210304_100000211163 [0,2,0,0,0,0|1,0,0]=3 4201 B10R0.21 CCC(CC)C(=O)NCCO 527a_100000210304_100000211163 [0,2,0,0,0,0|1,0,0]=3 4202 B10R0.21 CCC(OC)C(=O)CCCF 1458a_100000747056_100011934791 [0,2,0,0,0,0|2,0,0]=4 4203 B10R0.21 CCC(OC)C(=O)CCCO 1458a_100000747056_100011215043 [0,2,0,0,0,0|1,0,0]=3 4204 B10R0.21 CCC(OC)C(=O)NCC#N 1626a_100000734998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4205 B10R0.21 CCC(OC)C(=O)NCC#N 527a_100000734998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4206 B10R0.21 CCC(OC)C(=O)NCCF 11a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4207 B10R0.21 CCC(OC)C(=O)NCCF 1626a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4208 B10R0.21 CCC(OC)C(=O)NCCF 240690a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4209 B10R0.21 CCC(OC)C(=O)NCCF 527a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4210 B10R0.21 CCC(OC)C(=O)NCCO 240690a_100000210304_100000747056 [0,2,0,0,0,0|0,0,0]=2 4211 B10R0.21 CCC(OC)C(=O)NCCO 527a_100000210304_100000747056 [0,2,0,0,0,0|0,0,0]=2 4212 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|2,0,0]=4 4213 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,2,0,0,0,0|2,0,0]=4 4214 B10R0.21 CCCNC(=O)C(CC)CC 11a_100020643023_100000211163 [0,2,0,0,0,0|2,0,0]=4 4215 B10R0.21 CCCNC(=O)C(CC)CC 1626a_100020643023_100000211163 [0,2,0,0,0,0|2,0,0]=4 4216 B10R0.21 CCCNC(=O)C(CC)CC 240690a_100020643023_100000211163 [0,2,0,0,0,0|2,0,0]=4 4217 B10R0.21 CCCNC(=O)C(CC)CC 527a_100020643023_100000211163 [0,2,0,0,0,0|2,0,0]=4 4218 B10R0.21 CCCNC(=O)C(CC)NC 2230a_106832991635_200011763335 [0,2,0,0,0,0|2,0,0]=4 4219 B10R0.21 CCCNC(=O)C(CC)NC 7a_106832991635_200011763335 [0,2,0,0,0,0|2,0,0]=4 4220 B10R0.21 CCCNC(=O)C(CC)OC 11a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4221 B10R0.21 CCCNC(=O)C(CC)OC 1626a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4222 B10R0.21 CCCNC(=O)C(CC)OC 240690a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4223 B10R0.21 CCCNC(=O)C(CC)OC 527a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4224 B10R0.21 CCCNC(=O)C(CC)SC 62a_200000210301_200011763335 [0,2,0,0,0,0|1,1,0]=4 4225 B10R0.21 CCCNC(=O)C(CC)SC 62a_200011763335_200000210301 [0,2,0,0,0,0|1,1,0]=4 4226 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200011763335_200025704644 [0,2,0,0,0,0|1,1,0]=4 4227 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763335 [0,2,0,0,0,0|1,1,0]=4 4228 B10R0.21 CCCNC(=O)C(OC)OC 11a_100020643023_100000046285 [0,2,0,0,0,0|1,0,0]=3 4229 B10R0.21 CCCNC(=O)C(OC)OC 240690a_100020643023_100000046285 [0,2,0,0,0,0|1,0,0]=3 4230 B10R0.21 CCCNC(=O)C(OC)OC 527a_100020643023_100000046285 [0,2,0,0,0,0|1,0,0]=3 4231 B10R0.21 CCN(CC)C(=O)NCCO 273464a_100000210304_100000724800 [0,2,0,0,0,0|2,0,0]=4 4232 B10R0.21 CCNNC(=O)C(CC)OC 22a_100000756455_100000747056 [0,2,0,0,0,0|2,0,0]=4 4233 B10R0.21 CCNNC(=O)C(OC)OC 22a_100000756455_100000046285 [0,2,0,0,0,0|2,0,0]=4 4234 B10R0.21 COC(OC)C(=O)CCCF 1458a_100000046285_100011934791 [0,2,0,0,0,0|2,0,0]=4 4235 B10R0.21 COC(OC)C(=O)CCCO 1458a_100000046285_100011215043 [0,2,0,0,0,0|1,0,0]=3 4236 B10R0.21 COC(OC)C(=O)NCC#N 527a_100000734998_100000046285 [0,2,0,0,0,0|1,0,1]=4 4237 B10R0.21 COC(OC)C(=O)NCCF 11a_100000724931_100000046285 [0,2,0,0,0,0|1,0,0]=3 4238 B10R0.21 COC(OC)C(=O)NCCF 240690a_100000724931_100000046285 [0,2,0,0,0,0|1,0,0]=3 4239 B10R0.21 COC(OC)C(=O)NCCF 527a_100000724931_100000046285 [0,2,0,0,0,0|1,0,0]=3 4240 B10R0.21 COC(OC)C(=O)NCCO 240690a_100000210304_100000046285 [0,2,0,0,0,0|0,0,0]=2 4241 B10R0.21 COC(OC)C(=O)NCCO 527a_100000210304_100000046285 [0,2,0,0,0,0|0,0,0]=2 4242 B10R0.21 COC(OC)C(C)NCCO 270004a_100000210304_100000211384 [0,2,0,0,0,0|1,0,1]=4 4243 B10R0.21 COC(OC)C(C)NCCO 34a_100016990907_100011222894 [0,2,0,0,0,0|1,0,1]=4 4244 B10R0.46 C#CC(C)NC(=O)C(C)OC 11a_100000707721_100000743197 [0,2,0,0,0,0|1,0,1]=4 4245 B10R0.46 C#CC(C)NC(=O)C(C)OC 1626a_100000707721_100000743197 [0,2,0,0,0,0|1,0,1]=4 4246 B10R0.46 C#CC(C)NC(=O)C(C)OC 240690a_100000707721_100000743197 [0,2,0,0,0,0|1,0,1]=4 4247 B10R0.46 C#CC(C)NC(=O)C(C)OC 527a_100000707721_100000743197 [0,2,0,0,0,0|1,0,1]=4 4248 B10R0.46 C#CC(C)NC(=O)C(O)CC 240690a_100000707721_100011196387 [0,2,0,0,0,0|1,0,1]=4 4249 B10R0.46 C#CC(C)NC(=O)C(O)CO 240690a_100000707721_100011215603 [0,2,0,0,0,0|1,0,1]=4 4250 B10R0.46 C=CC(C)C(=O)C[C@@H](C)CO 1458a_100011216780_100000059175 [0,2,0,0,0,0|2,0,0]=4 4251 B10R0.46 C=CC(C)C(=O)NC(C)CC 11a_100000209981_100011216780 [0,2,0,0,0,0|2,0,0]=4 4252 B10R0.46 C=CC(C)C(=O)NC(C)CC 1626a_100000209981_100011216780 [0,2,0,0,0,0|2,0,0]=4 4253 B10R0.46 C=CC(C)C(=O)NC(C)CC 240690a_100000209981_100011216780 [0,2,0,0,0,0|2,0,0]=4 4254 B10R0.46 C=CC(C)C(=O)NC(C)CC 527a_100000209981_100011216780 [0,2,0,0,0,0|2,0,0]=4 4255 B10R0.46 C=CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100011216780 [0,2,0,0,0,0|2,0,0]=4 4256 B10R0.46 C=CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100011216780 [0,2,0,0,0,0|2,0,0]=4 4257 B10R0.46 C=CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100011216780 [0,2,0,0,0,0|2,0,0]=4 4258 B10R0.46 C=CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100011216780 [0,2,0,0,0,0|2,0,0]=4 4259 B10R0.46 C=CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011216780 [0,2,0,0,0,0|1,0,0]=3 4260 B10R0.46 C=CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011216780 [0,2,0,0,0,0|1,0,0]=3 4261 B10R0.46 CC(C#N)C(=O)C[C@@H](C)CO 1458a_100000753662_100000059175 [0,2,0,0,0,0|2,0,0]=4 4262 B10R0.46 CC(C#N)C(=O)N[C@H](C)CF 11a_100102880703_100000753662 [0,2,0,0,0,0|2,0,0]=4 4263 B10R0.46 CC(C#N)C(=O)N[C@H](C)CF 1626a_100102880703_100000753662 [0,2,0,0,0,0|2,0,0]=4 4264 B10R0.46 CC(C#N)C(=O)N[C@H](C)CF 240690a_100102880703_100000753662 [0,2,0,0,0,0|2,0,0]=4 4265 B10R0.46 CC(C#N)C(=O)N[C@H](C)CF 527a_100102880703_100000753662 [0,2,0,0,0,0|2,0,0]=4 4266 B10R0.46 CC(C#N)C(=O)N[C@H](C)CO 240690a_100000737577_100000753662 [0,2,0,0,0,0|1,0,0]=3 4267 B10R0.46 CC(C#N)C(=O)N[C@H](C)CO 527a_100000737577_100000753662 [0,2,0,0,0,0|1,0,0]=3 4268 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,2,0,0,0,0|2,0,0]=4 4269 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 4270 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 4271 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 4272 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 4273 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,2,0,0,0,0|1,0,0]=3 4274 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,2,0,0,0,0|1,0,0]=3 4275 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,2,0,0,0,0|2,0,0]=4 4276 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|2,0,0]=4 4277 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,2,0,0,0,0|2,0,0]=4 4278 B10R0.46 CCC(C)NC(=O)C(C)C#N 11a_100000209981_100000753662 [0,2,0,0,0,0|2,0,0]=4 4279 B10R0.46 CCC(C)NC(=O)C(C)C#N 1626a_100000209981_100000753662 [0,2,0,0,0,0|2,0,0]=4 4280 B10R0.46 CCC(C)NC(=O)C(C)C#N 240690a_100000209981_100000753662 [0,2,0,0,0,0|2,0,0]=4 4281 B10R0.46 CCC(C)NC(=O)C(C)C#N 527a_100000209981_100000753662 [0,2,0,0,0,0|2,0,0]=4 4282 B10R0.46 CCC(C)NC(=O)C(C)CC 11a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 4283 B10R0.46 CCC(C)NC(=O)C(C)CC 1626a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 4284 B10R0.46 CCC(C)NC(=O)C(C)CC 240690a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 4285 B10R0.46 CCC(C)NC(=O)C(C)CC 527a_100000209981_100011192722 [0,2,0,0,0,0|2,0,0]=4 4286 B10R0.46 CCC(C)NC(=O)C(C)NC 2230a_106832991635_100000735909 [0,2,0,0,0,0|2,0,0]=4 4287 B10R0.46 CCC(C)NC(=O)C(C)NC 7a_106832991635_100000735909 [0,2,0,0,0,0|2,0,0]=4 4288 B10R0.46 CCC(C)NC(=O)C(C)OC 11a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 4289 B10R0.46 CCC(C)NC(=O)C(C)OC 1626a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 4290 B10R0.46 CCC(C)NC(=O)C(C)OC 240690a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 4291 B10R0.46 CCC(C)NC(=O)C(C)OC 527a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 4292 B10R0.46 CCC(C)NC(=O)C(C)SC 11a_100000209981_100000149566 [0,2,0,0,0,0|1,1,0]=4 4293 B10R0.46 CCC(C)NC(=O)C(C)SC 1626a_100000209981_100000149566 [0,2,0,0,0,0|1,1,0]=4 4294 B10R0.46 CCC(C)NC(=O)C(C)SC 240690a_100000209981_100000149566 [0,2,0,0,0,0|1,1,0]=4 4295 B10R0.46 CCC(C)NC(=O)C(C)SC 527a_100000209981_100000149566 [0,2,0,0,0,0|1,1,0]=4 4296 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_100000735909_200000210301 [0,2,0,0,0,0|1,1,0]=4 4297 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_200000210301_100000735909 [0,2,0,0,0,0|1,1,0]=4 4298 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_100000735909_200025704644 [0,2,0,0,0,0|1,1,0]=4 4299 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735909 [0,2,0,0,0,0|1,1,0]=4 4300 B10R0.46 CCC(C)NC(=O)C(O)CC 240690a_100000209981_100011196387 [0,2,0,0,0,0|1,0,0]=3 4301 B10R0.46 CCC(C)NC(=O)C(O)CO 240690a_100000209981_100011215603 [0,2,0,0,0,0|1,0,0]=3 4302 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|2,0,0]=4 4303 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,2,0,0,0,0|1,0,0]=3 4304 B10R0.46 CCC(O)C(=O)N[C@H](C)CF 240690a_100102880703_100011196387 [0,2,0,0,0,0|1,0,0]=3 4305 B10R0.46 CCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011196387 [0,2,0,0,0,0|0,0,0]=2 4306 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,2,0,0,0,0|2,0,0]=4 4307 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|2,0,0]=4 4308 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,2,0,0,0,0|2,0,0]=4 4309 B10R0.46 CCN(C)C(=O)N[C@H](C)CO 273464a_100000737577_100000225621 [0,2,0,0,0,0|2,0,0]=4 4310 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,2,0,0,0,0|2,0,0]=4 4311 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,2,0,0,0,0|2,0,0]=4 4312 B10R0.46 CNC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100011218921 [0,2,0,0,0,0|0,0,2]=4 4313 B10R0.46 CNC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100011218921 [0,2,0,0,0,0|0,0,2]=4 4314 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100000024059 [0,2,0,0,0,0|0,0,2]=4 4315 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100000024059 [0,2,0,0,0,0|0,0,2]=4 4316 B10R0.46 COC(C)C(=O)C[C@@H](C)CO 1458a_100000743197_100000059175 [0,2,0,0,0,0|1,0,0]=3 4317 B10R0.46 COC(C)C(=O)NC(C)C#N 11a_100000737613_100000743197 [0,2,0,0,0,0|1,0,1]=4 4318 B10R0.46 COC(C)C(=O)NC(C)C#N 1626a_100000737613_100000743197 [0,2,0,0,0,0|1,0,1]=4 4319 B10R0.46 COC(C)C(=O)NC(C)C#N 527a_100000737613_100000743197 [0,2,0,0,0,0|1,0,1]=4 4320 B10R0.46 COC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000743197 [0,2,0,0,0,0|1,0,0]=3 4321 B10R0.46 COC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000743197 [0,2,0,0,0,0|1,0,0]=3 4322 B10R0.46 COC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000743197 [0,2,0,0,0,0|1,0,0]=3 4323 B10R0.46 COC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000743197 [0,2,0,0,0,0|1,0,0]=3 4324 B10R0.46 COC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000743197 [0,2,0,0,0,0|0,0,0]=2 4325 B10R0.46 COC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000743197 [0,2,0,0,0,0|0,0,0]=2 4326 B10R0.46 CSC(C)C(=O)C[C@@H](C)CO 1458a_100000149566_100000059175 [0,2,0,0,0,0|1,1,0]=4 4327 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000149566 [0,2,0,0,0,0|1,1,0]=4 4328 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000149566 [0,2,0,0,0,0|1,1,0]=4 4329 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000149566 [0,2,0,0,0,0|1,1,0]=4 4330 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000149566 [0,2,0,0,0,0|1,1,0]=4 4331 B10R0.46 CSC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000149566 [0,2,0,0,0,0|0,1,0]=3 4332 B10R0.46 CSC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000149566 [0,2,0,0,0,0|0,1,0]=3 4333 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,2,0,0,0,0|1,0,0]=3 4334 B10R0.46 C[C@H](CF)NC(=O)C(O)CO 240690a_100102880703_100011215603 [0,2,0,0,0,0|1,0,0]=3 4335 B10R0.46 C[C@H](CO)NC(=O)C(O)CO 240690a_100000737577_100011215603 [0,2,0,0,0,0|0,0,0]=2 4336 B10R0.83 C#CC(C)C(=O)CCCCO 1458a_100000695505_200000035995 [0,2,0,0,0,0|2,0,0]=4 4337 B10R0.83 C#CC(C)C(=O)CCCOC 1458a_100000741012_200000035995 [0,2,0,0,0,0|2,0,0]=4 4338 B10R0.83 C#CC(C)C(=O)COCCO 1458a_100000708028_200000035995 [0,2,0,0,0,0|2,0,0]=4 4339 B10R0.83 C#CCCCC(=O)C(C)OC 1458a_100000743197_100000731252 [0,2,0,0,0,0|2,0,0]=4 4340 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,2,0,0,0,0|2,0,0]=4 4341 B10R0.83 C#CCCCC(=O)C(O)CO 1458a_100011215603_100000731252 [0,2,0,0,0,0|2,0,0]=4 4342 B10R0.83 C#CCCNC(=O)C(C)C#N 11a_100000755551_100000753662 [0,2,0,0,0,0|2,0,0]=4 4343 B10R0.83 C#CCCNC(=O)C(C)C#N 1626a_100000755551_100000753662 [0,2,0,0,0,0|2,0,0]=4 4344 B10R0.83 C#CCCNC(=O)C(C)C#N 240690a_100000755551_100000753662 [0,2,0,0,0,0|2,0,0]=4 4345 B10R0.83 C#CCCNC(=O)C(C)C#N 527a_100000755551_100000753662 [0,2,0,0,0,0|2,0,0]=4 4346 B10R0.83 C#CCCNC(=O)C(C)C=C 11a_100000755551_100011216780 [0,2,0,0,0,0|2,0,0]=4 4347 B10R0.83 C#CCCNC(=O)C(C)C=C 1626a_100000755551_100011216780 [0,2,0,0,0,0|2,0,0]=4 4348 B10R0.83 C#CCCNC(=O)C(C)C=C 240690a_100000755551_100011216780 [0,2,0,0,0,0|2,0,0]=4 4349 B10R0.83 C#CCCNC(=O)C(C)C=C 527a_100000755551_100011216780 [0,2,0,0,0,0|2,0,0]=4 4350 B10R0.83 C#CCCNC(=O)C(C)CC 11a_100000755551_100011192722 [0,2,0,0,0,0|2,0,0]=4 4351 B10R0.83 C#CCCNC(=O)C(C)CC 1626a_100000755551_100011192722 [0,2,0,0,0,0|2,0,0]=4 4352 B10R0.83 C#CCCNC(=O)C(C)CC 240690a_100000755551_100011192722 [0,2,0,0,0,0|2,0,0]=4 4353 B10R0.83 C#CCCNC(=O)C(C)CC 527a_100000755551_100011192722 [0,2,0,0,0,0|2,0,0]=4 4354 B10R0.83 C#CCCNC(=O)C(C)OC 11a_100000755551_100000743197 [0,2,0,0,0,0|1,0,0]=3 4355 B10R0.83 C#CCCNC(=O)C(C)OC 1626a_100000755551_100000743197 [0,2,0,0,0,0|1,0,0]=3 4356 B10R0.83 C#CCCNC(=O)C(C)OC 240690a_100000755551_100000743197 [0,2,0,0,0,0|1,0,0]=3 4357 B10R0.83 C#CCCNC(=O)C(C)OC 527a_100000755551_100000743197 [0,2,0,0,0,0|1,0,0]=3 4358 B10R0.83 C#CCCNC(=O)C(C)SC 11a_100000755551_100000149566 [0,2,0,0,0,0|1,1,0]=4 4359 B10R0.83 C#CCCNC(=O)C(C)SC 1626a_100000755551_100000149566 [0,2,0,0,0,0|1,1,0]=4 4360 B10R0.83 C#CCCNC(=O)C(C)SC 240690a_100000755551_100000149566 [0,2,0,0,0,0|1,1,0]=4 4361 B10R0.83 C#CCCNC(=O)C(C)SC 527a_100000755551_100000149566 [0,2,0,0,0,0|1,1,0]=4 4362 B10R0.83 C#CCCNC(=O)C(O)CC 240690a_100000755551_100011196387 [0,2,0,0,0,0|1,0,0]=3 4363 B10R0.83 C#CCCNC(=O)C(O)CO 240690a_100000755551_100011215603 [0,2,0,0,0,0|1,0,0]=3 4364 B10R0.83 C/C=C(\C)/C(=O)NCCOC 1626a_100000209980_100020587367 [0,2,0,0,0,0|1,0,1]=4 4365 B10R0.83 C/C=C(\C)/C(=O)NNCCO 22a_100000210001_100020587367 [0,2,0,0,0,0|1,0,1]=4 4366 B10R0.83 C=C(CO)C(=O)NNCCO 22a_100000210001_200000705526 [0,2,0,0,0,0|0,0,2]=4 4367 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|2,0,0]=4 4368 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|2,0,0]=4 4369 B10R0.83 C=CC(C)C(=O)NCCC#N 11a_100000720768_100011216780 [0,2,0,0,0,0|2,0,0]=4 4370 B10R0.83 C=CC(C)C(=O)NCCC#N 1626a_100000720768_100011216780 [0,2,0,0,0,0|2,0,0]=4 4371 B10R0.83 C=CC(C)C(=O)NCCC#N 240690a_100000720768_100011216780 [0,2,0,0,0,0|2,0,0]=4 4372 B10R0.83 C=CC(C)C(=O)NCCC#N 527a_100000720768_100011216780 [0,2,0,0,0,0|2,0,0]=4 4373 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 4374 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 4375 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 4376 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 4377 B10R0.83 C=CC(C)C(=O)NCCCF 11a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4378 B10R0.83 C=CC(C)C(=O)NCCCF 1626a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4379 B10R0.83 C=CC(C)C(=O)NCCCF 240690a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4380 B10R0.83 C=CC(C)C(=O)NCCCF 527a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 4381 B10R0.83 C=CC(C)C(=O)NCCCO 240690a_100000182051_100011216780 [0,2,0,0,0,0|1,0,0]=3 4382 B10R0.83 C=CC(C)C(=O)NCCCO 527a_100000182051_100011216780 [0,2,0,0,0,0|1,0,0]=3 4383 B10R0.83 C=CC(C)C(=O)NCCOC 1626a_100000209980_100011216780 [0,2,0,0,0,0|1,0,0]=3 4384 B10R0.83 C=CC(C)C(=O)NCCOC 240690a_100000209980_100011216780 [0,2,0,0,0,0|1,0,0]=3 4385 B10R0.83 C=CC(C)C(=O)NCCOC 527a_100000209980_100011216780 [0,2,0,0,0,0|1,0,0]=3 4386 B10R0.83 C=CC(C)C(=O)NCCSC 11a_100020590264_100011216780 [0,2,0,0,0,0|1,1,0]=4 4387 B10R0.83 C=CC(C)C(=O)NCCSC 1626a_100020590264_100011216780 [0,2,0,0,0,0|1,1,0]=4 4388 B10R0.83 C=CC(C)C(=O)NCCSC 240690a_100020590264_100011216780 [0,2,0,0,0,0|1,1,0]=4 4389 B10R0.83 C=CC(C)C(=O)NCCSC 527a_100020590264_100011216780 [0,2,0,0,0,0|1,1,0]=4 4390 B10R0.83 C=CC(C)C(=O)NNCCC 22a_100000740057_100011216780 [0,2,0,0,0,0|2,0,0]=4 4391 B10R0.83 C=CC(C)C(=O)NNCCO 22a_100000210001_100011216780 [0,2,0,0,0,0|1,0,0]=3 4392 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,2,0,0,0,0|2,0,0]=4 4393 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|2,0,0]=4 4394 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [0,2,0,0,0,0|2,0,0]=4 4395 B10R0.83 C=CCCNC(=O)C(C)C#N 11a_100015191253_100000753662 [0,2,0,0,0,0|2,0,0]=4 4396 B10R0.83 C=CCCNC(=O)C(C)C#N 1626a_100015191253_100000753662 [0,2,0,0,0,0|2,0,0]=4 4397 B10R0.83 C=CCCNC(=O)C(C)C#N 240690a_100015191253_100000753662 [0,2,0,0,0,0|2,0,0]=4 4398 B10R0.83 C=CCCNC(=O)C(C)C#N 527a_100015191253_100000753662 [0,2,0,0,0,0|2,0,0]=4 4399 B10R0.83 C=CCCNC(=O)C(C)C=C 11a_100015191253_100011216780 [0,2,0,0,0,0|2,0,0]=4 4400 B10R0.83 C=CCCNC(=O)C(C)C=C 1626a_100015191253_100011216780 [0,2,0,0,0,0|2,0,0]=4 4401 B10R0.83 C=CCCNC(=O)C(C)C=C 240690a_100015191253_100011216780 [0,2,0,0,0,0|2,0,0]=4 4402 B10R0.83 C=CCCNC(=O)C(C)C=C 527a_100015191253_100011216780 [0,2,0,0,0,0|2,0,0]=4 4403 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [0,2,0,0,0,0|2,0,0]=4 4404 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [0,2,0,0,0,0|2,0,0]=4 4405 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [0,2,0,0,0,0|2,0,0]=4 4406 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [0,2,0,0,0,0|2,0,0]=4 4407 B10R0.83 C=CCCNC(=O)C(C)OC 11a_100015191253_100000743197 [0,2,0,0,0,0|1,0,0]=3 4408 B10R0.83 C=CCCNC(=O)C(C)OC 1626a_100015191253_100000743197 [0,2,0,0,0,0|1,0,0]=3 4409 B10R0.83 C=CCCNC(=O)C(C)OC 240690a_100015191253_100000743197 [0,2,0,0,0,0|1,0,0]=3 4410 B10R0.83 C=CCCNC(=O)C(C)OC 527a_100015191253_100000743197 [0,2,0,0,0,0|1,0,0]=3 4411 B10R0.83 C=CCCNC(=O)C(C)SC 11a_100015191253_100000149566 [0,2,0,0,0,0|1,1,0]=4 4412 B10R0.83 C=CCCNC(=O)C(C)SC 1626a_100015191253_100000149566 [0,2,0,0,0,0|1,1,0]=4 4413 B10R0.83 C=CCCNC(=O)C(C)SC 240690a_100015191253_100000149566 [0,2,0,0,0,0|1,1,0]=4 4414 B10R0.83 C=CCCNC(=O)C(C)SC 527a_100015191253_100000149566 [0,2,0,0,0,0|1,1,0]=4 4415 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [0,2,0,0,0,0|1,0,0]=3 4416 B10R0.83 C=CCCNC(=O)C(O)CO 240690a_100015191253_100011215603 [0,2,0,0,0,0|1,0,0]=3 4417 B10R0.83 C=CCNNC(=O)C(C)OC 22a_100020588587_100000743197 [0,2,0,0,0,0|1,0,1]=4 4418 B10R0.83 C=CCNNC(=O)C(O)CC 22a_100020588587_100011196387 [0,2,0,0,0,0|1,0,1]=4 4419 B10R0.83 C=CCNNC(=O)C(O)CO 22a_100020588587_100011215603 [0,2,0,0,0,0|1,0,1]=4 4420 B10R0.83 CC#CCNC(=O)C(C)OC 11a_100000685387_100000743197 [0,2,0,0,0,0|1,0,1]=4 4421 B10R0.83 CC#CCNC(=O)C(C)OC 1626a_100000685387_100000743197 [0,2,0,0,0,0|1,0,1]=4 4422 B10R0.83 CC#CCNC(=O)C(C)OC 527a_100000685387_100000743197 [0,2,0,0,0,0|1,0,1]=4 4423 B10R0.83 CC(=NNCCO)C(C)C#N 4a_100000210001_100000741742 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.83 CC(=NNCCO)C(C)CO 4a_100000210001_100000032740 [0,2,0,0,0,0|1,0,0]=3 4425 B10R0.83 CC(=NO)C(=NNCCO)C 4a_100000210001_100000066335 [0,2,0,0,0,0|1,0,1]=4 4426 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000695505_100000703298 [0,2,0,0,0,0|2,0,0]=4 4427 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000753662_100000210776 [0,2,0,0,0,0|2,0,0]=4 4428 B10R0.83 CC(C#N)C(=O)COCCO 1458a_100000708028_100000703298 [0,2,0,0,0,0|2,0,0]=4 4429 B10R0.83 CC(C#N)C(=O)NCCC#N 11a_100000720768_100000753662 [0,2,0,0,0,0|2,0,0]=4 4430 B10R0.83 CC(C#N)C(=O)NCCC#N 1626a_100000720768_100000753662 [0,2,0,0,0,0|2,0,0]=4 4431 B10R0.83 CC(C#N)C(=O)NCCC#N 240690a_100000720768_100000753662 [0,2,0,0,0,0|2,0,0]=4 4432 B10R0.83 CC(C#N)C(=O)NCCC#N 527a_100000720768_100000753662 [0,2,0,0,0,0|2,0,0]=4 4433 B10R0.83 CC(C#N)C(=O)NCCCF 11a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 4434 B10R0.83 CC(C#N)C(=O)NCCCF 1626a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 4435 B10R0.83 CC(C#N)C(=O)NCCCF 240690a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 4436 B10R0.83 CC(C#N)C(=O)NCCCF 527a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 4437 B10R0.83 CC(C#N)C(=O)NCCCO 240690a_100000182051_100000753662 [0,2,0,0,0,0|1,0,0]=3 4438 B10R0.83 CC(C#N)C(=O)NCCCO 527a_100000182051_100000753662 [0,2,0,0,0,0|1,0,0]=3 4439 B10R0.83 CC(C#N)C(=O)NNCCO 22a_100000210001_100000753662 [0,2,0,0,0,0|1,0,0]=3 4440 B10R0.83 CCC(C)C(=NNCCO)C 4a_100000210001_100000210599 [0,2,0,0,0,0|2,0,0]=4 4441 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|2,0,0]=4 4442 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|2,0,0]=4 4443 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|2,0,0]=4 4444 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|2,0,0]=4 4445 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [0,2,0,0,0,0|2,0,0]=4 4446 B10R0.83 CCC(C)C(=O)NCCC#N 11a_100000720768_100011192722 [0,2,0,0,0,0|2,0,0]=4 4447 B10R0.83 CCC(C)C(=O)NCCC#N 1626a_100000720768_100011192722 [0,2,0,0,0,0|2,0,0]=4 4448 B10R0.83 CCC(C)C(=O)NCCC#N 240690a_100000720768_100011192722 [0,2,0,0,0,0|2,0,0]=4 4449 B10R0.83 CCC(C)C(=O)NCCC#N 527a_100000720768_100011192722 [0,2,0,0,0,0|2,0,0]=4 4450 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 4451 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 4452 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 4453 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 4454 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 4455 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 4456 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 4457 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 4458 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 4459 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,2,0,0,0,0|1,1,0]=4 4460 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,2,0,0,0,0|1,1,0]=4 4461 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,2,0,0,0,0|1,1,0]=4 4462 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,2,0,0,0,0|1,1,0]=4 4463 B10R0.83 CCC(C)C(=O)NNCCO 22a_100000210001_100011192722 [0,2,0,0,0,0|1,0,0]=3 4464 B10R0.83 CCC(O)C(=O)CC#CCO 1458a_100011196387_200000047223 [0,2,0,0,0,0|1,0,1]=4 4465 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,2,0,0,0,0|2,0,0]=4 4466 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|2,0,0]=4 4467 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|1,0,0]=3 4468 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|1,0,0]=3 4469 B10R0.83 CCC(O)C(=O)NCCC#N 240690a_100000720768_100011196387 [0,2,0,0,0,0|1,0,0]=3 4470 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,2,0,0,0,0|1,0,0]=3 4471 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,2,0,0,0,0|0,0,0]=2 4472 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,2,0,0,0,0|0,0,0]=2 4473 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|0,1,0]=3 4474 B10R0.83 CCC(O)C(=O)NNCCO 22a_100000210001_100011196387 [0,2,0,0,0,0|0,0,0]=2 4475 B10R0.83 CCC=NNC(=O)C(C)OC 4a_100000243824_100000210100 [0,2,0,0,0,0|1,0,1]=4 4476 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|2,0,0]=4 4477 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|2,0,0]=4 4478 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|2,0,0]=4 4479 B10R0.83 CCCCNC(=O)C(C)C#N 11a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.83 CCCCNC(=O)C(C)C#N 1626a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.83 CCCCNC(=O)C(C)C#N 240690a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.83 CCCCNC(=O)C(C)C#N 527a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 4483 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 4490 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 4491 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 4492 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 4493 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|1,0,0]=3 4494 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 4495 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 4496 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 4497 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 4498 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 4499 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|1,1,0]=4 4500 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|1,1,0]=4 4501 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|1,1,0]=4 4502 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|1,1,0]=4 4503 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|1,0,0]=3 4504 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|1,0,0]=3 4505 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|2,0,0]=4 4506 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|2,0,0]=4 4510 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.83 CCCNN=C(C)C(C)CO 4a_100000740057_100000032740 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.83 CCCNNC(=O)C(C)C#N 22a_100000740057_100000753662 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,2,0,0,0,0|1,0,0]=3 4515 B10R0.83 CCCNNC(=O)C(C)SC 22a_100000740057_100000149566 [0,2,0,0,0,0|1,1,0]=4 4516 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,2,0,0,0,0|1,0,0]=3 4517 B10R0.83 CCCNNC(=O)C(O)CO 22a_100000740057_100011215603 [0,2,0,0,0,0|1,0,0]=3 4518 B10R0.83 CCN(C)C(=O)CNCCO 2230a_100016997473_100000738999 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.83 CCN(C)C(=O)CNCCO 34a_100016990907_100000738999 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.83 CCN(C)C(=O)NCCCO 273464a_100000182051_100000225621 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.83 CCN(C)C(=O)NCCOC 273464a_100000209980_100000225621 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.83 CNC(=O)C(=O)NCCCO 240690a_100000182051_100011218921 [0,2,0,0,0,0|0,0,2]=4 4529 B10R0.83 CNC(=O)C(=O)NCCCO 527a_100000182051_100011218921 [0,2,0,0,0,0|0,0,2]=4 4530 B10R0.83 CNC(=O)C(=O)NCCOC 1626a_100000209980_100011218921 [0,2,0,0,0,0|0,0,2]=4 4531 B10R0.83 CNC(=O)C(=O)NCCOC 240690a_100000209980_100011218921 [0,2,0,0,0,0|0,0,2]=4 4532 B10R0.83 CNC(=O)C(=O)NCCOC 527a_100000209980_100011218921 [0,2,0,0,0,0|0,0,2]=4 4533 B10R0.83 CNC(=O)C(=O)NNCCO 22a_100000210001_100011218921 [0,2,0,0,0,0|0,0,2]=4 4534 B10R0.83 CNC(C)C(=O)NCCOC 2230a_106832991635_100000230274 [0,2,0,0,0,0|1,0,0]=3 4535 B10R0.83 CNC(C)C(=O)NCCOC 7a_106832991635_100000230274 [0,2,0,0,0,0|1,0,0]=3 4536 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|0,0,2]=4 4537 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|0,0,2]=4 4538 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|0,0,2]=4 4539 B10R0.83 COC(C)C(=O)CC#CCO 1458a_100000743197_200000047223 [0,2,0,0,0,0|1,0,1]=4 4540 B10R0.83 COC(C)C(=O)CCCC#N 1458a_100000743197_100000211468 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|1,0,0]=3 4543 B10R0.83 COC(C)C(=O)NCCC#N 11a_100000720768_100000743197 [0,2,0,0,0,0|1,0,0]=3 4544 B10R0.83 COC(C)C(=O)NCCC#N 1626a_100000720768_100000743197 [0,2,0,0,0,0|1,0,0]=3 4545 B10R0.83 COC(C)C(=O)NCCC#N 240690a_100000720768_100000743197 [0,2,0,0,0,0|1,0,0]=3 4546 B10R0.83 COC(C)C(=O)NCCC#N 527a_100000720768_100000743197 [0,2,0,0,0,0|1,0,0]=3 4547 B10R0.83 COC(C)C(=O)NCCCF 11a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 4548 B10R0.83 COC(C)C(=O)NCCCF 1626a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 4549 B10R0.83 COC(C)C(=O)NCCCF 240690a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 4550 B10R0.83 COC(C)C(=O)NCCCF 527a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 4551 B10R0.83 COC(C)C(=O)NCCCO 240690a_100000182051_100000743197 [0,2,0,0,0,0|0,0,0]=2 4552 B10R0.83 COC(C)C(=O)NCCCO 527a_100000182051_100000743197 [0,2,0,0,0,0|0,0,0]=2 4553 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|0,1,0]=3 4554 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|0,1,0]=3 4555 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|0,1,0]=3 4556 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|0,1,0]=3 4557 B10R0.83 COC(C)C(=O)NNCCO 22a_100000210001_100000743197 [0,2,0,0,0,0|0,0,0]=2 4558 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000741012_100000703298 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000753662_100000740836 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|1,0,0]=3 4561 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|1,1,0]=4 4562 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,0,0]=3 4563 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|0,0,2]=4 4564 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|0,0,2]=4 4565 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|0,0,2]=4 4566 B10R0.83 COCCNC(=O)C(C)C#N 1626a_100000209980_100000753662 [0,2,0,0,0,0|1,0,0]=3 4567 B10R0.83 COCCNC(=O)C(C)C#N 240690a_100000209980_100000753662 [0,2,0,0,0,0|1,0,0]=3 4568 B10R0.83 COCCNC(=O)C(C)C#N 527a_100000209980_100000753662 [0,2,0,0,0,0|1,0,0]=3 4569 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|0,0,0]=2 4570 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|0,0,0]=2 4571 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|0,0,0]=2 4572 B10R0.83 COCCNC(=O)C(C)SC 1626a_100000209980_100000149566 [0,2,0,0,0,0|0,1,0]=3 4573 B10R0.83 COCCNC(=O)C(C)SC 240690a_100000209980_100000149566 [0,2,0,0,0,0|0,1,0]=3 4574 B10R0.83 COCCNC(=O)C(C)SC 527a_100000209980_100000149566 [0,2,0,0,0,0|0,1,0]=3 4575 B10R0.83 COCCNC(=O)C(C)SC 62a_100000230274_200000210301 [0,2,0,0,0,0|0,1,0]=3 4576 B10R0.83 COCCNC(=O)C(C)SC 62a_200000210301_100000230274 [0,2,0,0,0,0|0,1,0]=3 4577 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_100000230274_200025704644 [0,2,0,0,0,0|0,1,0]=3 4578 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230274 [0,2,0,0,0,0|0,1,0]=3 4579 B10R0.83 COCCNC(=O)C(O)CO 240690a_100000209980_100011215603 [0,2,0,0,0,0|0,0,0]=2 4580 B10R0.83 CON(C)C(=O)CNCCF 2230a_100015207273_100011217306 [0,2,0,0,0,0|2,0,0]=4 4581 B10R0.83 CON(C)C(=O)CNCCO 2230a_100015207273_100000211926 [0,2,0,0,0,0|1,0,0]=3 4582 B10R0.83 CON(C)C(=O)CNCCO 2230a_100016997473_100000764215 [0,2,0,0,0,0|1,0,0]=3 4583 B10R0.83 CON(C)C(=O)CSCCO 62a_100000211926_100000764215 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.83 CON(C)C(=O)CSCCO 62a_100000764215_100000211926 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.83 CSC(C)C(=NNCCO)C 4a_100000210001_200011218923 [0,2,0,0,0,0|1,1,0]=4 4586 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|1,1,0]=4 4587 B10R0.83 CSC(C)C(=O)NCCC#N 11a_100000720768_100000149566 [0,2,0,0,0,0|1,1,0]=4 4588 B10R0.83 CSC(C)C(=O)NCCC#N 1626a_100000720768_100000149566 [0,2,0,0,0,0|1,1,0]=4 4589 B10R0.83 CSC(C)C(=O)NCCC#N 240690a_100000720768_100000149566 [0,2,0,0,0,0|1,1,0]=4 4590 B10R0.83 CSC(C)C(=O)NCCC#N 527a_100000720768_100000149566 [0,2,0,0,0,0|1,1,0]=4 4591 B10R0.83 CSC(C)C(=O)NCCCF 11a_100015189416_100000149566 [0,2,0,0,0,0|1,1,0]=4 4592 B10R0.83 CSC(C)C(=O)NCCCF 1626a_100015189416_100000149566 [0,2,0,0,0,0|1,1,0]=4 4593 B10R0.83 CSC(C)C(=O)NCCCF 240690a_100015189416_100000149566 [0,2,0,0,0,0|1,1,0]=4 4594 B10R0.83 CSC(C)C(=O)NCCCF 527a_100015189416_100000149566 [0,2,0,0,0,0|1,1,0]=4 4595 B10R0.83 CSC(C)C(=O)NCCCO 240690a_100000182051_100000149566 [0,2,0,0,0,0|0,1,0]=3 4596 B10R0.83 CSC(C)C(=O)NCCCO 527a_100000182051_100000149566 [0,2,0,0,0,0|0,1,0]=3 4597 B10R0.83 CSC(C)C(=O)NNCCO 22a_100000210001_100000149566 [0,2,0,0,0,0|0,1,0]=3 4598 B10R0.83 CSCCNC(=O)C(C)C#N 11a_100020590264_100000753662 [0,2,0,0,0,0|1,1,0]=4 4599 B10R0.83 CSCCNC(=O)C(C)C#N 1626a_100020590264_100000753662 [0,2,0,0,0,0|1,1,0]=4 4600 B10R0.83 CSCCNC(=O)C(C)C#N 240690a_100020590264_100000753662 [0,2,0,0,0,0|1,1,0]=4 4601 B10R0.83 CSCCNC(=O)C(C)C#N 527a_100020590264_100000753662 [0,2,0,0,0,0|1,1,0]=4 4602 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,2,0,0,0,0|0,2,0]=4 4603 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,2,0,0,0,0|0,2,0]=4 4604 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,2,0,0,0,0|0,2,0]=4 4605 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,2,0,0,0,0|0,2,0]=4 4606 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,2,0,0,0,0|0,1,0]=3 4607 B10R0.83 N#CCCCC(=O)C(O)CO 1458a_100011215603_100000211468 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.83 N#CCCNC(=O)C(O)CO 240690a_100000720768_100011215603 [0,2,0,0,0,0|1,0,0]=3 4609 B10R0.83 O=C(CC#CCO)C(O)CO 1458a_100011215603_200000047223 [0,2,0,0,0,0|1,0,1]=4 4610 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|2,0,0]=4 4611 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|1,0,0]=3 4612 B10R0.83 O=C(NCCCF)C(O)CO 240690a_100015189416_100011215603 [0,2,0,0,0,0|1,0,0]=3 4613 B10R0.83 O=C(NCCCO)C(O)CO 240690a_100000182051_100011215603 [0,2,0,0,0,0|0,0,0]=2 4614 B10R0.83 O=C(NNCCO)C(O)CO 22a_100000210001_100011215603 [0,2,0,0,0,0|0,0,0]=2 4615 B10R0.124 CCC(C)S(=O)(=O)NCCO 270084a_100000210304_100000685195 [0,2,0,0,0,0|2,0,0]=4 4616 B10R0.124 CCC(C)S(=O)(=O)NCCO 274078a_100000210304_100000685195 [0,2,0,0,0,0|2,0,0]=4 4617 B10R0.17 CC(C)C(NCCO)C(=O)N 34a_100016990907_100000230017 [0,2,0,0,0,0|1,0,1]=4 4618 B10R0.17 CC(C)[C@@H](NCCO)C(=O)O 269956a_100000745019_100000211926 [0,2,0,0,0,0|1,0,1]=4 4619 B10R0.17 CC(O)C(NCCF)C(=O)O 269956a_100000185852_100011217306 [0,2,0,0,0,0|1,0,1]=4 4620 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [0,2,0,0,0,0|0,0,1]=3 4621 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [0,2,0,0,0,0|1,0,1]=4 4622 B10R0.17 CCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210303 [0,2,0,0,0,0|1,0,1]=4 4623 B10R0.17 C[C@@H](O)[C@H](NCCF)C(=O)N 2230a_100000003557_100011217306 [0,2,0,0,0,0|1,0,1]=4 4624 B10R0.17 C[C@@H](O)[C@H](NCCO)C(=O)N 2230a_100000003557_100000211926 [0,2,0,0,0,0|0,0,1]=3 4625 B10R0.53 CC(CO)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100012180447 [0,2,0,0,0,0|0,0,2]=4 4626 B10R0.53 CC(CO)N[C@H](CO)[C@@H](C)O 34a_100015196842_100012180447 [0,2,0,0,0,0|0,0,2]=4 4627 B10R0.53 CC[C@H](NC(C)CO)[C@@H](C)O 2230a_100161114882_100012180447 [0,2,0,0,0,0|1,0,1]=4 4628 B10R0.53 CC[C@H](NC(C)CO)[C@@H](C)O 34a_100161114882_100012180447 [0,2,0,0,0,0|1,0,1]=4 4629 B10R0.86 CCC(=NNCCO)C(C)C 4a_100000210001_100000210600 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 2230a_100161114882_100000230001 [0,2,0,0,0,0|1,0,1]=4 4631 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 34a_100161114882_100000230001 [0,2,0,0,0,0|1,0,1]=4 4632 B10R0.86 CC[C@H](NCCOC)[C@@H](C)O 2230a_100161114882_100011201679 [0,2,0,0,0,0|1,0,1]=4 4633 B10R0.86 CC[C@H](NCCOC)[C@@H](C)O 34a_100161114882_100011201679 [0,2,0,0,0,0|1,0,1]=4 4634 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011201679 [0,2,0,0,0,0|0,0,2]=4 4635 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011201679 [0,2,0,0,0,0|0,0,2]=4 4636 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 2230a_100015196842_100000230001 [0,2,0,0,0,0|0,0,2]=4 4637 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 34a_100015196842_100000230001 [0,2,0,0,0,0|0,0,2]=4 4638 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 11a_100000764878_100000185857 [0,2,0,0,0,0|1,0,1]=4 4639 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 1626a_100000764878_100000185857 [0,2,0,0,0,0|1,0,1]=4 4640 B10R0.26 CC(=O)C(=O)CN(C)CCO 269982a_100000210263_100011261029 [0,2,0,0,0,0|0,0,2]=4 4641 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.26 CC(C)C(=O)CN(C)CCO 2230a_100000210263_100000753385 [0,2,0,0,0,0|1,0,0]=3 4643 B10R0.26 CC(C)C(=O)CN(C)CCO 269982a_100000210263_100000753385 [0,2,0,0,0,0|1,0,0]=3 4644 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 11a_100016994482_100000210198 [0,2,0,0,0,0|2,0,0]=4 4645 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210198 [0,2,0,0,0,0|2,0,0]=4 4646 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210198 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 527a_100016994482_100000210198 [0,2,0,0,0,0|2,0,0]=4 4648 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,2,0,0,0,0|1,0,0]=3 4649 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,2,0,0,0,0|1,0,0]=3 4650 B10R0.26 CC(F)C(=O)N[C@@H](C)CC#N 11a_100016994482_100000062450 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.26 CC(F)C(=O)N[C@@H](C)CC#N 1626a_100016994482_100000062450 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.26 CC(F)C(=O)N[C@@H](C)CC#N 240690a_100016994482_100000062450 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.26 CC(F)C(=O)N[C@@H](C)CC#N 527a_100016994482_100000062450 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 240690a_100000706166_100000062450 [0,2,0,0,0,0|1,0,0]=3 4655 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 527a_100000706166_100000062450 [0,2,0,0,0,0|1,0,0]=3 4656 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|2,0,0]=4 4657 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|2,0,0]=4 4658 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|2,0,0]=4 4659 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|2,0,0]=4 4660 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 4661 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 4662 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 4663 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 4664 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 4665 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 4667 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 4668 B10R0.26 CCCC(C)NC(=O)C(O)O 240690a_100000741246_100000233687 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,2,0,0,0,0|1,0,0]=3 4670 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,2,0,0,0,0|1,0,0]=3 4671 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,2,0,0,0,0|1,0,0]=3 4672 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,2,0,0,0,0|2,0,0]=4 4674 B10R0.26 CN(CCO)CC(=O)N(C)C 2230a_100000185065_100000211926 [0,2,0,0,0,0|2,0,0]=4 4675 B10R0.26 CN(CCO)CC(=O)N(C)C 2230a_100000210263_100000185267 [0,2,0,0,0,0|2,0,0]=4 4676 B10R0.26 CN(CCO)CC(=O)N(C)C 269982a_100000210263_100000185267 [0,2,0,0,0,0|2,0,0]=4 4677 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 11a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 4678 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 1626a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 4679 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 240690a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 4680 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 527a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 4681 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 11a_100000764878_100000062450 [0,2,0,0,0,0|1,0,0]=3 4682 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 1626a_100000764878_100000062450 [0,2,0,0,0,0|1,0,0]=3 4683 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 240690a_100000764878_100000062450 [0,2,0,0,0,0|1,0,0]=3 4684 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 527a_100000764878_100000062450 [0,2,0,0,0,0|1,0,0]=3 4685 B10R0.26 COC[C@@H](C)NC(=O)C(F)F 11a_100000764878_100000210393 [0,2,0,0,0,0|2,0,0]=4 4686 B10R0.26 COC[C@@H](C)NC(=O)C(F)F 1626a_100000764878_100000210393 [0,2,0,0,0,0|2,0,0]=4 4687 B10R0.26 COC[C@@H](C)NC(=O)C(F)F 240690a_100000764878_100000210393 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.26 COC[C@@H](C)NC(=O)C(F)F 527a_100000764878_100000210393 [0,2,0,0,0,0|2,0,0]=4 4689 B10R0.26 COC[C@@H](C)NC(=O)C(O)O 240690a_100000764878_100000233687 [0,2,0,0,0,0|1,0,0]=3 4690 B10R0.26 COC[C@@H](C)NC(=O)N(C)C 2708a_100000764878_100102631434 [0,2,0,0,0,0|2,0,0]=4 4691 B10R0.26 COC[C@@H](C)NC(=O)[C@@H](C)O 240690a_100000764878_100000717761 [0,2,0,0,0,0|0,0,0]=2 4692 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 1626a_100000764878_217856618621 [0,2,0,0,0,0|0,0,0]=2 4693 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 240690a_100000764878_217856618621 [0,2,0,0,0,0|0,0,0]=2 4694 B10R0.26 C[C@@H](CC#N)NC(=O)C(O)O 240690a_100016994482_100000233687 [0,2,0,0,0,0|2,0,0]=4 4695 B10R0.26 C[C@@H](CC#N)NC(=O)[C@@H](C)O 240690a_100016994482_100000717761 [0,2,0,0,0,0|1,0,0]=3 4696 B10R0.26 C[C@@H](O)C(=O)CC(=O)NCO 1458a_100000717761_100000185155 [0,2,0,0,0,0|1,0,1]=4 4697 B10R0.26 C[C@H](CCO)NC(=O)C(F)F 240690a_100000706166_100000210393 [0,2,0,0,0,0|2,0,0]=4 4698 B10R0.26 C[C@H](CCO)NC(=O)C(F)F 527a_100000706166_100000210393 [0,2,0,0,0,0|2,0,0]=4 4699 B10R0.26 C[C@H](CCO)NC(=O)C(O)O 240690a_100000706166_100000233687 [0,2,0,0,0,0|1,0,0]=3 4700 B10R0.26 C[C@H](CCO)NC(=O)[C@@H](C)O 240690a_100000706166_100000717761 [0,2,0,0,0,0|0,0,0]=2 4701 B10R0.26 C[C@H](CCO)NC(=O)[C@H](C)O 240690a_100000706166_217856618621 [0,2,0,0,0,0|0,0,0]=2 4702 B10R0.26 C[C@H](O)C(=O)CC(=O)NCO 1458a_217856618621_100000185155 [0,2,0,0,0,0|1,0,1]=4 4703 B10R0.26 C[C@H](O)C(=O)N[C@@H](C)CC#N 1626a_100016994482_217856618621 [0,2,0,0,0,0|1,0,0]=3 4704 B10R0.26 C[C@H](O)C(=O)N[C@@H](C)CC#N 240690a_100016994482_217856618621 [0,2,0,0,0,0|1,0,0]=3 4705 B10R0.47 CC(C)S(=O)(=O)N[C@H](C)CO 270084a_100000737577_100000742656 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.47 CC(C)S(=O)(=O)N[C@H](C)CO 274078a_100000737577_100000742656 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.67 C#CC(C)(C)NC(=O)[C@@H](C)O 240690a_100000054563_100000717761 [0,2,0,0,0,0|1,0,1]=4 4708 B10R0.67 C#CC(C)(C)NC(=O)[C@H](C)O 1626a_100000054563_217856618621 [0,2,0,0,0,0|1,0,1]=4 4709 B10R0.67 C#CC(C)(C)NC(=O)[C@H](C)O 240690a_100000054563_217856618621 [0,2,0,0,0,0|1,0,1]=4 4710 B10R0.67 CC(C)(CO)NC(=O)C(F)F 240690a_100000210608_100000210393 [0,2,0,0,0,0|2,0,0]=4 4711 B10R0.67 CC(C)(CO)NC(=O)C(F)F 527a_100020618417_100000210393 [0,2,0,0,0,0|2,0,0]=4 4712 B10R0.67 CC(C)(CO)NC(=O)C(O)O 240690a_100000210608_100000233687 [0,2,0,0,0,0|1,0,0]=3 4713 B10R0.67 CC(C)C(=O)NC(C)(C)CO 240690a_100000210608_100000210198 [0,2,0,0,0,0|1,0,0]=3 4714 B10R0.67 CC(C)C(=O)NC(C)(C)CO 527a_100020618417_100000210198 [0,2,0,0,0,0|1,0,0]=3 4715 B10R0.67 CC(F)C(=O)NC(C)(C)CO 240690a_100000210608_100000062450 [0,2,0,0,0,0|1,0,0]=3 4716 B10R0.67 CC(F)C(=O)NC(C)(C)CO 527a_100020618417_100000062450 [0,2,0,0,0,0|1,0,0]=3 4717 B10R0.67 CCC(C)(C)NC(=O)C(C)C 11a_100000211385_100000210198 [0,2,0,0,0,0|2,0,0]=4 4718 B10R0.67 CCC(C)(C)NC(=O)C(C)C 1626a_100000211385_100000210198 [0,2,0,0,0,0|2,0,0]=4 4719 B10R0.67 CCC(C)(C)NC(=O)C(C)C 240690a_100000211385_100000210198 [0,2,0,0,0,0|2,0,0]=4 4720 B10R0.67 CCC(C)(C)NC(=O)C(C)C 527a_100000211385_100000210198 [0,2,0,0,0,0|2,0,0]=4 4721 B10R0.67 CCC(C)(C)NC(=O)C(C)F 11a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 4722 B10R0.67 CCC(C)(C)NC(=O)C(C)F 1626a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 4723 B10R0.67 CCC(C)(C)NC(=O)C(C)F 240690a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 4724 B10R0.67 CCC(C)(C)NC(=O)C(C)F 527a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 4725 B10R0.67 CCC(C)(C)NC(=O)C(O)O 240690a_100000211385_100000233687 [0,2,0,0,0,0|2,0,0]=4 4726 B10R0.67 CCC(C)(C)NC(=O)[C@@H](C)O 240690a_100000211385_100000717761 [0,2,0,0,0,0|1,0,0]=3 4727 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 1626a_100000211385_217856618621 [0,2,0,0,0,0|1,0,0]=3 4728 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 240690a_100000211385_217856618621 [0,2,0,0,0,0|1,0,0]=3 4729 B10R0.67 CCS(=O)(=O)NC(=O)[C@@H](C)O 2740a_100000171174_100000717761 [0,2,0,0,0,0|2,0,0]=4 4730 B10R0.67 CCS(=O)(=O)NC(=O)[C@H](C)O 2740a_100000171174_217856618621 [0,2,0,0,0,0|2,0,0]=4 4731 B10R0.67 C[C@@H](O)C(=O)NC(C)(C)CO 240690a_100000210608_100000717761 [0,2,0,0,0,0|0,0,0]=2 4732 B10R0.67 C[C@H](O)C(=O)NC(C)(C)C#N 1626a_100000761509_217856618621 [0,2,0,0,0,0|1,0,1]=4 4733 B10R0.67 C[C@H](O)C(=O)NC(C)(C)CO 240690a_100000210608_217856618621 [0,2,0,0,0,0|0,0,0]=2 4734 B10R0.72 C=C[C@@H](CO)NC(=O)C(C)C 240690a_100016989147_100000210198 [0,2,0,0,0,0|1,0,0]=3 4735 B10R0.72 C=C[C@@H](CO)NC(=O)C(C)C 527a_100016989147_100000210198 [0,2,0,0,0,0|1,0,0]=3 4736 B10R0.72 C=C[C@@H](CO)NC(=O)C(C)F 240690a_100016989147_100000062450 [0,2,0,0,0,0|1,0,0]=3 4737 B10R0.72 C=C[C@@H](CO)NC(=O)C(C)F 527a_100016989147_100000062450 [0,2,0,0,0,0|1,0,0]=3 4738 B10R0.72 C=C[C@@H](CO)NC(=O)C(F)F 240690a_100016989147_100000210393 [0,2,0,0,0,0|2,0,0]=4 4739 B10R0.72 C=C[C@@H](CO)NC(=O)C(F)F 527a_100016989147_100000210393 [0,2,0,0,0,0|2,0,0]=4 4740 B10R0.72 C=C[C@@H](CO)NC(=O)C(O)O 240690a_100016989147_100000233687 [0,2,0,0,0,0|1,0,0]=3 4741 B10R0.72 C=C[C@@H](CO)NC(=O)[C@@H](C)O 240690a_100016989147_100000717761 [0,2,0,0,0,0|0,0,0]=2 4742 B10R0.72 C=C[C@@H](CO)NC(=O)[C@H](C)O 240690a_100016989147_217856618621 [0,2,0,0,0,0|0,0,0]=2 4743 B10R0.72 CC(C)C(=O)NC(CO)CO 240690a_100000759517_100000210198 [0,2,0,0,0,0|1,0,0]=3 4744 B10R0.72 CC(C)C(=O)NC(CO)CO 527a_100000759517_100000210198 [0,2,0,0,0,0|1,0,0]=3 4745 B10R0.72 CC(F)C(=O)NC(CO)CO 240690a_100000759517_100000062450 [0,2,0,0,0,0|1,0,0]=3 4746 B10R0.72 CC(F)C(=O)NC(CO)CO 527a_100000759517_100000062450 [0,2,0,0,0,0|1,0,0]=3 4747 B10R0.72 CCC(CC)CC(=O)[C@@H](C)O 1458a_100000717761_100011215472 [0,2,0,0,0,0|2,0,0]=4 4748 B10R0.72 CCC(CC)CC(=O)[C@H](C)O 1458a_217856618621_100011215472 [0,2,0,0,0,0|2,0,0]=4 4749 B10R0.72 CCC(CC)NC(=O)C(C)C 11a_100000199018_100000210198 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.72 CCC(CC)NC(=O)C(C)C 1626a_100000199018_100000210198 [0,2,0,0,0,0|2,0,0]=4 4751 B10R0.72 CCC(CC)NC(=O)C(C)C 240690a_100000199018_100000210198 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.72 CCC(CC)NC(=O)C(C)C 527a_100000199018_100000210198 [0,2,0,0,0,0|2,0,0]=4 4753 B10R0.72 CCC(CC)NC(=O)C(C)F 11a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.72 CCC(CC)NC(=O)C(C)F 1626a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 4755 B10R0.72 CCC(CC)NC(=O)C(C)F 240690a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 4756 B10R0.72 CCC(CC)NC(=O)C(C)F 527a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 4757 B10R0.72 CCC(CC)NC(=O)C(O)O 240690a_100000199018_100000233687 [0,2,0,0,0,0|2,0,0]=4 4758 B10R0.72 CCC(CC)NC(=O)[C@@H](C)O 240690a_100000199018_100000717761 [0,2,0,0,0,0|1,0,0]=3 4759 B10R0.72 CCC(CC)NC(=O)[C@H](C)O 1626a_100000199018_217856618621 [0,2,0,0,0,0|1,0,0]=3 4760 B10R0.72 CCC(CC)NC(=O)[C@H](C)O 240690a_100000199018_217856618621 [0,2,0,0,0,0|1,0,0]=3 4761 B10R0.72 CC[C@@H](CO)NC(=O)C(C)C 240690a_100000709445_100000210198 [0,2,0,0,0,0|1,0,0]=3 4762 B10R0.72 CC[C@@H](CO)NC(=O)C(C)C 527a_100000709445_100000210198 [0,2,0,0,0,0|1,0,0]=3 4763 B10R0.72 CC[C@@H](CO)NC(=O)C(C)F 240690a_100000709445_100000062450 [0,2,0,0,0,0|1,0,0]=3 4764 B10R0.72 CC[C@@H](CO)NC(=O)C(C)F 527a_100000709445_100000062450 [0,2,0,0,0,0|1,0,0]=3 4765 B10R0.72 CC[C@@H](CO)NC(=O)C(F)F 240690a_100000709445_100000210393 [0,2,0,0,0,0|2,0,0]=4 4766 B10R0.72 CC[C@@H](CO)NC(=O)C(F)F 527a_100000709445_100000210393 [0,2,0,0,0,0|2,0,0]=4 4767 B10R0.72 CC[C@@H](CO)NC(=O)C(O)O 240690a_100000709445_100000233687 [0,2,0,0,0,0|1,0,0]=3 4768 B10R0.72 CC[C@@H](CO)NC(=O)[C@@H](C)O 240690a_100000709445_100000717761 [0,2,0,0,0,0|0,0,0]=2 4769 B10R0.72 CC[C@@H](CO)NC(=O)[C@H](C)O 240690a_100000709445_217856618621 [0,2,0,0,0,0|0,0,0]=2 4770 B10R0.72 C[C@@H](O)C(=O)NC(CO)CO 240690a_100000759517_100000717761 [0,2,0,0,0,0|0,0,0]=2 4771 B10R0.72 C[C@H](O)C(=O)NC(C#N)C#N 1626a_200000072138_217856618621 [0,2,0,0,0,0|1,0,1]=4 4772 B10R0.72 C[C@H](O)C(=O)NC(CO)CO 240690a_100000759517_217856618621 [0,2,0,0,0,0|0,0,0]=2 4773 B10R0.72 O=C(NC(CO)CO)C(F)F 240690a_100000759517_100000210393 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.72 O=C(NC(CO)CO)C(F)F 527a_100000759517_100000210393 [0,2,0,0,0,0|2,0,0]=4 4775 B10R0.72 O=C(NC(CO)CO)C(O)O 240690a_100000759517_100000233687 [0,2,0,0,0,0|1,0,0]=3 4776 B10R0.42 CC(C)S(=O)(=O)NCCCO 270084a_100000182051_100000742656 [0,2,0,0,0,0|2,0,0]=4 4777 B10R0.42 CC(C)S(=O)(=O)NCCCO 274078a_100000182051_100000742656 [0,2,0,0,0,0|2,0,0]=4 4778 B10R0.42 COCCNS(=O)(=O)C(C)C 270084a_100000209980_100000742656 [0,2,0,0,0,0|2,0,0]=4 4779 B10R0.42 COCCNS(=O)(=O)C(C)C 274078a_100000209980_100000742656 [0,2,0,0,0,0|2,0,0]=4 4780 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|2,0,0]=4 4781 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|2,0,0]=4 4782 B10R0.75 C#CCCCNC(=O)C(C)C 11a_100000718082_100000210198 [0,2,0,0,0,0|2,0,0]=4 4783 B10R0.75 C#CCCCNC(=O)C(C)C 1626a_100000718082_100000210198 [0,2,0,0,0,0|2,0,0]=4 4784 B10R0.75 C#CCCCNC(=O)C(C)C 240690a_100000718082_100000210198 [0,2,0,0,0,0|2,0,0]=4 4785 B10R0.75 C#CCCCNC(=O)C(C)C 527a_100000718082_100000210198 [0,2,0,0,0,0|2,0,0]=4 4786 B10R0.75 C#CCCCNC(=O)C(C)F 11a_100000718082_100000062450 [0,2,0,0,0,0|2,0,0]=4 4787 B10R0.75 C#CCCCNC(=O)C(C)F 1626a_100000718082_100000062450 [0,2,0,0,0,0|2,0,0]=4 4788 B10R0.75 C#CCCCNC(=O)C(C)F 240690a_100000718082_100000062450 [0,2,0,0,0,0|2,0,0]=4 4789 B10R0.75 C#CCCCNC(=O)C(C)F 527a_100000718082_100000062450 [0,2,0,0,0,0|2,0,0]=4 4790 B10R0.75 C#CCCCNC(=O)C(O)O 240690a_100000718082_100000233687 [0,2,0,0,0,0|2,0,0]=4 4791 B10R0.75 C#CCCCNC(=O)[C@@H](C)O 240690a_100000718082_100000717761 [0,2,0,0,0,0|1,0,0]=3 4792 B10R0.75 C#CCCCNC(=O)[C@H](C)O 1626a_100000718082_217856618621 [0,2,0,0,0,0|1,0,0]=3 4793 B10R0.75 C#CCCCNC(=O)[C@H](C)O 240690a_100000718082_217856618621 [0,2,0,0,0,0|1,0,0]=3 4794 B10R0.75 C#CCCNCC(=O)C(C)C 34a_100000755551_100000753385 [0,2,0,0,0,0|2,0,0]=4 4795 B10R0.75 C#CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100010402529 [0,2,0,0,0,0|2,0,0]=4 4796 B10R0.75 C#CCOCCC(=O)[C@H](C)O 1458a_217856618621_100010402529 [0,2,0,0,0,0|2,0,0]=4 4797 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|1,0,1]=4 4798 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|1,0,1]=4 4799 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|1,0,1]=4 4800 B10R0.75 C=C(C)C(=O)NNCCOC 22a_100000741390_100000185857 [0,2,0,0,0,0|1,0,1]=4 4801 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|2,0,0]=4 4802 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|2,0,0]=4 4803 B10R0.75 C=CCCCNC(=O)C(C)C 11a_100000700776_100000210198 [0,2,0,0,0,0|2,0,0]=4 4804 B10R0.75 C=CCCCNC(=O)C(C)C 1626a_100000700776_100000210198 [0,2,0,0,0,0|2,0,0]=4 4805 B10R0.75 C=CCCCNC(=O)C(C)C 240690a_100000700776_100000210198 [0,2,0,0,0,0|2,0,0]=4 4806 B10R0.75 C=CCCCNC(=O)C(C)C 527a_100000700776_100000210198 [0,2,0,0,0,0|2,0,0]=4 4807 B10R0.75 C=CCCCNC(=O)C(C)F 11a_100000700776_100000062450 [0,2,0,0,0,0|2,0,0]=4 4808 B10R0.75 C=CCCCNC(=O)C(C)F 1626a_100000700776_100000062450 [0,2,0,0,0,0|2,0,0]=4 4809 B10R0.75 C=CCCCNC(=O)C(C)F 240690a_100000700776_100000062450 [0,2,0,0,0,0|2,0,0]=4 4810 B10R0.75 C=CCCCNC(=O)C(C)F 527a_100000700776_100000062450 [0,2,0,0,0,0|2,0,0]=4 4811 B10R0.75 C=CCCCNC(=O)C(O)O 240690a_100000700776_100000233687 [0,2,0,0,0,0|2,0,0]=4 4812 B10R0.75 C=CCCCNC(=O)[C@@H](C)O 240690a_100000700776_100000717761 [0,2,0,0,0,0|1,0,0]=3 4813 B10R0.75 C=CCCCNC(=O)[C@H](C)O 1626a_100000700776_217856618621 [0,2,0,0,0,0|1,0,0]=3 4814 B10R0.75 C=CCCCNC(=O)[C@H](C)O 240690a_100000700776_217856618621 [0,2,0,0,0,0|1,0,0]=3 4815 B10R0.75 C=CCCNCC(=O)C(C)C 2230a_100015191253_100000753385 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.75 CC(=NNCCC#N)C(C)O 4a_100000229987_100000212229 [0,2,0,0,0,0|2,0,0]=4 4817 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|2,0,0]=4 4818 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|2,0,0]=4 4819 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,2,0,0,0,0|2,0,0]=4 4821 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,2,0,0,0,0|2,0,0]=4 4822 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,2,0,0,0,0|2,0,0]=4 4823 B10R0.75 CC(C)C(=O)COCCON 34a_100000700252_100000753385 [0,2,0,0,0,0|2,0,0]=4 4824 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,2,0,0,0,0|2,0,0]=4 4825 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,2,0,0,0,0|2,0,0]=4 4826 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,2,0,0,0,0|1,0,0]=3 4827 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,2,0,0,0,0|1,0,0]=3 4828 B10R0.75 CC(C)C(=O)NCCNCF 34a_100000752568_100015361967 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.75 CC(C)C(=O)NNCCC#N 22a_100000229987_100000210198 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000139345_100000211926 [0,2,0,0,0,0|2,0,0]=4 4831 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000211926_100000139345 [0,2,0,0,0,0|2,0,0]=4 4832 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,2,0,0,0,0|1,0,0]=3 4835 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,2,0,0,0,0|1,0,0]=3 4836 B10R0.75 CC(F)C(=O)NNCCC#N 22a_100000229987_100000062450 [0,2,0,0,0,0|2,0,0]=4 4837 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|2,0,0]=4 4838 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.75 CCCC=NNC(=O)C(C)C 4a_100000184118_100000185831 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|2,0,0]=4 4841 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|2,0,0]=4 4842 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4843 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4850 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|2,0,0]=4 4851 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,0]=3 4852 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 4853 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 4854 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,2,0,0,0,0|2,0,0]=4 4858 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,2,0,0,0,0|2,0,0]=4 4859 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|1,0,0]=3 4861 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|1,0,0]=3 4862 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|2,0,0]=4 4863 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|2,0,0]=4 4864 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|2,0,0]=4 4865 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|2,0,0]=4 4866 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,2,0,0,0,0|2,0,0]=4 4867 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,2,0,0,0,0|2,0,0]=4 4868 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|2,0,0]=4 4870 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,0,0]=3 4872 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,0,0]=3 4873 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,2,0,0,0,0|1,0,0]=3 4874 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,2,0,0,0,0|1,0,0]=3 4875 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,2,0,0,0,0|1,0,0]=3 4876 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,2,0,0,0,0|1,0,0]=3 4877 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 4878 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,2,0,0,0,0|1,0,0]=3 4879 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 4880 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 4881 B10R0.75 CCOCCNC(=O)C(F)F 11a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 4882 B10R0.75 CCOCCNC(=O)C(F)F 1626a_102516460346_100000210393 [0,2,0,0,0,0|2,0,0]=4 4883 B10R0.75 CCOCCNC(=O)C(F)F 240690a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 4884 B10R0.75 CCOCCNC(=O)C(F)F 527a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 4885 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,2,0,0,0,0|1,0,0]=3 4886 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|0,0,0]=2 4888 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|0,0,0]=2 4889 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|0,0,0]=2 4890 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,2,0,0,0,0|1,1,0]=4 4891 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,2,0,0,0,0|1,1,0]=4 4892 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,2,0,0,0,0|1,1,0]=4 4893 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,2,0,0,0,0|1,1,0]=4 4894 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,2,0,0,0,0|1,1,0]=4 4895 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,2,0,0,0,0|1,1,0]=4 4896 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,2,0,0,0,0|1,1,0]=4 4897 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,2,0,0,0,0|1,1,0]=4 4898 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,2,0,0,0,0|1,1,0]=4 4899 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|0,1,0]=3 4900 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|0,1,0]=3 4901 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|0,1,0]=3 4902 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [0,2,0,0,0,0|2,0,0]=4 4903 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [0,2,0,0,0,0|2,0,0]=4 4904 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,0,0]=3 4910 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,0,0]=3 4911 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|1,0,0]=3 4912 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|1,0,0]=3 4913 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 4915 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 4916 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 4917 B10R0.75 COCCCNC(=O)C(F)F 1626a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.75 COCCCNC(=O)C(F)F 240690a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.75 COCCCNC(=O)C(F)F 527a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,2,0,0,0,0|1,0,0]=3 4921 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|2,0,0]=4 4922 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|0,0,0]=2 4923 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|0,0,0]=2 4924 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|0,0,0]=2 4925 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,2,0,0,0,0|1,0,0]=3 4926 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,2,0,0,0,0|2,0,0]=4 4927 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,2,0,0,0,0|2,0,0]=4 4928 B10R0.75 COCCNNC(=O)C(C)C 22a_100000741390_100000210198 [0,2,0,0,0,0|1,0,0]=3 4929 B10R0.75 COCCNNC(=O)C(C)F 22a_100000741390_100000062450 [0,2,0,0,0,0|1,0,0]=3 4930 B10R0.75 COCCNNC(=O)C(F)F 22a_100000741390_100000210393 [0,2,0,0,0,0|2,0,0]=4 4931 B10R0.75 COCCNNC(=O)C(O)O 22a_100000741390_100000233687 [0,2,0,0,0,0|1,0,0]=3 4932 B10R0.75 COCCNNC(=O)[C@@H](C)O 22a_100000741390_100000717761 [0,2,0,0,0,0|0,0,0]=2 4933 B10R0.75 COCCNNC(=O)[C@H](C)O 22a_100000741390_217856618621 [0,2,0,0,0,0|0,0,0]=2 4934 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|2,0,0]=4 4935 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|2,0,0]=4 4936 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,2,0,0,0,0|2,0,0]=4 4937 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,2,0,0,0,0|2,0,0]=4 4938 B10R0.75 COCSCOC(=O)C(C)C 62a_100000139345_100000766300 [0,2,0,0,0,0|2,0,0]=4 4939 B10R0.75 COCSCOC(=O)C(C)C 62a_100000766300_100000139345 [0,2,0,0,0,0|2,0,0]=4 4940 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|1,1,0]=4 4941 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|1,1,0]=4 4942 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|1,1,0]=4 4943 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|1,1,0]=4 4944 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|1,1,0]=4 4945 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|1,1,0]=4 4946 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|1,1,0]=4 4947 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|1,1,0]=4 4948 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|1,1,0]=4 4949 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|0,1,0]=3 4950 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|0,1,0]=3 4951 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|0,1,0]=3 4952 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|1,1,0]=4 4953 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|1,0,0]=3 4956 B10R0.75 C[C@@H](O)C(=O)CCOCC#N 1458a_100000717761_200000047693 [0,2,0,0,0,0|2,0,0]=4 4957 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|1,0,0]=3 4958 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|0,0,0]=2 4959 B10R0.75 C[C@@H](O)C(=O)NNCCC#N 22a_100000229987_100000717761 [0,2,0,0,0,0|1,0,0]=3 4960 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|1,0,0]=3 4963 B10R0.75 C[C@H](O)C(=O)CCOCC#N 1458a_217856618621_200000047693 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|1,0,0]=3 4965 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|0,0,0]=2 4966 B10R0.75 C[C@H](O)C(=O)NNCCC#N 22a_100000229987_217856618621 [0,2,0,0,0,0|1,0,0]=3 4967 B10R0.75 N#CCCNNC(=O)C(O)O 22a_100000229987_100000233687 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.75 O=C(NCCCCO)C(F)F 240690a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.75 O=C(NCCCCO)C(F)F 527a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,2,0,0,0,0|1,0,0]=3 4973 B10R0.98 C=C(C)C(=O)NNCC(C)O 22a_200000730056_100000185857 [0,2,0,0,0,0|1,0,1]=4 4974 B10R0.98 C=C(C)CNNC(=O)[C@@H](C)O 22a_100000729518_100000717761 [0,2,0,0,0,0|1,0,1]=4 4975 B10R0.98 C=C(C)CNNC(=O)[C@H](C)O 22a_100000729518_217856618621 [0,2,0,0,0,0|1,0,1]=4 4976 B10R0.98 CC(=CCNC(=O)[C@H](C)O)C 1626a_100000718196_217856618621 [0,2,0,0,0,0|1,0,1]=4 4977 B10R0.98 CC(=NNCC(C)O)C(C)C 4a_200000730056_100000211110 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.98 CC(=NNCC(C)O)C(C)O 4a_200000730056_100000212229 [0,2,0,0,0,0|1,0,0]=3 4979 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|0,0,2]=4 4980 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|1,0,1]=4 4981 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|1,0,1]=4 4982 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,2,0,0,0,0|1,0,1]=4 4983 B10R0.98 CC(C)C(=O)CNCC(F)F 34a_100000765723_100000753385 [0,2,0,0,0,0|2,0,0]=4 4984 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,2,0,0,0,0|2,0,0]=4 4985 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.98 CC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210198 [0,2,0,0,0,0|1,0,1]=4 4987 B10R0.98 CC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210198 [0,2,0,0,0,0|1,0,1]=4 4988 B10R0.98 CC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210198 [0,2,0,0,0,0|1,0,1]=4 4989 B10R0.98 CC(C)C(=O)NCCN(C)C 240690a_100000210585_100000210198 [0,2,0,0,0,0|2,0,0]=4 4990 B10R0.98 CC(C)C(=O)NCCN(C)C 527a_100000210585_100000210198 [0,2,0,0,0,0|2,0,0]=4 4991 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|2,0,0]=4 4992 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 5001 B10R0.98 CC(C)CCNC(=O)C(O)O 240690a_100000210545_100000233687 [0,2,0,0,0,0|2,0,0]=4 5002 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,2,0,0,0,0|1,0,0]=3 5003 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,2,0,0,0,0|1,0,0]=3 5004 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,2,0,0,0,0|1,0,0]=3 5005 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,2,0,0,0,0|2,0,0]=4 5006 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,2,0,0,0,0|2,0,0]=4 5007 B10R0.98 CC(C)CNNC(=O)C(C)C 22a_100000696102_100000210198 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.98 CC(C)CNNC(=O)C(C)F 22a_100000696102_100000062450 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.98 CC(C)CNNC(=O)C(O)O 22a_100000696102_100000233687 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.98 CC(C)CNNC(=O)[C@@H](C)O 22a_100000696102_100000717761 [0,2,0,0,0,0|1,0,0]=3 5011 B10R0.98 CC(C)CNNC(=O)[C@H](C)O 22a_100000696102_217856618621 [0,2,0,0,0,0|1,0,0]=3 5012 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,2,0,0,0,0|2,0,0]=4 5014 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,2,0,0,0,0|2,0,0]=4 5015 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.98 CC(F)C(=O)NCCC(=O)N 11a_100000740010_100000062450 [0,2,0,0,0,0|1,0,1]=4 5017 B10R0.98 CC(F)C(=O)NCCC(=O)N 240690a_100000740010_100000062450 [0,2,0,0,0,0|1,0,1]=4 5018 B10R0.98 CC(F)C(=O)NCCC(=O)N 527a_100000740010_100000062450 [0,2,0,0,0,0|1,0,1]=4 5019 B10R0.98 CC(F)C(=O)NCCN(C)C 240690a_100000210585_100000062450 [0,2,0,0,0,0|2,0,0]=4 5020 B10R0.98 CC(F)C(=O)NCCN(C)C 527a_100000210585_100000062450 [0,2,0,0,0,0|2,0,0]=4 5021 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|2,0,0]=4 5022 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|2,0,0]=4 5023 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,2,0,0,0,0|2,0,0]=4 5024 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|1,0,0]=3 5025 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|1,0,0]=3 5026 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,2,0,0,0,0|1,0,0]=3 5027 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,2,0,0,0,0|1,0,0]=3 5028 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,2,0,0,0,0|1,0,0]=3 5029 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,2,0,0,0,0|1,0,0]=3 5030 B10R0.98 CC(O)CCNC(=O)C(F)F 240690a_200000755665_100000210393 [0,2,0,0,0,0|2,0,0]=4 5031 B10R0.98 CC(O)CCNC(=O)C(F)F 527a_200000755665_100000210393 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.98 CC(O)CCNC(=O)C(O)O 240690a_200000755665_100000233687 [0,2,0,0,0,0|1,0,0]=3 5033 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,2,0,0,0,0|0,0,0]=2 5034 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,2,0,0,0,0|0,0,0]=2 5035 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,2,0,0,0,0|1,0,0]=3 5036 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|1,0,0]=3 5037 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100000210904_100000185267 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100015183351_100011218427 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.98 CC(O)CNCC(=O)N(C)C 34a_100000210904_100000692301 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.98 CC(O)CNNC(=O)C(C)C 22a_200000730056_100000210198 [0,2,0,0,0,0|1,0,0]=3 5041 B10R0.98 CC(O)CNNC(=O)C(C)F 22a_200000730056_100000062450 [0,2,0,0,0,0|1,0,0]=3 5042 B10R0.98 CC(O)CNNC(=O)C(F)F 22a_200000730056_100000210393 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.98 CC(O)CNNC(=O)C(O)O 22a_200000730056_100000233687 [0,2,0,0,0,0|1,0,0]=3 5044 B10R0.98 CC(O)CNNC(=O)[C@@H](C)O 22a_200000730056_100000717761 [0,2,0,0,0,0|0,0,0]=2 5045 B10R0.98 CC(O)CNNC(=O)[C@H](C)O 22a_200000730056_217856618621 [0,2,0,0,0,0|0,0,0]=2 5046 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,2,0,0,0,0|2,0,0]=4 5047 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,2,0,0,0,0|2,0,0]=4 5048 B10R0.98 CN(C)CCNC(=O)C(O)O 240690a_100000210585_100000233687 [0,2,0,0,0,0|2,0,0]=4 5049 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,2,0,0,0,0|1,0,1]=4 5050 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|2,0,0]=4 5051 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000717761 [0,2,0,0,0,0|0,0,1]=3 5052 B10R0.98 C[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000717761 [0,2,0,0,0,0|1,0,0]=3 5053 B10R0.98 C[C@@H](O)CNCC(=O)N(C)C 2230a_100015183351_100009817552 [0,2,0,0,0,0|2,0,0]=4 5054 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,2,0,0,0,0|1,0,1]=4 5055 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|2,0,0]=4 5056 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_217856618621 [0,2,0,0,0,0|0,0,1]=3 5057 B10R0.98 C[C@H](O)C(=O)NCCN(C)C 240690a_100000210585_217856618621 [0,2,0,0,0,0|1,0,0]=3 5058 B10R0.98 NC(=O)CCNC(=O)C(O)O 240690a_100000740010_100000233687 [0,2,0,0,0,0|1,0,1]=4 5059 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 5060 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|1,0,1]=4 5061 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 5062 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|1,0,1]=4 5063 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [1,0,0,1,0,0|1,0,1]=4 5064 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [1,0,0,1,0,0|1,0,1]=4 5065 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 5066 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 5067 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|2,0,0]=4 5068 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|2,0,0]=4 5069 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,0]=3 5070 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 5071 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 5072 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 5073 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [1,0,0,1,0,0|2,0,0]=4 5074 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 5075 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 5076 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 5077 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 5078 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 5079 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [1,0,0,1,0,0|2,0,0]=4 5080 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|2,0,0]=4 5081 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [1,0,0,1,0,0|1,0,0]=3 5082 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [1,0,0,1,0,0|1,0,0]=3 5083 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|2,0,0]=4 5084 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|2,0,0]=4 5085 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,0]=3 5086 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,1,0]=4 5087 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,0]=3 5088 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 5089 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 5090 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 5091 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 5092 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 5093 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 5094 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 5095 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 5096 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|2,0,0]=4 5097 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|1,0,0]=3 5098 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|1,1,0]=4 5099 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|1,0,0]=3 5100 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [1,0,0,1,0,0|1,0,0]=3 5101 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [1,0,0,1,0,0|1,0,0]=3 5102 B8R1.41 CC1(CC1)NCCO 2230a_100000757604_100000211926 [1,0,0,1,0,0|1,0,1]=4 5103 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|2,0,0]=4 5104 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|2,0,0]=4 5105 B8R1.6 CC1CN(C1)CCO 2230a_100000702820_100000211926 [1,0,0,1,0,0|1,0,1]=4 5106 B8R1.6 CC1CN(C1)CCO 269982a_100000702820_100000211926 [1,0,0,1,0,0|1,0,1]=4 5107 B8R1.6 CC1CN(C1)CCO 34a_100000702820_100000211926 [1,0,0,1,0,0|1,0,1]=4 5108 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [1,0,0,1,0,0|1,0,1]=4 5109 B8R1.6 OC1CN(C1)CCF 269982a_100000749847_100011217306 [1,0,0,1,0,0|1,0,1]=4 5110 B8R1.6 OCCN1CC(C1)F 2230a_100000690557_100000211926 [1,0,0,1,0,0|1,0,1]=4 5111 B8R1.6 OCCN1CC(C1)F 269982a_100000690557_100000211926 [1,0,0,1,0,0|1,0,1]=4 5112 B8R1.6 OCCN1CC(C1)F 34a_100000690557_100000211926 [1,0,0,1,0,0|1,0,1]=4 5113 B8R1.6 OCCN1CC(C1)O 269982a_100000749847_100000211926 [1,0,0,1,0,0|0,0,1]=3 5114 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [1,0,0,1,0,0|1,0,1]=4 5115 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [1,0,0,1,0,0|1,0,1]=4 5116 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [1,0,0,1,0,0|1,0,1]=4 5117 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [1,0,0,1,0,0|1,0,1]=4 5118 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [1,0,0,1,0,0|1,0,1]=4 5119 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [1,0,0,1,0,0|1,0,1]=4 5120 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 5121 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|1,0,1]=4 5122 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|1,0,1]=4 5123 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 5124 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|1,0,1]=4 5125 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [1,0,0,1,0,0|0,0,1]=3 5126 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [1,0,0,1,0,0|0,0,1]=3 5127 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [1,0,0,1,0,0|1,0,1]=4 5128 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [1,0,0,1,0,0|1,0,1]=4 5129 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [1,0,0,1,0,0|1,0,1]=4 5130 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [1,0,0,1,0,0|1,0,1]=4 5131 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [1,0,0,1,0,0|1,0,1]=4 5132 B8R1.37 C#CCC(=O)C1CO1 1458a_100000701028_100000184674 [1,0,0,1,0,0|1,0,1]=4 5133 B8R1.37 C=CCC(=O)C1CO1 1458a_100000701028_100000210623 [1,0,0,1,0,0|1,0,1]=4 5134 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|2,0,0]=4 5135 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,0]=3 5136 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 5137 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 5138 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 5139 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|0,0,0]=2 5140 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|0,0,0]=2 5141 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|0,0,0]=2 5142 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [1,0,0,1,0,0|1,0,1]=4 5143 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 5144 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [1,0,0,1,0,0|1,0,0]=3 5145 B8R1.37 N#CCC(=O)C1CO1 1458a_100000701028_100011214920 [1,0,0,1,0,0|1,0,1]=4 5146 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|2,0,0]=4 5147 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [1,0,0,1,0,0|1,0,0]=3 5148 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|1,0,0]=3 5149 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [1,0,0,1,0,0|0,0,0]=2 5150 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [1,0,0,1,0,0|2,0,0]=4 5151 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [1,0,0,1,0,0|1,0,0]=3 5152 B8R1.54 CN(C)C(=O)C1CO1 11a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 5153 B8R1.54 CN(C)C(=O)C1CO1 1626a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 5154 B8R1.54 CN(C)C(=O)C1CO1 240690a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 5155 B8R1.54 CN(C)C(=O)C1CO1 527a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 5156 B10R1.16 Cc1nc(no1)NCCO 27a_100000210304_100012003639 [0,0,0,1,0,1|1,0,1]=4 5157 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [0,0,0,1,0,1|1,0,1]=4 5158 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [0,0,0,1,0,1|1,0,1]=4 5159 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,0,0,1,0,1|2,0,0]=4 5160 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,0,0,1,0,1|2,0,0]=4 5161 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,0,0,1,0,1|2,0,0]=4 5162 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,0,0,1,0,1|2,0,0]=4 5163 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [0,0,0,1,0,1|2,0,0]=4 5164 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [0,0,0,1,0,1|2,0,0]=4 5165 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [0,0,0,1,0,1|2,0,0]=4 5166 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [0,0,0,1,0,1|2,0,0]=4 5167 B10R1.180 CCCNC(=O)NC1CC1 2708a_100000212008_100020643023 [0,0,0,1,0,1|2,0,0]=4 5168 B10R1.180 CCCNC(=O)NC1CC1 2708a_100020643023_100000212008 [0,0,0,1,0,1|2,0,0]=4 5169 B10R1.180 CCCNC(=O)NC1CC1 273464a_100000212008_100020643023 [0,0,0,1,0,1|2,0,0]=4 5170 B10R1.180 CCCNC(=O)NC1CC1 273464a_100020643023_100000212008 [0,0,0,1,0,1|2,0,0]=4 5171 B10R1.180 CCCNC(=O)NC1CC1 512a_100000212008_100020643023 [0,0,0,1,0,1|2,0,0]=4 5172 B10R1.180 O=C(C#CCO)CC1CO1 1458a_100000049017_100011216344 [0,0,0,1,0,1|1,0,1]=4 5173 B10R1.180 O=C(C#CCO)C[C@@H]1CO1 1458a_100000049017_100000745022 [0,0,0,1,0,1|1,0,1]=4 5174 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 5175 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 5176 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 5177 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 5178 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,0,0,1,0,1|1,0,0]=3 5179 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,0,0,1,0,1|1,0,0]=3 5180 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,0,0,1,0,1|2,0,0]=4 5181 B10R1.180 O=C(NCCF)NC1CC1 2708a_100000212008_100000724931 [0,0,0,1,0,1|2,0,0]=4 5182 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000212008_100000724931 [0,0,0,1,0,1|2,0,0]=4 5183 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000724931_100000212008 [0,0,0,1,0,1|2,0,0]=4 5184 B10R1.180 O=C(NCCF)NC1CC1 512a_100000212008_100000724931 [0,0,0,1,0,1|2,0,0]=4 5185 B10R1.180 O=C(NCCO)NC1CC1 2708a_100000212008_100000210304 [0,0,0,1,0,1|1,0,0]=3 5186 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000210304_100000212008 [0,0,0,1,0,1|1,0,0]=3 5187 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000212008_100000210304 [0,0,0,1,0,1|1,0,0]=3 5188 B10R1.180 O=C(NCCO)NC1CC1 512a_100000212008_100000210304 [0,0,0,1,0,1|1,0,0]=3 5189 B10R1.218 C[C@@]1(C[C@H](C1)NCCO)O 2230a_100121572536_100000211926 [0,0,0,1,0,1|1,0,1]=4 5190 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,0,0,1,0,1|2,0,0]=4 5191 B10R1.266 CC(C)CC(=O)N1CCC1 11a_100000754969_100000210554 [0,0,0,1,0,1|2,0,0]=4 5192 B10R1.266 CC(C)CC(=O)N1CCC1 240690a_100000754969_100000210554 [0,0,0,1,0,1|2,0,0]=4 5193 B10R1.266 CC(C)CC(=O)N1CCC1 527a_100000754969_100000210554 [0,0,0,1,0,1|2,0,0]=4 5194 B10R1.266 CC(C)NC(=O)C1CCO1 11a_100138425928_100000089072 [0,0,0,1,0,1|2,0,0]=4 5195 B10R1.266 CC(C)NC(=O)C1CCO1 1626a_100138425928_100000089072 [0,0,0,1,0,1|2,0,0]=4 5196 B10R1.266 CC(C)NC(=O)C1CCO1 240690a_100138425928_100000089072 [0,0,0,1,0,1|2,0,0]=4 5197 B10R1.266 CC(C)NC(=O)C1CCO1 527a_100138425928_100000089072 [0,0,0,1,0,1|2,0,0]=4 5198 B10R1.266 CC(C)NC(=O)N1CCC1 2708a_100138425928_100000754969 [0,0,0,1,0,1|2,0,0]=4 5199 B10R1.266 CC(C)NC(=O)N1CCC1 273464a_100138425928_100000754969 [0,0,0,1,0,1|2,0,0]=4 5200 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,0,0,1,0,1|2,0,0]=4 5201 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,0,0,1,0,1|1,0,0]=3 5202 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,0,0,1,0,1|2,0,0]=4 5203 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [0,0,0,1,0,1|1,0,0]=3 5204 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,0,0,1,0,1|2,0,0]=4 5205 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,0,0,1,0,1|2,0,0]=4 5206 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [0,0,0,1,0,1|2,0,0]=4 5207 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [0,0,0,1,0,1|2,0,0]=4 5208 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [0,0,0,1,0,1|2,0,0]=4 5209 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100000212008_100138425928 [0,0,0,1,0,1|2,0,0]=4 5210 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100138425928_100000212008 [0,0,0,1,0,1|2,0,0]=4 5211 B10R1.268 CC(C)NC(=O)NC1CC1 273464a_100138425928_100000212008 [0,0,0,1,0,1|2,0,0]=4 5212 B10R1.268 CC(C)NC(=O)NC1CC1 512a_100000212008_100138425928 [0,0,0,1,0,1|2,0,0]=4 5213 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,0,0,1,0,1|2,0,0]=4 5214 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,0,0,1,0,1|2,0,0]=4 5215 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,0,0,1,0,1|1,0,0]=3 5216 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,0,0,1,0,1|1,1,0]=4 5217 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,0,0,1,0,1|1,0,0]=3 5218 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [0,0,0,1,0,1|1,0,0]=3 5219 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,0,0,1,0,1|2,0,0]=4 5220 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,0,0,1,0,1|2,0,0]=4 5221 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,0,0,1,0,1|2,0,0]=4 5222 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,0,0,1,0,1|2,0,0]=4 5223 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,0,0,1,0,1|1,0,0]=3 5224 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,0,0,1,0,1|2,0,0]=4 5225 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,0,0,1,0,1|2,0,0]=4 5226 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,0,0,1,0,1|2,0,0]=4 5227 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [0,0,0,1,0,1|2,0,0]=4 5228 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [0,0,0,1,0,1|2,0,0]=4 5229 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [0,0,0,1,0,1|2,0,0]=4 5230 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [0,0,0,1,0,1|2,0,0]=4 5231 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 11a_100000724931_100015396687 [0,0,0,1,0,1|2,0,0]=4 5232 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 240690a_100000724931_100015396687 [0,0,0,1,0,1|2,0,0]=4 5233 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 527a_100000724931_100015396687 [0,0,0,1,0,1|2,0,0]=4 5234 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 240690a_100000210304_100015396687 [0,0,0,1,0,1|1,0,0]=3 5235 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 527a_100000210304_100015396687 [0,0,0,1,0,1|1,0,0]=3 5236 B10R1.179 C#CCNC(=O)C1(CC1)O 240690a_100000212058_100000241761 [0,1,0,1,0,0|1,0,1]=4 5237 B10R1.179 C=CCNC(=O)C1(CC1)O 240690a_100020586998_100000241761 [0,1,0,1,0,0|1,0,1]=4 5238 B10R1.179 CC1(CC1)C(=O)CCCO 1458a_100000756474_100011215043 [0,1,0,1,0,0|2,0,0]=4 5239 B10R1.179 CC1(CC1)C(=O)NCCF 11a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 5240 B10R1.179 CC1(CC1)C(=O)NCCF 1626a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 5241 B10R1.179 CC1(CC1)C(=O)NCCF 240690a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 5242 B10R1.179 CC1(CC1)C(=O)NCCF 527a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 5243 B10R1.179 CC1(CC1)C(=O)NCCO 240690a_100000210304_100000756474 [0,1,0,1,0,0|1,0,0]=3 5244 B10R1.179 CC1(CC1)C(=O)NCCO 527a_100000210304_100000756474 [0,1,0,1,0,0|1,0,0]=3 5245 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|2,0,0]=4 5246 B10R1.179 CCCNC(=O)C1(CC1)C 11a_100020643023_100000756474 [0,1,0,1,0,0|2,0,0]=4 5247 B10R1.179 CCCNC(=O)C1(CC1)C 1626a_100020643023_100000756474 [0,1,0,1,0,0|2,0,0]=4 5248 B10R1.179 CCCNC(=O)C1(CC1)C 240690a_100020643023_100000756474 [0,1,0,1,0,0|2,0,0]=4 5249 B10R1.179 CCCNC(=O)C1(CC1)C 527a_100020643023_100000756474 [0,1,0,1,0,0|2,0,0]=4 5250 B10R1.179 CCCNC(=O)C1(CC1)F 11a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 5251 B10R1.179 CCCNC(=O)C1(CC1)F 1626a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 5252 B10R1.179 CCCNC(=O)C1(CC1)F 240690a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 5253 B10R1.179 CCCNC(=O)C1(CC1)F 527a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 5254 B10R1.179 CCCNC(=O)C1(CC1)O 240690a_100020643023_100000241761 [0,1,0,1,0,0|1,0,0]=3 5255 B10R1.179 CCNNC(=O)C1(CC1)O 22a_100000756455_100000241761 [0,1,0,1,0,0|2,0,0]=4 5256 B10R1.179 O=C(CCCF)C1(CC1)O 1458a_100000241761_100011934791 [0,1,0,1,0,0|2,0,0]=4 5257 B10R1.179 O=C(CCCO)C1(CC1)F 1458a_100000055089_100011215043 [0,1,0,1,0,0|2,0,0]=4 5258 B10R1.179 O=C(CCCO)C1(CC1)O 1458a_100000241761_100011215043 [0,1,0,1,0,0|1,0,0]=3 5259 B10R1.179 O=C(NCCF)C1(CC1)F 11a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 5260 B10R1.179 O=C(NCCF)C1(CC1)F 1626a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 5261 B10R1.179 O=C(NCCF)C1(CC1)F 240690a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 5262 B10R1.179 O=C(NCCF)C1(CC1)F 527a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 5263 B10R1.179 O=C(NCCF)C1(CC1)O 240690a_100000724931_100000241761 [0,1,0,1,0,0|1,0,0]=3 5264 B10R1.179 O=C(NCCO)C1(CC1)F 240690a_100000210304_100000055089 [0,1,0,1,0,0|1,0,0]=3 5265 B10R1.179 O=C(NCCO)C1(CC1)F 527a_100000210304_100000055089 [0,1,0,1,0,0|1,0,0]=3 5266 B10R1.179 O=C(NCCO)C1(CC1)O 240690a_100000210304_100000241761 [0,1,0,1,0,0|0,0,0]=2 5267 B10R1.274 CC(C)(C)C(=O)N1CCC1 11a_100000754969_106744555173 [0,1,0,1,0,0|2,0,0]=4 5268 B10R1.274 CC(C)(C)C(=O)N1CCC1 240690a_100000754969_106744555173 [0,1,0,1,0,0|2,0,0]=4 5269 B10R1.274 CC(C)(C)C(=O)N1CCC1 527a_100000754969_106744555173 [0,1,0,1,0,0|2,0,0]=4 5270 B10R1.274 CC(C)(F)C(=O)N1CCC1 11a_100000754969_100000765255 [0,1,0,1,0,0|2,0,0]=4 5271 B10R1.274 CC(C)(F)C(=O)N1CCC1 240690a_100000754969_100000765255 [0,1,0,1,0,0|2,0,0]=4 5272 B10R1.274 CC(C)(F)C(=O)N1CCC1 527a_100000754969_100000765255 [0,1,0,1,0,0|2,0,0]=4 5273 B10R1.274 CC(C)(O)C(=O)C1CCC1 1458a_100000242741_100000749161 [0,1,0,1,0,0|2,0,0]=4 5274 B10R1.274 CC(C)(O)C(=O)N1CCC1 240690a_100000754969_100000242741 [0,1,0,1,0,0|1,0,0]=3 5275 B10R1.274 CC(F)(F)C(=O)N1CCC1 11a_100000754969_100000042251 [0,1,0,1,0,0|2,0,0]=4 5276 B10R1.274 CC(F)(F)C(=O)N1CCC1 240690a_100000754969_100000042251 [0,1,0,1,0,0|2,0,0]=4 5277 B10R1.274 CC(F)(F)C(=O)N1CCC1 527a_100000754969_100000042251 [0,1,0,1,0,0|2,0,0]=4 5278 B10R1.372 CC(C)(C)C(=O)CC1CO1 1458a_106744555173_100011216344 [0,1,0,1,0,0|2,0,0]=4 5279 B10R1.372 CC(C)(C)C(=O)C[C@@H]1CO1 1458a_106744555173_100000745022 [0,1,0,1,0,0|2,0,0]=4 5280 B10R1.372 CC(C)(C)C(=O)NC1CC1 1626a_100000212008_106744555173 [0,1,0,1,0,0|2,0,0]=4 5281 B10R1.372 CC(C)(C)C(=O)NC1CC1 240690a_100000212008_106744555173 [0,1,0,1,0,0|2,0,0]=4 5282 B10R1.372 CC(C)(C)C(=O)NC1CC1 527a_100000212008_106744555173 [0,1,0,1,0,0|2,0,0]=4 5283 B10R1.372 CC(C)(F)C(=O)CC1CO1 1458a_100000765255_100011216344 [0,1,0,1,0,0|2,0,0]=4 5284 B10R1.372 CC(C)(F)C(=O)C[C@@H]1CO1 1458a_100000765255_100000745022 [0,1,0,1,0,0|2,0,0]=4 5285 B10R1.372 CC(C)(F)C(=O)NC1CC1 1626a_100000212008_100000765255 [0,1,0,1,0,0|2,0,0]=4 5286 B10R1.372 CC(C)(F)C(=O)NC1CC1 240690a_100000212008_100000765255 [0,1,0,1,0,0|2,0,0]=4 5287 B10R1.372 CC(C)(F)C(=O)NC1CC1 527a_100000212008_100000765255 [0,1,0,1,0,0|2,0,0]=4 5288 B10R1.372 CC(C)(O)C(=O)CC1CC1 1458a_100000242741_100000742324 [0,1,0,1,0,0|2,0,0]=4 5289 B10R1.372 CC(C)(O)C(=O)CC1CO1 1458a_100000242741_100011216344 [0,1,0,1,0,0|1,0,0]=3 5290 B10R1.372 CC(C)(O)C(=O)CC1CS1 1458a_100000242741_100000031435 [0,1,0,1,0,0|1,1,0]=4 5291 B10R1.372 CC(C)(O)C(=O)C[C@@H]1CO1 1458a_100000242741_100000745022 [0,1,0,1,0,0|1,0,0]=3 5292 B10R1.372 CC(C)(O)C(=O)NC1CC1 240690a_100000212008_100000242741 [0,1,0,1,0,0|1,0,0]=3 5293 B10R1.372 CC(F)(F)C(=O)NC1CC1 1626a_100000212008_100000042251 [0,1,0,1,0,0|2,0,0]=4 5294 B10R1.372 CC(F)(F)C(=O)NC1CC1 240690a_100000212008_100000042251 [0,1,0,1,0,0|2,0,0]=4 5295 B10R1.372 CC(F)(F)C(=O)NC1CC1 527a_100000212008_100000042251 [0,1,0,1,0,0|2,0,0]=4 5296 B10R1.23 CC(C)C(=O)C1=COCC1 1458a_100000750620_100000210206 [0,1,0,1,0,0|2,0,0]=4 5297 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,1,0,1,0,0|2,0,0]=4 5298 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,1,0,1,0,0|2,0,0]=4 5299 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,1,0,1,0,0|2,0,0]=4 5300 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,1,0,1,0,0|2,0,0]=4 5301 B10R1.23 CC(C)C(=O)N1CCSC1 11a_100011215254_100000210198 [0,1,0,1,0,0|1,1,0]=4 5302 B10R1.23 CC(C)C(=O)N1CCSC1 240690a_100011215254_100000210198 [0,1,0,1,0,0|1,1,0]=4 5303 B10R1.23 CC(C)C(=O)N1CCSC1 527a_100011215254_100000210198 [0,1,0,1,0,0|1,1,0]=4 5304 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,1,0,1,0,0|2,0,0]=4 5305 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,1,0,1,0,0|2,0,0]=4 5306 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,1,0,1,0,0|2,0,0]=4 5307 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,1,0,1,0,0|2,0,0]=4 5308 B10R1.23 CC(F)C(=O)N1CCSC1 11a_100011215254_100000062450 [0,1,0,1,0,0|1,1,0]=4 5309 B10R1.23 CC(F)C(=O)N1CCSC1 240690a_100011215254_100000062450 [0,1,0,1,0,0|1,1,0]=4 5310 B10R1.23 CC(F)C(=O)N1CCSC1 527a_100011215254_100000062450 [0,1,0,1,0,0|1,1,0]=4 5311 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|2,0,0]=4 5312 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|1,0,0]=3 5313 B10R1.23 C[C@@H](O)C(=O)N1CC=CC1 240690a_100015195280_100000717761 [0,1,0,1,0,0|1,0,1]=4 5314 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,1,0,0|1,0,0]=3 5315 B10R1.23 C[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000717761 [0,1,0,1,0,0|0,1,0]=3 5316 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|2,0,0]=4 5317 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|1,0,0]=3 5318 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 1626a_100015195280_217856618621 [0,1,0,1,0,0|1,0,1]=4 5319 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 240690a_100015195280_217856618621 [0,1,0,1,0,0|1,0,1]=4 5320 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,1,0,0|1,0,0]=3 5321 B10R1.23 C[C@H](O)C(=O)N1CCSC1 240690a_100011215254_217856618621 [0,1,0,1,0,0|0,1,0]=3 5322 B10R1.23 O=C(C(O)O)C1CCOC1 1458a_100000233687_100000690089 [0,1,0,1,0,0|2,0,0]=4 5323 B10R1.23 O=C(C(O)O)N1CCCC1 240690a_100000188435_100000233687 [0,1,0,1,0,0|2,0,0]=4 5324 B10R1.23 O=C(C(O)O)N1CCSC1 240690a_100011215254_100000233687 [0,1,0,1,0,0|1,1,0]=4 5325 B10R1.81 C=C(C)C(=O)N1CC(C1)O 11a_100000749847_100000185857 [0,1,0,1,0,0|1,0,1]=4 5326 B10R1.81 CC(C)C(=O)N1CC(C1)F 11a_100000690557_100000210198 [0,1,0,1,0,0|2,0,0]=4 5327 B10R1.81 CC(C)C(=O)N1CC(C1)F 240690a_100000690557_100000210198 [0,1,0,1,0,0|2,0,0]=4 5328 B10R1.81 CC(C)C(=O)N1CC(C1)F 527a_100000690557_100000210198 [0,1,0,1,0,0|2,0,0]=4 5329 B10R1.81 CC(C)C(=O)N1CC(C1)O 11a_100000749847_100000210198 [0,1,0,1,0,0|1,0,0]=3 5330 B10R1.81 CC(C)C(=O)N1CC(C1)O 240690a_100000749847_100000210198 [0,1,0,1,0,0|1,0,0]=3 5331 B10R1.81 CC(C)C(=O)N1CC(C1)O 527a_100000749847_100000210198 [0,1,0,1,0,0|1,0,0]=3 5332 B10R1.81 CC(C)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210206 [0,1,0,1,0,0|2,0,0]=4 5333 B10R1.81 CC(F)C(=O)N1CC(C1)F 11a_100000690557_100000062450 [0,1,0,1,0,0|2,0,0]=4 5334 B10R1.81 CC(F)C(=O)N1CC(C1)F 240690a_100000690557_100000062450 [0,1,0,1,0,0|2,0,0]=4 5335 B10R1.81 CC(F)C(=O)N1CC(C1)F 527a_100000690557_100000062450 [0,1,0,1,0,0|2,0,0]=4 5336 B10R1.81 CC(F)C(=O)N1CC(C1)O 11a_100000749847_100000062450 [0,1,0,1,0,0|1,0,0]=3 5337 B10R1.81 CC(F)C(=O)N1CC(C1)O 240690a_100000749847_100000062450 [0,1,0,1,0,0|1,0,0]=3 5338 B10R1.81 CC(F)C(=O)N1CC(C1)O 527a_100000749847_100000062450 [0,1,0,1,0,0|1,0,0]=3 5339 B10R1.81 CC1CN(C1)C(=O)C(C)C 11a_100000702820_100000210198 [0,1,0,1,0,0|2,0,0]=4 5340 B10R1.81 CC1CN(C1)C(=O)C(C)C 240690a_100000702820_100000210198 [0,1,0,1,0,0|2,0,0]=4 5341 B10R1.81 CC1CN(C1)C(=O)C(C)C 527a_100000702820_100000210198 [0,1,0,1,0,0|2,0,0]=4 5342 B10R1.81 CC1CN(C1)C(=O)C(C)F 11a_100000702820_100000062450 [0,1,0,1,0,0|2,0,0]=4 5343 B10R1.81 CC1CN(C1)C(=O)C(C)F 240690a_100000702820_100000062450 [0,1,0,1,0,0|2,0,0]=4 5344 B10R1.81 CC1CN(C1)C(=O)C(C)F 527a_100000702820_100000062450 [0,1,0,1,0,0|2,0,0]=4 5345 B10R1.81 CC1CN(C1)C(=O)C(O)O 240690a_100000702820_100000233687 [0,1,0,1,0,0|2,0,0]=4 5346 B10R1.81 CC1CN(C1)C(=O)[C@@H](C)O 240690a_100000702820_100000717761 [0,1,0,1,0,0|1,0,0]=3 5347 B10R1.81 CC1CN(C1)C(=O)[C@H](C)O 240690a_100000702820_217856618621 [0,1,0,1,0,0|1,0,0]=3 5348 B10R1.81 C[C@@H](O)C(=O)N1CC(C1)F 240690a_100000690557_100000717761 [0,1,0,1,0,0|1,0,0]=3 5349 B10R1.81 C[C@@H](O)C(=O)N1CC(C1)O 240690a_100000749847_100000717761 [0,1,0,1,0,0|0,0,0]=2 5350 B10R1.81 C[C@H](O)C(=O)N1CC(C1)F 240690a_100000690557_217856618621 [0,1,0,1,0,0|1,0,0]=3 5351 B10R1.81 C[C@H](O)C(=O)N1CC(C1)O 240690a_100000749847_217856618621 [0,1,0,1,0,0|0,0,0]=2 5352 B10R1.81 O=C(C(F)F)N1CC(C1)O 11a_100000749847_100000210393 [0,1,0,1,0,0|2,0,0]=4 5353 B10R1.81 O=C(C(F)F)N1CC(C1)O 240690a_100000749847_100000210393 [0,1,0,1,0,0|2,0,0]=4 5354 B10R1.81 O=C(C(F)F)N1CC(C1)O 527a_100000749847_100000210393 [0,1,0,1,0,0|2,0,0]=4 5355 B10R1.81 O=C(C(O)O)N1CC(C1)F 240690a_100000690557_100000233687 [0,1,0,1,0,0|2,0,0]=4 5356 B10R1.81 O=C(C(O)O)N1CC(C1)O 240690a_100000749847_100000233687 [0,1,0,1,0,0|1,0,0]=3 5357 B10R1.212 C#CCN(C)C(=O)C1CO1 11a_100000225692_100000701028 [0,1,0,1,0,0|1,0,1]=4 5358 B10R1.212 C#CCN(C)C(=O)C1CO1 1626a_100000225692_100000701028 [0,1,0,1,0,0|1,0,1]=4 5359 B10R1.212 C#CCN(C)C(=O)C1CO1 527a_100000225692_100000701028 [0,1,0,1,0,0|1,0,1]=4 5360 B10R1.212 C=CCN(C)C(=O)C1CO1 11a_100000225617_100000701028 [0,1,0,1,0,0|1,0,1]=4 5361 B10R1.212 C=CCN(C)C(=O)C1CO1 1626a_100000225617_100000701028 [0,1,0,1,0,0|1,0,1]=4 5362 B10R1.212 C=CCN(C)C(=O)C1CO1 240690a_100000225617_100000701028 [0,1,0,1,0,0|1,0,1]=4 5363 B10R1.212 C=CCN(C)C(=O)C1CO1 527a_100000225617_100000701028 [0,1,0,1,0,0|1,0,1]=4 5364 B10R1.212 CC(C1CO1)N(C)CCO 270004a_100000210263_100000031964 [0,1,0,1,0,0|1,0,1]=4 5365 B10R1.212 CC(CCO)C(=O)C1CC1 1458a_100000210395_100009893172 [0,1,0,1,0,0|2,0,0]=4 5366 B10R1.212 CC(CCO)C(=O)C1CO1 1458a_100000701028_100009893172 [0,1,0,1,0,0|1,0,0]=3 5367 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,1,0,1,0,0|2,0,0]=4 5368 B10R1.212 CCCN(C)C(=O)C1CC1 11a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 5369 B10R1.212 CCCN(C)C(=O)C1CC1 1626a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 5370 B10R1.212 CCCN(C)C(=O)C1CC1 240690a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 5371 B10R1.212 CCCN(C)C(=O)C1CC1 527a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 5372 B10R1.212 CCCN(C)C(=O)C1CO1 11a_100000747261_100000701028 [0,1,0,1,0,0|1,0,0]=3 5373 B10R1.212 CCCN(C)C(=O)C1CO1 1626a_100000747261_100000701028 [0,1,0,1,0,0|1,0,0]=3 5374 B10R1.212 CCCN(C)C(=O)C1CO1 240690a_100000747261_100000701028 [0,1,0,1,0,0|1,0,0]=3 5375 B10R1.212 CCCN(C)C(=O)C1CO1 527a_100000747261_100000701028 [0,1,0,1,0,0|1,0,0]=3 5376 B10R1.212 CN(CC#N)C(=O)C1CO1 11a_100000748184_100000701028 [0,1,0,1,0,0|1,0,1]=4 5377 B10R1.212 CN(CC#N)C(=O)C1CO1 1626a_100000748184_100000701028 [0,1,0,1,0,0|1,0,1]=4 5378 B10R1.212 CN(CCO)C(=O)C1CC1 240690a_100000210263_100000210395 [0,1,0,1,0,0|1,0,0]=3 5379 B10R1.212 CN(CCO)C(=O)C1CC1 527a_100000210263_100000210395 [0,1,0,1,0,0|1,0,0]=3 5380 B10R1.212 CN(CCO)C(=O)C1CO1 240690a_100000210263_100000701028 [0,1,0,1,0,0|0,0,0]=2 5381 B10R1.212 CN(CCO)C(=O)C1CO1 527a_100000210263_100000701028 [0,1,0,1,0,0|0,0,0]=2 5382 B10R1.278 CC(C)C(=O)N(C)C1CC1 11a_100000226674_100000210198 [0,1,0,1,0,0|2,0,0]=4 5383 B10R1.278 CC(C)C(=O)N(C)C1CC1 1626a_100000226674_100000210198 [0,1,0,1,0,0|2,0,0]=4 5384 B10R1.278 CC(C)C(=O)N(C)C1CC1 240690a_100000226674_100000210198 [0,1,0,1,0,0|2,0,0]=4 5385 B10R1.278 CC(C)C(=O)N(C)C1CC1 527a_100000226674_100000210198 [0,1,0,1,0,0|2,0,0]=4 5386 B10R1.278 CC(F)C(=O)N(C)C1CC1 11a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 5387 B10R1.278 CC(F)C(=O)N(C)C1CC1 1626a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 5388 B10R1.278 CC(F)C(=O)N(C)C1CC1 240690a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 5389 B10R1.278 CC(F)C(=O)N(C)C1CC1 527a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 5390 B10R1.278 CN(C(=O)C(O)O)C1CC1 240690a_100000226674_100000233687 [0,1,0,1,0,0|2,0,0]=4 5391 B10R1.278 C[C@@H](O)C(=O)N(C)C1CC1 240690a_100000226674_100000717761 [0,1,0,1,0,0|1,0,0]=3 5392 B10R1.278 C[C@H](O)C(=O)N(C)C1CC1 1626a_100000226674_217856618621 [0,1,0,1,0,0|1,0,0]=3 5393 B10R1.278 C[C@H](O)C(=O)N(C)C1CC1 240690a_100000226674_217856618621 [0,1,0,1,0,0|1,0,0]=3 5394 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218427 [0,1,0,1,0,0|1,0,1]=4 5395 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218427 [0,1,0,1,0,0|1,0,1]=4 5396 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009817552 [0,1,0,1,0,0|1,0,1]=4 5397 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009817552 [0,1,0,1,0,0|1,0,1]=4 5398 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210198 [0,1,0,1,0,0|2,0,0]=4 5399 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210198 [0,1,0,1,0,0|2,0,0]=4 5400 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 5401 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 5402 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 5403 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 5404 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000062450 [0,1,0,1,0,0|2,0,0]=4 5405 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000062450 [0,1,0,1,0,0|2,0,0]=4 5406 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 5407 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 5408 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 5409 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 5410 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000717761 [0,1,0,1,0,0|1,0,0]=3 5411 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000717761 [0,1,0,1,0,0|1,0,0]=3 5412 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_217856618621 [0,1,0,1,0,0|1,0,0]=3 5413 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_217856618621 [0,1,0,1,0,0|1,0,0]=3 5414 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_217856618621 [0,1,0,1,0,0|1,0,0]=3 5415 B10R1.190 O=C(N[C@@H]1C[C@@H]1F)C(O)O 240690a_100015190264_100000233687 [0,1,0,1,0,0|2,0,0]=4 5416 B10R1.190 O=C(N[C@@H]1C[C@H]1F)C(O)O 240690a_100025746932_100000233687 [0,1,0,1,0,0|2,0,0]=4 5417 B10R1.205 CC(=NNC1CC1)C(C)O 4a_100000701032_100000212229 [0,1,0,1,0,0|2,0,0]=4 5418 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,1,0,1,0,0|2,0,0]=4 5419 B10R1.205 CC(C)C(=O)CNC1CC1 34a_100000212008_100000753385 [0,1,0,1,0,0|2,0,0]=4 5420 B10R1.205 CC(C)C(=O)NCC1CC1 11a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 5421 B10R1.205 CC(C)C(=O)NCC1CC1 1626a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 5422 B10R1.205 CC(C)C(=O)NCC1CC1 240690a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 5423 B10R1.205 CC(C)C(=O)NCC1CC1 527a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 5424 B10R1.205 CC(C)C(=O)NNC1CC1 22a_100000701032_100000210198 [0,1,0,1,0,0|2,0,0]=4 5425 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,1,0,1,0,0|2,0,0]=4 5426 B10R1.205 CC(F)C(=O)NCC1CC1 11a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 5427 B10R1.205 CC(F)C(=O)NCC1CC1 1626a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 5428 B10R1.205 CC(F)C(=O)NCC1CC1 240690a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 5429 B10R1.205 CC(F)C(=O)NCC1CC1 527a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 5430 B10R1.205 CC(F)C(=O)NNC1CC1 22a_100000701032_100000062450 [0,1,0,1,0,0|2,0,0]=4 5431 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|2,0,0]=4 5432 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|1,0,0]=3 5433 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,1,0,1,0,0|1,0,0]=3 5434 B10R1.205 C[C@@H](O)C(=O)NNC1CC1 22a_100000701032_100000717761 [0,1,0,1,0,0|1,0,0]=3 5435 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|2,0,0]=4 5436 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|1,0,0]=3 5437 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,1,0,1,0,0|1,0,0]=3 5438 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,1,0,1,0,0|1,0,0]=3 5439 B10R1.205 C[C@H](O)C(=O)NNC1CC1 22a_100000701032_217856618621 [0,1,0,1,0,0|1,0,0]=3 5440 B10R1.205 O=C(CCC1CO1)C(O)O 1458a_100000233687_100000732470 [0,1,0,1,0,0|2,0,0]=4 5441 B10R1.205 O=C(NCC1CC1)C(O)O 240690a_100000735609_100000233687 [0,1,0,1,0,0|2,0,0]=4 5442 B10R1.205 O=C(NNC1CC1)C(O)O 22a_100000701032_100000233687 [0,1,0,1,0,0|2,0,0]=4 5443 B10R1.211 C=C(C)CNC(=O)C1CO1 11a_100000765925_100000701028 [0,1,0,1,0,0|1,0,1]=4 5444 B10R1.211 C=C(C)CNC(=O)C1CO1 1626a_100000765925_100000701028 [0,1,0,1,0,0|1,0,1]=4 5445 B10R1.211 C=C(C)CNC(=O)C1CO1 240690a_100000765925_100000701028 [0,1,0,1,0,0|1,0,1]=4 5446 B10R1.211 C=C(C)CNC(=O)C1CO1 527a_100000765925_100000701028 [0,1,0,1,0,0|1,0,1]=4 5447 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,1,0,1,0,0|2,0,0]=4 5448 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [0,1,0,1,0,0|2,0,0]=4 5449 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [0,1,0,1,0,0|2,0,0]=4 5450 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [0,1,0,1,0,0|2,0,0]=4 5451 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [0,1,0,1,0,0|2,0,0]=4 5452 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [0,1,0,1,0,0|1,0,0]=3 5453 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [0,1,0,1,0,0|1,0,0]=3 5454 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [0,1,0,1,0,0|1,0,0]=3 5455 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [0,1,0,1,0,0|1,0,0]=3 5456 B10R1.211 CC(C)NNC(=O)C1CO1 22a_100000741168_100000701028 [0,1,0,1,0,0|2,0,0]=4 5457 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|2,0,0]=4 5458 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|1,0,0]=3 5459 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 5460 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 5461 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 5462 B10R1.211 CC(O)CNC(=O)C1CO1 11a_100000210904_100000701028 [0,1,0,1,0,0|0,0,0]=2 5463 B10R1.211 CC(O)CNC(=O)C1CO1 240690a_100000210904_100000701028 [0,1,0,1,0,0|0,0,0]=2 5464 B10R1.211 CC(O)CNC(=O)C1CO1 527a_100000210904_100000701028 [0,1,0,1,0,0|0,0,0]=2 5465 B10R1.211 CC(O)CNC(C)C1CO1 270004a_100000210904_100000031964 [0,1,0,1,0,0|1,0,1]=4 5466 B10R1.211 NC(=O)CNC(=O)C1CO1 11a_100000711301_100000701028 [0,1,0,1,0,0|0,0,2]=4 5467 B10R1.211 NC(=O)CNC(=O)C1CO1 240690a_100000711301_100000701028 [0,1,0,1,0,0|0,0,2]=4 5468 B10R1.211 NC(=O)CNC(=O)C1CO1 527a_100000711301_100000701028 [0,1,0,1,0,0|0,0,2]=4 5469 B10R1.211 O=C(NCC(F)F)C1CC1 11a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 5470 B10R1.211 O=C(NCC(F)F)C1CC1 1626a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 5471 B10R1.211 O=C(NCC(F)F)C1CC1 240690a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 5472 B10R1.211 O=C(NCC(F)F)C1CC1 527a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 5473 B10R1.211 O=C(NCC(F)F)C1CO1 11a_100000765723_100000701028 [0,1,0,1,0,0|1,0,0]=3 5474 B10R1.211 O=C(NCC(F)F)C1CO1 1626a_100000765723_100000701028 [0,1,0,1,0,0|1,0,0]=3 5475 B10R1.211 O=C(NCC(F)F)C1CO1 240690a_100000765723_100000701028 [0,1,0,1,0,0|1,0,0]=3 5476 B10R1.211 O=C(NCC(F)F)C1CO1 527a_100000765723_100000701028 [0,1,0,1,0,0|1,0,0]=3 5477 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 5478 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 5479 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 5480 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 5481 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,1,0]=4 5482 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,1,0]=4 5483 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 5484 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 5485 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,1,0]=4 5486 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,1,0]=4 5487 B10R1.29 CC1OCCC1NCCO 270004a_100000210304_100000691750 [0,1,0,1,0,0|1,0,1]=4 5488 B10R1.29 OCCNC1COCC1O 34a_100016990907_200000725654 [0,1,0,1,0,0|0,0,2]=4 5489 B10R1.29 OCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000211926 [0,1,0,1,0,0|0,0,2]=4 5490 B10R1.178 C#CCNC(=O)C1CCO1 11a_100000212058_100000089072 [0,1,0,1,0,0|1,0,1]=4 5491 B10R1.178 C#CCNC(=O)C1CCO1 1626a_100000212058_100000089072 [0,1,0,1,0,0|1,0,1]=4 5492 B10R1.178 C#CCNC(=O)C1CCO1 240690a_100000212058_100000089072 [0,1,0,1,0,0|1,0,1]=4 5493 B10R1.178 C#CCNC(=O)C1CCO1 527a_100000212058_100000089072 [0,1,0,1,0,0|1,0,1]=4 5494 B10R1.178 C#CCNC(=O)C1COC1 11a_100000212058_100000758290 [0,1,0,1,0,0|1,0,1]=4 5495 B10R1.178 C#CCNC(=O)C1COC1 1626a_100000212058_100000758290 [0,1,0,1,0,0|1,0,1]=4 5496 B10R1.178 C#CCNC(=O)C1COC1 240690a_100000212058_100000758290 [0,1,0,1,0,0|1,0,1]=4 5497 B10R1.178 C#CCNC(=O)C1COC1 527a_100000212058_100000758290 [0,1,0,1,0,0|1,0,1]=4 5498 B10R1.178 C=CCNC(=O)C1CCO1 1626a_100020586998_100000089072 [0,1,0,1,0,0|1,0,1]=4 5499 B10R1.178 C=CCNC(=O)C1CCO1 240690a_100020586998_100000089072 [0,1,0,1,0,0|1,0,1]=4 5500 B10R1.178 C=CCNC(=O)C1CCO1 527a_100020586998_100000089072 [0,1,0,1,0,0|1,0,1]=4 5501 B10R1.178 C=CCNC(=O)C1COC1 1626a_100020586998_100000758290 [0,1,0,1,0,0|1,0,1]=4 5502 B10R1.178 C=CCNC(=O)C1COC1 240690a_100020586998_100000758290 [0,1,0,1,0,0|1,0,1]=4 5503 B10R1.178 C=CCNC(=O)C1COC1 527a_100020586998_100000758290 [0,1,0,1,0,0|1,0,1]=4 5504 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|2,0,0]=4 5505 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|2,0,0]=4 5506 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|2,0,0]=4 5507 B10R1.178 CCCNC(=O)C1CCC1 11a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 5508 B10R1.178 CCCNC(=O)C1CCC1 1626a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 5509 B10R1.178 CCCNC(=O)C1CCC1 240690a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 5510 B10R1.178 CCCNC(=O)C1CCC1 527a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 5511 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 5512 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 5513 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 5514 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 5515 B10R1.178 CCCNC(=O)C1COC1 11a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 5516 B10R1.178 CCCNC(=O)C1COC1 1626a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 5517 B10R1.178 CCCNC(=O)C1COC1 240690a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 5518 B10R1.178 CCCNC(=O)C1COC1 527a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 5519 B10R1.178 CCNNC(=O)C1CCO1 22a_100000756455_100000089072 [0,1,0,1,0,0|2,0,0]=4 5520 B10R1.178 CCNNC(=O)C1COC1 22a_100000756455_100000758290 [0,1,0,1,0,0|2,0,0]=4 5521 B10R1.178 N#CCNC(=O)C1CCO1 1626a_100000734998_100000089072 [0,1,0,1,0,0|1,0,1]=4 5522 B10R1.178 N#CCNC(=O)C1CCO1 527a_100000734998_100000089072 [0,1,0,1,0,0|1,0,1]=4 5523 B10R1.178 N#CCNC(=O)C1COC1 1626a_100000734998_100000758290 [0,1,0,1,0,0|1,0,1]=4 5524 B10R1.178 N#CCNC(=O)C1COC1 527a_100000734998_100000758290 [0,1,0,1,0,0|1,0,1]=4 5525 B10R1.178 O=C(C#CCO)C1COC1 1458a_100000049017_100000687716 [0,1,0,1,0,0|1,0,1]=4 5526 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|2,0,0]=4 5527 B10R1.178 O=C(CCCF)C1COC1 1458a_100000758290_100011934791 [0,1,0,1,0,0|2,0,0]=4 5528 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [0,1,0,1,0,0|2,0,0]=4 5529 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|1,0,0]=3 5530 B10R1.178 O=C(CCCO)C1COC1 1458a_100000758290_100011215043 [0,1,0,1,0,0|1,0,0]=3 5531 B10R1.178 O=C(NCCF)C1CCC1 11a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 5532 B10R1.178 O=C(NCCF)C1CCC1 1626a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 5533 B10R1.178 O=C(NCCF)C1CCC1 240690a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 5534 B10R1.178 O=C(NCCF)C1CCC1 527a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 5535 B10R1.178 O=C(NCCF)C1CCO1 11a_100000724931_100000089072 [0,1,0,1,0,0|1,0,0]=3 5536 B10R1.178 O=C(NCCF)C1CCO1 1626a_100000724931_100000089072 [0,1,0,1,0,0|1,0,0]=3 5537 B10R1.178 O=C(NCCF)C1CCO1 240690a_100000724931_100000089072 [0,1,0,1,0,0|1,0,0]=3 5538 B10R1.178 O=C(NCCF)C1CCO1 527a_100000724931_100000089072 [0,1,0,1,0,0|1,0,0]=3 5539 B10R1.178 O=C(NCCF)C1COC1 11a_100000724931_100000758290 [0,1,0,1,0,0|1,0,0]=3 5540 B10R1.178 O=C(NCCF)C1COC1 1626a_100000724931_100000758290 [0,1,0,1,0,0|1,0,0]=3 5541 B10R1.178 O=C(NCCF)C1COC1 240690a_100000724931_100000758290 [0,1,0,1,0,0|1,0,0]=3 5542 B10R1.178 O=C(NCCF)C1COC1 527a_100000724931_100000758290 [0,1,0,1,0,0|1,0,0]=3 5543 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [0,1,0,1,0,0|1,0,0]=3 5544 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [0,1,0,1,0,0|1,0,0]=3 5545 B10R1.178 O=C(NCCO)C1CCO1 240690a_100000210304_100000089072 [0,1,0,1,0,0|0,0,0]=2 5546 B10R1.178 O=C(NCCO)C1CCO1 527a_100000210304_100000089072 [0,1,0,1,0,0|0,0,0]=2 5547 B10R1.178 O=C(NCCO)C1COC1 240690a_100000210304_100000758290 [0,1,0,1,0,0|0,0,0]=2 5548 B10R1.178 O=C(NCCO)C1COC1 527a_100000210304_100000758290 [0,1,0,1,0,0|0,0,0]=2 5549 B10R1.178 O=C(NCCO)N1CCC1 273464a_100000210304_100000754969 [0,1,0,1,0,0|2,0,0]=4 5550 B10R1.182 C#CC(C)C(=O)C1CCO1 1458a_100000089072_200000035995 [0,1,0,1,0,0|2,0,0]=4 5551 B10R1.182 C=CC(C)C(=O)N1CCC1 11a_100000754969_100011216780 [0,1,0,1,0,0|2,0,0]=4 5552 B10R1.182 C=CC(C)C(=O)N1CCC1 240690a_100000754969_100011216780 [0,1,0,1,0,0|2,0,0]=4 5553 B10R1.182 C=CC(C)C(=O)N1CCC1 527a_100000754969_100011216780 [0,1,0,1,0,0|2,0,0]=4 5554 B10R1.182 CC(C#N)C(=O)C1CCO1 1458a_100000089072_100000703298 [0,1,0,1,0,0|2,0,0]=4 5555 B10R1.182 CC(C#N)C(=O)N1CCC1 11a_100000754969_100000753662 [0,1,0,1,0,0|2,0,0]=4 5556 B10R1.182 CC(C#N)C(=O)N1CCC1 240690a_100000754969_100000753662 [0,1,0,1,0,0|2,0,0]=4 5557 B10R1.182 CC(C#N)C(=O)N1CCC1 527a_100000754969_100000753662 [0,1,0,1,0,0|2,0,0]=4 5558 B10R1.182 CCC(C)C(=O)C1CCO1 1458a_100000089072_100000758301 [0,1,0,1,0,0|2,0,0]=4 5559 B10R1.182 CCC(C)C(=O)N1CCC1 11a_100000754969_100011192722 [0,1,0,1,0,0|2,0,0]=4 5560 B10R1.182 CCC(C)C(=O)N1CCC1 240690a_100000754969_100011192722 [0,1,0,1,0,0|2,0,0]=4 5561 B10R1.182 CCC(C)C(=O)N1CCC1 527a_100000754969_100011192722 [0,1,0,1,0,0|2,0,0]=4 5562 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|2,0,0]=4 5563 B10R1.182 CCC(O)C(=O)N1CCC1 240690a_100000754969_100011196387 [0,1,0,1,0,0|1,0,0]=3 5564 B10R1.182 COC(C)C(=O)C1CCC1 1458a_100000743197_100000749161 [0,1,0,1,0,0|2,0,0]=4 5565 B10R1.182 COC(C)C(=O)N1CCC1 11a_100000754969_100000743197 [0,1,0,1,0,0|1,0,0]=3 5566 B10R1.182 COC(C)C(=O)N1CCC1 240690a_100000754969_100000743197 [0,1,0,1,0,0|1,0,0]=3 5567 B10R1.182 COC(C)C(=O)N1CCC1 527a_100000754969_100000743197 [0,1,0,1,0,0|1,0,0]=3 5568 B10R1.182 CSC(C)C(=O)N1CCC1 11a_100000754969_100000149566 [0,1,0,1,0,0|1,1,0]=4 5569 B10R1.182 CSC(C)C(=O)N1CCC1 240690a_100000754969_100000149566 [0,1,0,1,0,0|1,1,0]=4 5570 B10R1.182 CSC(C)C(=O)N1CCC1 527a_100000754969_100000149566 [0,1,0,1,0,0|1,1,0]=4 5571 B10R1.182 O=C(C(O)CO)C1CCC1 1458a_100011215603_100000749161 [0,1,0,1,0,0|2,0,0]=4 5572 B10R1.182 O=C(C(O)CO)N1CCC1 240690a_100000754969_100011215603 [0,1,0,1,0,0|1,0,0]=3 5573 B10R1.184 C=CC(C)C(=O)CC1CO1 1458a_100011216780_100011216344 [0,1,0,1,0,0|2,0,0]=4 5574 B10R1.184 C=CC(C)C(=O)C[C@@H]1CO1 1458a_100011216780_100000745022 [0,1,0,1,0,0|2,0,0]=4 5575 B10R1.184 C=CC(C)C(=O)NC1CC1 1626a_100000212008_100011216780 [0,1,0,1,0,0|2,0,0]=4 5576 B10R1.184 C=CC(C)C(=O)NC1CC1 240690a_100000212008_100011216780 [0,1,0,1,0,0|2,0,0]=4 5577 B10R1.184 C=CC(C)C(=O)NC1CC1 527a_100000212008_100011216780 [0,1,0,1,0,0|2,0,0]=4 5578 B10R1.184 CC(C#N)C(=O)CC1CO1 1458a_100000753662_100011216344 [0,1,0,1,0,0|2,0,0]=4 5579 B10R1.184 CC(C#N)C(=O)C[C@@H]1CO1 1458a_100000753662_100000745022 [0,1,0,1,0,0|2,0,0]=4 5580 B10R1.184 CC(C#N)C(=O)NC1CC1 1626a_100000212008_100000753662 [0,1,0,1,0,0|2,0,0]=4 5581 B10R1.184 CC(C#N)C(=O)NC1CC1 240690a_100000212008_100000753662 [0,1,0,1,0,0|2,0,0]=4 5582 B10R1.184 CC(C#N)C(=O)NC1CC1 527a_100000212008_100000753662 [0,1,0,1,0,0|2,0,0]=4 5583 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_100000179742_200025704644 [0,1,0,1,0,0|1,1,0]=4 5584 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_200025704644_100000179742 [0,1,0,1,0,0|1,1,0]=4 5585 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,1,0,1,0,0|2,0,0]=4 5586 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,1,0,1,0,0|2,0,0]=4 5587 B10R1.184 CCC(C)C(=O)NC1CC1 1626a_100000212008_100011192722 [0,1,0,1,0,0|2,0,0]=4 5588 B10R1.184 CCC(C)C(=O)NC1CC1 240690a_100000212008_100011192722 [0,1,0,1,0,0|2,0,0]=4 5589 B10R1.184 CCC(C)C(=O)NC1CC1 527a_100000212008_100011192722 [0,1,0,1,0,0|2,0,0]=4 5590 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|2,0,0]=4 5591 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|1,0,0]=3 5592 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|1,1,0]=4 5593 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|1,0,0]=3 5594 B10R1.184 CCC(O)C(=O)NC1CC1 240690a_100000212008_100011196387 [0,1,0,1,0,0|1,0,0]=3 5595 B10R1.184 CNC(C)C(=O)NC1CC1 2230a_106832991635_100000179742 [0,1,0,1,0,0|2,0,0]=4 5596 B10R1.184 CNC(C)C(=O)NC1CC1 34a_100102657272_100000179742 [0,1,0,1,0,0|2,0,0]=4 5597 B10R1.184 CNC(C)C(=O)NC1CC1 7a_106832991635_100000179742 [0,1,0,1,0,0|2,0,0]=4 5598 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|2,0,0]=4 5599 B10R1.184 COC(C)C(=O)CC1CO1 1458a_100000743197_100011216344 [0,1,0,1,0,0|1,0,0]=3 5600 B10R1.184 COC(C)C(=O)CC1CS1 1458a_100000743197_100000031435 [0,1,0,1,0,0|1,1,0]=4 5601 B10R1.184 COC(C)C(=O)C[C@@H]1CO1 1458a_100000743197_100000745022 [0,1,0,1,0,0|1,0,0]=3 5602 B10R1.184 COC(C)C(=O)NC1CC1 1626a_100000212008_100000743197 [0,1,0,1,0,0|1,0,0]=3 5603 B10R1.184 COC(C)C(=O)NC1CC1 240690a_100000212008_100000743197 [0,1,0,1,0,0|1,0,0]=3 5604 B10R1.184 COC(C)C(=O)NC1CC1 34a_100138415774_100000179742 [0,1,0,1,0,0|1,0,0]=3 5605 B10R1.184 COC(C)C(=O)NC1CC1 527a_100000212008_100000743197 [0,1,0,1,0,0|1,0,0]=3 5606 B10R1.184 CSC(C)C(=O)CC1CO1 1458a_100000149566_100011216344 [0,1,0,1,0,0|1,1,0]=4 5607 B10R1.184 CSC(C)C(=O)C[C@@H]1CO1 1458a_100000149566_100000745022 [0,1,0,1,0,0|1,1,0]=4 5608 B10R1.184 CSC(C)C(=O)NC1CC1 1626a_100000212008_100000149566 [0,1,0,1,0,0|1,1,0]=4 5609 B10R1.184 CSC(C)C(=O)NC1CC1 240690a_100000212008_100000149566 [0,1,0,1,0,0|1,1,0]=4 5610 B10R1.184 CSC(C)C(=O)NC1CC1 527a_100000212008_100000149566 [0,1,0,1,0,0|1,1,0]=4 5611 B10R1.184 CSC(C)C(=O)NC1CC1 62a_100000179742_200000210301 [0,1,0,1,0,0|1,1,0]=4 5612 B10R1.184 CSC(C)C(=O)NC1CC1 62a_200000210301_100000179742 [0,1,0,1,0,0|1,1,0]=4 5613 B10R1.184 O=C(CC1CC1)C(O)CO 1458a_100011215603_100000742324 [0,1,0,1,0,0|2,0,0]=4 5614 B10R1.184 O=C(CC1CO1)C(O)CO 1458a_100011215603_100011216344 [0,1,0,1,0,0|1,0,0]=3 5615 B10R1.184 O=C(CC1CS1)C(O)CO 1458a_100011215603_100000031435 [0,1,0,1,0,0|1,1,0]=4 5616 B10R1.184 O=C(C[C@@H]1CO1)C(O)CO 1458a_100011215603_100000745022 [0,1,0,1,0,0|1,0,0]=3 5617 B10R1.184 O=C(NC1CC1)C(O)CO 240690a_100000212008_100011215603 [0,1,0,1,0,0|1,0,0]=3 5618 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011201679 [0,1,0,1,0,0|1,0,1]=4 5619 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000233755 [0,1,0,1,0,0|1,0,1]=4 5620 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 2230a_206633788156_100000230001 [0,1,0,1,0,0|1,0,1]=4 5621 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 269982a_206633788156_100011215043 [0,1,0,1,0,0|1,0,1]=4 5622 B10R1.116 CC(C)C(=O)N1CCC1C 11a_100000755817_100000210198 [0,1,0,1,0,0|2,0,0]=4 5623 B10R1.116 CC(C)C(=O)N1CCC1C 240690a_100000755817_100000210198 [0,1,0,1,0,0|2,0,0]=4 5624 B10R1.116 CC(C)C(=O)N1CCC1C 527a_100000755817_100000210198 [0,1,0,1,0,0|2,0,0]=4 5625 B10R1.116 CC(F)C(=O)N1CCC1C 11a_100000755817_100000062450 [0,1,0,1,0,0|2,0,0]=4 5626 B10R1.116 CC(F)C(=O)N1CCC1C 240690a_100000755817_100000062450 [0,1,0,1,0,0|2,0,0]=4 5627 B10R1.116 CC(F)C(=O)N1CCC1C 527a_100000755817_100000062450 [0,1,0,1,0,0|2,0,0]=4 5628 B10R1.116 CC1CCN1C(=O)C(O)O 240690a_100000755817_100000233687 [0,1,0,1,0,0|2,0,0]=4 5629 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,1,0,1,0,0|1,0,0]=3 5630 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,1,0,1,0,0|1,0,0]=3 5631 B10R1.116 C[C@@H](O)C(=O)C1CCC1=O 1458a_100000717761_100009892977 [0,1,0,1,0,0|1,0,1]=4 5632 B10R1.116 C[C@H](O)C(=O)C1CCC1=O 1458a_217856618621_100009892977 [0,1,0,1,0,0|1,0,1]=4 5633 B10R1.134 C#CC(C)NC(=O)C1CO1 11a_100000707721_100000701028 [0,1,0,1,0,0|1,0,1]=4 5634 B10R1.134 C#CC(C)NC(=O)C1CO1 1626a_100000707721_100000701028 [0,1,0,1,0,0|1,0,1]=4 5635 B10R1.134 C#CC(C)NC(=O)C1CO1 240690a_100000707721_100000701028 [0,1,0,1,0,0|1,0,1]=4 5636 B10R1.134 C#CC(C)NC(=O)C1CO1 527a_100000707721_100000701028 [0,1,0,1,0,0|1,0,1]=4 5637 B10R1.134 CC(C#N)NC(=O)C1CO1 11a_100000737613_100000701028 [0,1,0,1,0,0|1,0,1]=4 5638 B10R1.134 CC(C#N)NC(=O)C1CO1 1626a_100000737613_100000701028 [0,1,0,1,0,0|1,0,1]=4 5639 B10R1.134 CC(C#N)NC(=O)C1CO1 527a_100000737613_100000701028 [0,1,0,1,0,0|1,0,1]=4 5640 B10R1.134 CC(N[C@H](C)CO)C1CO1 270004a_100000737577_100000031964 [0,1,0,1,0,0|1,0,1]=4 5641 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,1,0,1,0,0|2,0,0]=4 5642 B10R1.134 CCC(C)NC(=O)C1CC1 11a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 5643 B10R1.134 CCC(C)NC(=O)C1CC1 1626a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 5644 B10R1.134 CCC(C)NC(=O)C1CC1 240690a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 5645 B10R1.134 CCC(C)NC(=O)C1CC1 527a_100000209981_100000210395 [0,1,0,1,0,0|2,0,0]=4 5646 B10R1.134 CCC(C)NC(=O)C1CO1 11a_100000209981_100000701028 [0,1,0,1,0,0|1,0,0]=3 5647 B10R1.134 CCC(C)NC(=O)C1CO1 1626a_100000209981_100000701028 [0,1,0,1,0,0|1,0,0]=3 5648 B10R1.134 CCC(C)NC(=O)C1CO1 240690a_100000209981_100000701028 [0,1,0,1,0,0|1,0,0]=3 5649 B10R1.134 CCC(C)NC(=O)C1CO1 527a_100000209981_100000701028 [0,1,0,1,0,0|1,0,0]=3 5650 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,1,0,1,0,0|2,0,0]=4 5651 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,1,0,1,0,0|2,0,0]=4 5652 B10R1.134 C[C@@H](CO)CC(=O)C1CC1 1458a_100000210395_100000059175 [0,1,0,1,0,0|2,0,0]=4 5653 B10R1.134 C[C@@H](CO)CC(=O)C1CO1 1458a_100000701028_100000059175 [0,1,0,1,0,0|1,0,0]=3 5654 B10R1.134 C[C@H](CF)NC(=O)C1CC1 11a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 5655 B10R1.134 C[C@H](CF)NC(=O)C1CC1 1626a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 5656 B10R1.134 C[C@H](CF)NC(=O)C1CC1 240690a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 5657 B10R1.134 C[C@H](CF)NC(=O)C1CC1 527a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 5658 B10R1.134 C[C@H](CF)NC(=O)C1CO1 11a_100102880703_100000701028 [0,1,0,1,0,0|1,0,0]=3 5659 B10R1.134 C[C@H](CF)NC(=O)C1CO1 1626a_100102880703_100000701028 [0,1,0,1,0,0|1,0,0]=3 5660 B10R1.134 C[C@H](CF)NC(=O)C1CO1 240690a_100102880703_100000701028 [0,1,0,1,0,0|1,0,0]=3 5661 B10R1.134 C[C@H](CF)NC(=O)C1CO1 527a_100102880703_100000701028 [0,1,0,1,0,0|1,0,0]=3 5662 B10R1.134 C[C@H](CO)NC(=O)C1CC1 240690a_100000737577_100000210395 [0,1,0,1,0,0|1,0,0]=3 5663 B10R1.134 C[C@H](CO)NC(=O)C1CC1 527a_100000737577_100000210395 [0,1,0,1,0,0|1,0,0]=3 5664 B10R1.134 C[C@H](CO)NC(=O)C1CO1 240690a_100000737577_100000701028 [0,1,0,1,0,0|0,0,0]=2 5665 B10R1.134 C[C@H](CO)NC(=O)C1CO1 527a_100000737577_100000701028 [0,1,0,1,0,0|0,0,0]=2 5666 B10R1.203 CC(C)C(=O)CC1(CO1)C 1458a_100000210198_100000760498 [0,1,0,1,0,0|2,0,0]=4 5667 B10R1.203 CC(C)C(=O)NC1(CC1)C 11a_100000757604_100000210198 [0,1,0,1,0,0|2,0,0]=4 5668 B10R1.203 CC(C)C(=O)NC1(CC1)C 1626a_100000757604_100000210198 [0,1,0,1,0,0|2,0,0]=4 5669 B10R1.203 CC(C)C(=O)NC1(CC1)C 240690a_100000757604_100000210198 [0,1,0,1,0,0|2,0,0]=4 5670 B10R1.203 CC(C)C(=O)NC1(CC1)C 527a_100000757604_100000210198 [0,1,0,1,0,0|2,0,0]=4 5671 B10R1.203 CC(F)C(=O)CC1(CO1)C 1458a_100000062450_100000760498 [0,1,0,1,0,0|2,0,0]=4 5672 B10R1.203 CC(F)C(=O)NC1(CC1)C 11a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 5673 B10R1.203 CC(F)C(=O)NC1(CC1)C 1626a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 5674 B10R1.203 CC(F)C(=O)NC1(CC1)C 240690a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 5675 B10R1.203 CC(F)C(=O)NC1(CC1)C 527a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 5676 B10R1.203 CC1(CC1)NC(=O)C(O)O 240690a_100000757604_100000233687 [0,1,0,1,0,0|2,0,0]=4 5677 B10R1.203 CC1(CO1)CC(=O)C(O)O 1458a_100000233687_100000760498 [0,1,0,1,0,0|2,0,0]=4 5678 B10R1.203 C[C@@H](O)C(=O)CC1(CO1)C 1458a_100000717761_100000760498 [0,1,0,1,0,0|1,0,0]=3 5679 B10R1.203 C[C@@H](O)C(=O)NC1(CC1)C 240690a_100000757604_100000717761 [0,1,0,1,0,0|1,0,0]=3 5680 B10R1.203 C[C@H](O)C(=O)CC1(CO1)C 1458a_217856618621_100000760498 [0,1,0,1,0,0|1,0,0]=3 5681 B10R1.203 C[C@H](O)C(=O)NC1(CC1)C 1626a_100000757604_217856618621 [0,1,0,1,0,0|1,0,0]=3 5682 B10R1.203 C[C@H](O)C(=O)NC1(CC1)C 240690a_100000757604_217856618621 [0,1,0,1,0,0|1,0,0]=3 5683 B10R1.204 C=C(C)C(=O)NC1COC1 11a_100016991112_100000185857 [0,1,0,1,0,0|1,0,1]=4 5684 B10R1.204 C=C(C)C(=O)NC1COC1 1626a_100016991112_100000185857 [0,1,0,1,0,0|1,0,1]=4 5685 B10R1.204 CC(C)C(=O)CC1CCO1 1458a_100000210198_100000103362 [0,1,0,1,0,0|2,0,0]=4 5686 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,1,0,1,0,0|2,0,0]=4 5687 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,1,0,1,0,0|2,0,0]=4 5688 B10R1.204 CC(C)C(=O)CN1CCC1 269982a_100000754969_100000753385 [0,1,0,1,0,0|2,0,0]=4 5689 B10R1.204 CC(C)C(=O)NC1CCC1 11a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 5690 B10R1.204 CC(C)C(=O)NC1CCC1 1626a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 5691 B10R1.204 CC(C)C(=O)NC1CCC1 240690a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 5692 B10R1.204 CC(C)C(=O)NC1CCC1 527a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 5693 B10R1.204 CC(C)C(=O)NC1COC1 11a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 5694 B10R1.204 CC(C)C(=O)NC1COC1 1626a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 5695 B10R1.204 CC(C)C(=O)NC1COC1 240690a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 5696 B10R1.204 CC(C)C(=O)NC1COC1 527a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 5697 B10R1.204 CC(C)C(=O)NC1CSC1 11a_100016994217_100000210198 [0,1,0,1,0,0|1,1,0]=4 5698 B10R1.204 CC(C)C(=O)NC1CSC1 1626a_100016994217_100000210198 [0,1,0,1,0,0|1,1,0]=4 5699 B10R1.204 CC(C)C(=O)NC1CSC1 240690a_100016994217_100000210198 [0,1,0,1,0,0|1,1,0]=4 5700 B10R1.204 CC(C)C(=O)NC1CSC1 527a_100016994217_100000210198 [0,1,0,1,0,0|1,1,0]=4 5701 B10R1.204 CC(F)C(=O)CC1CCO1 1458a_100000062450_100000103362 [0,1,0,1,0,0|2,0,0]=4 5702 B10R1.204 CC(F)C(=O)CC1COC1 1458a_100000062450_100010264016 [0,1,0,1,0,0|2,0,0]=4 5703 B10R1.204 CC(F)C(=O)NC1CCC1 11a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 5704 B10R1.204 CC(F)C(=O)NC1CCC1 1626a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 5705 B10R1.204 CC(F)C(=O)NC1CCC1 240690a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 5706 B10R1.204 CC(F)C(=O)NC1CCC1 527a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 5707 B10R1.204 CC(F)C(=O)NC1COC1 11a_100016991112_100000062450 [0,1,0,1,0,0|1,0,0]=3 5708 B10R1.204 CC(F)C(=O)NC1COC1 1626a_100016991112_100000062450 [0,1,0,1,0,0|1,0,0]=3 5709 B10R1.204 CC(F)C(=O)NC1COC1 240690a_100016991112_100000062450 [0,1,0,1,0,0|1,0,0]=3 5710 B10R1.204 CC(F)C(=O)NC1COC1 527a_100016991112_100000062450 [0,1,0,1,0,0|1,0,0]=3 5711 B10R1.204 CC(F)C(=O)NC1CSC1 11a_100016994217_100000062450 [0,1,0,1,0,0|1,1,0]=4 5712 B10R1.204 CC(F)C(=O)NC1CSC1 1626a_100016994217_100000062450 [0,1,0,1,0,0|1,1,0]=4 5713 B10R1.204 CC(F)C(=O)NC1CSC1 240690a_100016994217_100000062450 [0,1,0,1,0,0|1,1,0]=4 5714 B10R1.204 CC(F)C(=O)NC1CSC1 527a_100016994217_100000062450 [0,1,0,1,0,0|1,1,0]=4 5715 B10R1.204 CN(C)C(=O)NC1COC1 2708a_100016991112_100102631434 [0,1,0,1,0,0|2,0,0]=4 5716 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|2,0,0]=4 5717 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,1,0,1,0,0|1,0,0]=3 5718 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|1,0,0]=3 5719 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,1,0,1,0,0|1,0,0]=3 5720 B10R1.204 C[C@@H](O)C(=O)NC1COC1 240690a_100016991112_100000717761 [0,1,0,1,0,0|0,0,0]=2 5721 B10R1.204 C[C@@H](O)C(=O)NC1CSC1 240690a_100016994217_100000717761 [0,1,0,1,0,0|0,1,0]=3 5722 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|2,0,0]=4 5723 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,1,0,1,0,0|1,0,0]=3 5724 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|1,0,0]=3 5725 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,1,0,1,0,0|1,0,0]=3 5726 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,1,0,1,0,0|1,0,0]=3 5727 B10R1.204 C[C@H](O)C(=O)NC1COC1 1626a_100016991112_217856618621 [0,1,0,1,0,0|0,0,0]=2 5728 B10R1.204 C[C@H](O)C(=O)NC1COC1 240690a_100016991112_217856618621 [0,1,0,1,0,0|0,0,0]=2 5729 B10R1.204 C[C@H](O)C(=O)NC1CSC1 1626a_100016994217_217856618621 [0,1,0,1,0,0|0,1,0]=3 5730 B10R1.204 C[C@H](O)C(=O)NC1CSC1 240690a_100016994217_217856618621 [0,1,0,1,0,0|0,1,0]=3 5731 B10R1.204 O=C(CC1CCO1)C(O)O 1458a_100000233687_100000103362 [0,1,0,1,0,0|2,0,0]=4 5732 B10R1.204 O=C(CC1COC1)C(O)O 1458a_100000233687_100010264016 [0,1,0,1,0,0|2,0,0]=4 5733 B10R1.204 O=C(NC1CCC1)C(O)O 240690a_100000749019_100000233687 [0,1,0,1,0,0|2,0,0]=4 5734 B10R1.204 O=C(NC1COC1)C(F)F 11a_100016991112_100000210393 [0,1,0,1,0,0|2,0,0]=4 5735 B10R1.204 O=C(NC1COC1)C(F)F 1626a_100016991112_100000210393 [0,1,0,1,0,0|2,0,0]=4 5736 B10R1.204 O=C(NC1COC1)C(F)F 240690a_100016991112_100000210393 [0,1,0,1,0,0|2,0,0]=4 5737 B10R1.204 O=C(NC1COC1)C(F)F 527a_100016991112_100000210393 [0,1,0,1,0,0|2,0,0]=4 5738 B10R1.204 O=C(NC1COC1)C(O)O 240690a_100016991112_100000233687 [0,1,0,1,0,0|1,0,0]=3 5739 B10R1.204 O=C(NC1CSC1)C(O)O 240690a_100016994217_100000233687 [0,1,0,1,0,0|1,1,0]=4 5740 B10R1.412 CC(CO)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012180447 [0,1,0,1,0,0|1,0,1]=4 5741 B10R1.412 C[C@H](CO)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100016084084 [0,1,0,1,0,0|1,0,1]=4 5742 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 5743 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 5744 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 5745 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 5746 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 5747 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 5748 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 2230a_200015306588_100000211926 [0,1,0,1,0,0|1,0,1]=4 5749 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 269982a_200015306588_100000211926 [0,1,0,1,0,0|1,0,1]=4 5750 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000211926 [0,1,0,1,0,0|1,0,1]=4 5751 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000211926 [0,1,0,1,0,0|1,0,1]=4 5752 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000211926 [0,1,0,1,0,0|0,0,2]=4 5753 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000211926 [0,1,0,1,0,0|0,0,2]=4 5754 B10R1.186 C#CCCCC(=O)C1CO1 1458a_100000701028_100000731252 [0,1,0,1,0,0|2,0,0]=4 5755 B10R1.186 C#CCCNC(=O)C1CC1 11a_100000755551_100000210395 [0,1,0,1,0,0|2,0,0]=4 5756 B10R1.186 C#CCCNC(=O)C1CC1 1626a_100000755551_100000210395 [0,1,0,1,0,0|2,0,0]=4 5757 B10R1.186 C#CCCNC(=O)C1CC1 240690a_100000755551_100000210395 [0,1,0,1,0,0|2,0,0]=4 5758 B10R1.186 C#CCCNC(=O)C1CC1 527a_100000755551_100000210395 [0,1,0,1,0,0|2,0,0]=4 5759 B10R1.186 C#CCCNC(=O)C1CO1 11a_100000755551_100000701028 [0,1,0,1,0,0|1,0,0]=3 5760 B10R1.186 C#CCCNC(=O)C1CO1 1626a_100000755551_100000701028 [0,1,0,1,0,0|1,0,0]=3 5761 B10R1.186 C#CCCNC(=O)C1CO1 240690a_100000755551_100000701028 [0,1,0,1,0,0|1,0,0]=3 5762 B10R1.186 C#CCCNC(=O)C1CO1 527a_100000755551_100000701028 [0,1,0,1,0,0|1,0,0]=3 5763 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,1,0,1,0,0|2,0,0]=4 5764 B10R1.186 C=CCCNC(=O)C1CC1 11a_100015191253_100000210395 [0,1,0,1,0,0|2,0,0]=4 5765 B10R1.186 C=CCCNC(=O)C1CC1 1626a_100015191253_100000210395 [0,1,0,1,0,0|2,0,0]=4 5766 B10R1.186 C=CCCNC(=O)C1CC1 240690a_100015191253_100000210395 [0,1,0,1,0,0|2,0,0]=4 5767 B10R1.186 C=CCCNC(=O)C1CC1 527a_100015191253_100000210395 [0,1,0,1,0,0|2,0,0]=4 5768 B10R1.186 C=CCCNC(=O)C1CO1 11a_100015191253_100000701028 [0,1,0,1,0,0|1,0,0]=3 5769 B10R1.186 C=CCCNC(=O)C1CO1 1626a_100015191253_100000701028 [0,1,0,1,0,0|1,0,0]=3 5770 B10R1.186 C=CCCNC(=O)C1CO1 240690a_100015191253_100000701028 [0,1,0,1,0,0|1,0,0]=3 5771 B10R1.186 C=CCCNC(=O)C1CO1 527a_100015191253_100000701028 [0,1,0,1,0,0|1,0,0]=3 5772 B10R1.186 C=CCNNC(=O)C1CO1 22a_100020588587_100000701028 [0,1,0,1,0,0|1,0,1]=4 5773 B10R1.186 CC#CCNC(=O)C1CO1 11a_100000685387_100000701028 [0,1,0,1,0,0|1,0,1]=4 5774 B10R1.186 CC#CCNC(=O)C1CO1 1626a_100000685387_100000701028 [0,1,0,1,0,0|1,0,1]=4 5775 B10R1.186 CC#CCNC(=O)C1CO1 527a_100000685387_100000701028 [0,1,0,1,0,0|1,0,1]=4 5776 B10R1.186 CC(=NNCCO)C1CC1 4a_100000210001_100000210639 [0,1,0,1,0,0|2,0,0]=4 5777 B10R1.186 CC(=NNCCO)C1CO1 4a_100000210001_100000031964 [0,1,0,1,0,0|1,0,0]=3 5778 B10R1.186 CC(NCCCO)C1CO1 270004a_100000182051_100000031964 [0,1,0,1,0,0|1,0,1]=4 5779 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|2,0,0]=4 5780 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 5781 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 5782 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 5783 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 5784 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 5785 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 5786 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 5787 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 5788 B10R1.186 CCCNN=C(C)C1CO1 4a_100000740057_100000031964 [0,1,0,1,0,0|2,0,0]=4 5789 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [0,1,0,1,0,0|2,0,0]=4 5790 B10R1.186 CCCNNC(=O)C1CO1 22a_100000740057_100000701028 [0,1,0,1,0,0|1,0,0]=3 5791 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|2,0,0]=4 5792 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|2,0,0]=4 5793 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|2,0,0]=4 5794 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,0]=3 5795 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 5796 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 5797 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 5798 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,1,0,1,0,0|0,0,0]=2 5799 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,1,0,1,0,0|0,0,0]=2 5800 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,1,0,1,0,0|0,0,0]=2 5801 B10R1.186 COCCNC(C)C1CO1 270004a_100000209980_100000031964 [0,1,0,1,0,0|1,0,1]=4 5802 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,1,0,1,0,0|1,1,0]=4 5803 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,1,0,1,0,0|1,1,0]=4 5804 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,1,0,1,0,0|1,1,0]=4 5805 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,1,0,1,0,0|1,1,0]=4 5806 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|0,1,0]=3 5807 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|0,1,0]=3 5808 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|0,1,0]=3 5809 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|0,1,0]=3 5810 B10R1.186 N#CCCCC(=O)C1CO1 1458a_100000701028_100000211468 [0,1,0,1,0,0|2,0,0]=4 5811 B10R1.186 N#CCCNC(=O)C1CC1 11a_100000720768_100000210395 [0,1,0,1,0,0|2,0,0]=4 5812 B10R1.186 N#CCCNC(=O)C1CC1 1626a_100000720768_100000210395 [0,1,0,1,0,0|2,0,0]=4 5813 B10R1.186 N#CCCNC(=O)C1CC1 240690a_100000720768_100000210395 [0,1,0,1,0,0|2,0,0]=4 5814 B10R1.186 N#CCCNC(=O)C1CC1 527a_100000720768_100000210395 [0,1,0,1,0,0|2,0,0]=4 5815 B10R1.186 N#CCCNC(=O)C1CO1 11a_100000720768_100000701028 [0,1,0,1,0,0|1,0,0]=3 5816 B10R1.186 N#CCCNC(=O)C1CO1 1626a_100000720768_100000701028 [0,1,0,1,0,0|1,0,0]=3 5817 B10R1.186 N#CCCNC(=O)C1CO1 240690a_100000720768_100000701028 [0,1,0,1,0,0|1,0,0]=3 5818 B10R1.186 N#CCCNC(=O)C1CO1 527a_100000720768_100000701028 [0,1,0,1,0,0|1,0,0]=3 5819 B10R1.186 O=C(CC#CCO)C1CO1 1458a_100000701028_200000047223 [0,1,0,1,0,0|1,0,1]=4 5820 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|2,0,0]=4 5821 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|2,0,0]=4 5822 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,0]=3 5823 B10R1.186 O=C(CNCCF)C1CC1 34a_100000724931_100000746382 [0,1,0,1,0,0|2,0,0]=4 5824 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [0,1,0,1,0,0|1,0,0]=3 5825 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [0,1,0,1,0,0|1,0,0]=3 5826 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [0,1,0,1,0,0|2,0,0]=4 5827 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [0,1,0,1,0,0|2,0,0]=4 5828 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [0,1,0,1,0,0|2,0,0]=4 5829 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 5830 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 5831 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 5832 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 5833 B10R1.186 O=C(NCCCF)C1CO1 11a_100015189416_100000701028 [0,1,0,1,0,0|1,0,0]=3 5834 B10R1.186 O=C(NCCCF)C1CO1 1626a_100015189416_100000701028 [0,1,0,1,0,0|1,0,0]=3 5835 B10R1.186 O=C(NCCCF)C1CO1 240690a_100015189416_100000701028 [0,1,0,1,0,0|1,0,0]=3 5836 B10R1.186 O=C(NCCCF)C1CO1 527a_100015189416_100000701028 [0,1,0,1,0,0|1,0,0]=3 5837 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,1,0,1,0,0|1,0,0]=3 5838 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,1,0,1,0,0|1,0,0]=3 5839 B10R1.186 O=C(NCCCO)C1CO1 240690a_100000182051_100000701028 [0,1,0,1,0,0|0,0,0]=2 5840 B10R1.186 O=C(NCCCO)C1CO1 527a_100000182051_100000701028 [0,1,0,1,0,0|0,0,0]=2 5841 B10R1.186 O=C(NNCCO)C1CC1 22a_100000210001_100000210395 [0,1,0,1,0,0|1,0,0]=3 5842 B10R1.186 O=C(NNCCO)C1CO1 22a_100000210001_100000701028 [0,1,0,1,0,0|0,0,0]=2 5843 B10R1.265 O=S(=O)(NCCO)C1CC1 270084a_100000210304_100000750908 [0,1,0,1,0,0|2,0,0]=4 5844 B10R1.265 O=S(=O)(NCCO)C1CC1 274078a_100000210304_100000750908 [0,1,0,1,0,0|2,0,0]=4 5845 B10R2.406 O=C(C1CC1)N2CCC2 11a_100000754969_100000210395 [0,0,0,2,0,0|2,0,0]=4 5846 B10R2.406 O=C(C1CC1)N2CCC2 240690a_100000754969_100000210395 [0,0,0,2,0,0|2,0,0]=4 5847 B10R2.406 O=C(C1CC1)N2CCC2 527a_100000754969_100000210395 [0,0,0,2,0,0|2,0,0]=4 5848 B10R2.406 O=C(C1CCC1)C2CO2 1458a_100000701028_100000749161 [0,0,0,2,0,0|2,0,0]=4 5849 B10R2.406 O=C(C1CO1)N2CCC2 11a_100000754969_100000701028 [0,0,0,2,0,0|1,0,0]=3 5850 B10R2.406 O=C(C1CO1)N2CCC2 240690a_100000754969_100000701028 [0,0,0,2,0,0|1,0,0]=3 5851 B10R2.406 O=C(C1CO1)N2CCC2 527a_100000754969_100000701028 [0,0,0,2,0,0|1,0,0]=3 5852 B10R2.485 O=C(CC1CC1)C2CO2 1458a_100000701028_100000742324 [0,0,0,2,0,0|2,0,0]=4 5853 B10R2.485 O=C(CC1CO1)C2CC2 1458a_100000210395_100011216344 [0,0,0,2,0,0|2,0,0]=4 5854 B10R2.485 O=C(CC1CO1)C2CO2 1458a_100000701028_100011216344 [0,0,0,2,0,0|1,0,0]=3 5855 B10R2.485 O=C(CC1CS1)C2CO2 1458a_100000701028_100000031435 [0,0,0,2,0,0|1,1,0]=4 5856 B10R2.485 O=C(C[C@@H]1CO1)C2CC2 1458a_100000210395_100000745022 [0,0,0,2,0,0|2,0,0]=4 5857 B10R2.485 O=C(C[C@@H]1CO1)C2CO2 1458a_100000701028_100000745022 [0,0,0,2,0,0|1,0,0]=3 5858 B10R2.485 O=C(NC1CC1)C2CC2 1626a_100000212008_100000210395 [0,0,0,2,0,0|2,0,0]=4 5859 B10R2.485 O=C(NC1CC1)C2CC2 240690a_100000212008_100000210395 [0,0,0,2,0,0|2,0,0]=4 5860 B10R2.485 O=C(NC1CC1)C2CC2 527a_100000212008_100000210395 [0,0,0,2,0,0|2,0,0]=4 5861 B10R2.485 O=C(NC1CC1)C2CO2 1626a_100000212008_100000701028 [0,0,0,2,0,0|1,0,0]=3 5862 B10R2.485 O=C(NC1CC1)C2CO2 240690a_100000212008_100000701028 [0,0,0,2,0,0|1,0,0]=3 5863 B10R2.485 O=C(NC1CC1)C2CO2 527a_100000212008_100000701028 [0,0,0,2,0,0|1,0,0]=3 5864 B10R0.78 C#CCNC(=O)CCC(C)O 1626a_100000212058_100000718519 [0,0,0,0,0,2|1,0,1]=4 5865 B10R0.78 C#CCNC(=O)NCC(C)O 2708a_100000212058_100000210904 [0,0,0,0,0,2|1,0,1]=4 5866 B10R0.78 C#CCNC(=O)NCC(C)O 273464a_100000210904_100000212058 [0,0,0,0,0,2|1,0,1]=4 5867 B10R0.78 C#CCNC(=O)NCC(C)O 273464a_100000212058_100000210904 [0,0,0,0,0,2|1,0,1]=4 5868 B10R0.78 C#CCNC(=O)NCC(C)O 512a_100000210904_100000212058 [0,0,0,0,0,2|1,0,1]=4 5869 B10R0.78 C#CCNC(=O)NCC(C)O 512a_100000212058_100000210904 [0,0,0,0,0,2|1,0,1]=4 5870 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,0,0,0,0,2|1,0,1]=4 5871 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,0,0,0,0,2|1,0,1]=4 5872 B10R0.78 C=C(C)CNC(=O)NCCO 2708a_100000765925_100000210304 [0,0,0,0,0,2|1,0,1]=4 5873 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000210304_100000765925 [0,0,0,0,0,2|1,0,1]=4 5874 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000765925_100000210304 [0,0,0,0,0,2|1,0,1]=4 5875 B10R0.78 C=C(C)CNC(=O)NCCO 512a_100000765925_100000210304 [0,0,0,0,0,2|1,0,1]=4 5876 B10R0.78 C=CCNC(=O)CCC(C)O 1626a_100020586998_100000718519 [0,0,0,0,0,2|1,0,1]=4 5877 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100000210904_100020586998 [0,0,0,0,0,2|1,0,1]=4 5878 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100020586998_100000210904 [0,0,0,0,0,2|1,0,1]=4 5879 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100000210904_100020586998 [0,0,0,0,0,2|1,0,1]=4 5880 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100020586998_100000210904 [0,0,0,0,0,2|1,0,1]=4 5881 B10R0.78 CC(=CCC(=O)NCCO)C 240690a_100000210304_100011220947 [0,0,0,0,0,2|1,0,1]=4 5882 B10R0.78 CC(=CCC(=O)NCCO)C 527a_100000210304_100011220947 [0,0,0,0,0,2|1,0,1]=4 5883 B10R0.78 CC(=O)NCC(=O)NCCO 240690a_100000210304_100000194580 [0,0,0,0,0,2|0,0,2]=4 5884 B10R0.78 CC(=O)NCC(=O)NCCO 527a_100000210304_100000194580 [0,0,0,0,0,2|0,0,2]=4 5885 B10R0.78 CC(=O)NNC(=O)NCCO 273464a_100000210304_100000189765 [0,0,0,0,0,2|0,0,2]=4 5886 B10R0.78 CC(=O)NNC(=O)NCCO 512a_100000189765_100000210304 [0,0,0,0,0,2|0,0,2]=4 5887 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [0,0,0,0,0,2|0,0,2]=4 5888 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [0,0,0,0,0,2|0,0,2]=4 5889 B10R0.78 CC(=O)SCC(=O)NCCO 240690a_100000210304_100000049016 [0,0,0,0,0,2|0,0,2]=4 5890 B10R0.78 CC(C)C=CC(=O)CCCO 1458a_100016268746_100011215043 [0,0,0,0,0,2|2,0,0]=4 5891 B10R0.78 CC(C)C=CC(=O)NCCF 11a_100000724931_100016268746 [0,0,0,0,0,2|2,0,0]=4 5892 B10R0.78 CC(C)C=CC(=O)NCCF 1626a_100000724931_100016268746 [0,0,0,0,0,2|2,0,0]=4 5893 B10R0.78 CC(C)C=CC(=O)NCCF 240690a_100000724931_100016268746 [0,0,0,0,0,2|2,0,0]=4 5894 B10R0.78 CC(C)C=CC(=O)NCCO 240690a_100000210304_100016268746 [0,0,0,0,0,2|1,0,0]=3 5895 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,0,0,0,0,2|2,0,0]=4 5896 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 5897 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 5898 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 5899 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 5900 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,0,0,0,0,2|1,0,0]=3 5901 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,0,0,0,0,2|1,0,0]=3 5902 B10R0.78 CC(C)CNC(=O)NCCF 2708a_100000210953_100000724931 [0,0,0,0,0,2|2,0,0]=4 5903 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000210953_100000724931 [0,0,0,0,0,2|2,0,0]=4 5904 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000724931_100000210953 [0,0,0,0,0,2|2,0,0]=4 5905 B10R0.78 CC(C)CNC(=O)NCCF 512a_100000210953_100000724931 [0,0,0,0,0,2|2,0,0]=4 5906 B10R0.78 CC(C)CNC(=O)NCCO 2708a_100000210953_100000210304 [0,0,0,0,0,2|1,0,0]=3 5907 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210304_100000210953 [0,0,0,0,0,2|1,0,0]=3 5908 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210953_100000210304 [0,0,0,0,0,2|1,0,0]=3 5909 B10R0.78 CC(C)CNC(=O)NCCO 512a_100000210953_100000210304 [0,0,0,0,0,2|1,0,0]=3 5910 B10R0.78 CC(C)NCC(=O)NCCF 2230a_100000725713_100000210206 [0,0,0,0,0,2|2,0,0]=4 5911 B10R0.78 CC(C)NNC(=O)NCCF 273464a_100000724931_100000741168 [0,0,0,0,0,2|2,0,0]=4 5912 B10R0.78 CC(C)NNC(=O)NCCF 512a_100000741168_100000724931 [0,0,0,0,0,2|2,0,0]=4 5913 B10R0.78 CC(C)NNC(=O)NCCO 273464a_100000210304_100000741168 [0,0,0,0,0,2|1,0,0]=3 5914 B10R0.78 CC(C)NNC(=O)NCCO 512a_100000741168_100000210304 [0,0,0,0,0,2|1,0,0]=3 5915 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,0,0,0,0,2|2,0,0]=4 5916 B10R0.78 CC(C)OCC(=O)NCCF 11a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 5917 B10R0.78 CC(C)OCC(=O)NCCF 1626a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 5918 B10R0.78 CC(C)OCC(=O)NCCF 240690a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 5919 B10R0.78 CC(C)OCC(=O)NCCF 527a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 5920 B10R0.78 CC(C)OCC(=O)NCCO 240690a_100000210304_100000745533 [0,0,0,0,0,2|1,0,0]=3 5921 B10R0.78 CC(C)OCC(=O)NCCO 527a_100000210304_100000745533 [0,0,0,0,0,2|1,0,0]=3 5922 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [0,0,0,0,0,2|2,0,0]=4 5923 B10R0.78 CC(C)SCC(=O)NCCF 11a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 5924 B10R0.78 CC(C)SCC(=O)NCCF 1626a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 5925 B10R0.78 CC(C)SCC(=O)NCCF 240690a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 5926 B10R0.78 CC(C)SCC(=O)NCCF 527a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 5927 B10R0.78 CC(C)SCC(=O)NCCO 240690a_100000210304_100000241585 [0,0,0,0,0,2|1,0,0]=3 5928 B10R0.78 CC(C)SCC(=O)NCCO 527a_100000210304_100000241585 [0,0,0,0,0,2|1,0,0]=3 5929 B10R0.78 CC(O)CCC(=O)C#CCO 1458a_100000049017_100012276601 [0,0,0,0,0,2|1,0,1]=4 5930 B10R0.78 CC(O)CCC(=O)NCC#N 1626a_100000734998_100000718519 [0,0,0,0,0,2|1,0,1]=4 5931 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,0,0,0,0,2|1,0,0]=3 5932 B10R0.78 CC(O)CNC(=O)NCC#N 2708a_100000734998_100000210904 [0,0,0,0,0,2|1,0,1]=4 5933 B10R0.78 CC(O)CNC(=O)NCC#N 273464a_100000210904_100000734998 [0,0,0,0,0,2|1,0,1]=4 5934 B10R0.78 CC(O)CNC(=O)NCC#N 273464a_100000734998_100000210904 [0,0,0,0,0,2|1,0,1]=4 5935 B10R0.78 CC(O)CNC(=O)NCC#N 512a_100000210904_100000734998 [0,0,0,0,0,2|1,0,1]=4 5936 B10R0.78 CC(O)CNC(=O)NCC#N 512a_100000734998_100000210904 [0,0,0,0,0,2|1,0,1]=4 5937 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000210904_100000724931 [0,0,0,0,0,2|1,0,0]=3 5938 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000724931_100000210904 [0,0,0,0,0,2|1,0,0]=3 5939 B10R0.78 CC(O)CNC(=O)NCCF 512a_100000210904_100000724931 [0,0,0,0,0,2|1,0,0]=3 5940 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210304_100000210904 [0,0,0,0,0,2|0,0,0]=2 5941 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210904_100000210304 [0,0,0,0,0,2|0,0,0]=2 5942 B10R0.78 CC(O)CNC(=O)NCCO 512a_100000210904_100000210304 [0,0,0,0,0,2|0,0,0]=2 5943 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,0,0,0,0,2|2,0,0]=4 5944 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,0,0,0,0,2|2,0,0]=4 5945 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,0,0,0,0,2|2,0,0]=4 5946 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,0,0,0,0,2|2,0,0]=4 5947 B10R0.78 CCCNC(=O)C=CC(C)C 11a_100020643023_100016268746 [0,0,0,0,0,2|2,0,0]=4 5948 B10R0.78 CCCNC(=O)C=CC(C)C 1626a_100020643023_100016268746 [0,0,0,0,0,2|2,0,0]=4 5949 B10R0.78 CCCNC(=O)C=CC(C)C 240690a_100020643023_100016268746 [0,0,0,0,0,2|2,0,0]=4 5950 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,0,0,0,0,2|2,0,0]=4 5951 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,0,0,0,0,2|2,0,0]=4 5952 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,0,0,0,0,2|2,0,0]=4 5953 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,0,0,0,0,2|2,0,0]=4 5954 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,0,0,0,0,2|1,0,0]=3 5955 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100000174927_100000210206 [0,0,0,0,0,2|2,0,0]=4 5956 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100138425928_100000183358 [0,0,0,0,0,2|2,0,0]=4 5957 B10R0.78 CCCNC(=O)CNC(C)C 34a_100138425928_100000183358 [0,0,0,0,0,2|2,0,0]=4 5958 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,0,0,0,0,2|2,0,0]=4 5959 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,0,0,0,0,2|2,0,0]=4 5960 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,0,0,0,0,2|2,0,0]=4 5961 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,0,0,0,0,2|2,0,0]=4 5962 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,0,0,0,0,2|2,0,0]=4 5963 B10R0.78 CCCNC(=O)CSC(C)C 11a_100020643023_100000241585 [0,0,0,0,0,2|2,0,0]=4 5964 B10R0.78 CCCNC(=O)CSC(C)C 1626a_100020643023_100000241585 [0,0,0,0,0,2|2,0,0]=4 5965 B10R0.78 CCCNC(=O)CSC(C)C 240690a_100020643023_100000241585 [0,0,0,0,0,2|2,0,0]=4 5966 B10R0.78 CCCNC(=O)CSC(C)C 527a_100020643023_100000241585 [0,0,0,0,0,2|2,0,0]=4 5967 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000183358_100000210206 [0,0,0,0,0,2|2,0,0]=4 5968 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000210206_100000183358 [0,0,0,0,0,2|2,0,0]=4 5969 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [0,0,0,0,0,2|2,0,0]=4 5970 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [0,0,0,0,0,2|2,0,0]=4 5971 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [0,0,0,0,0,2|2,0,0]=4 5972 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [0,0,0,0,0,2|2,0,0]=4 5973 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [0,0,0,0,0,2|2,0,0]=4 5974 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [0,0,0,0,0,2|2,0,0]=4 5975 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,0,0,0,0,2|1,0,0]=3 5976 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,0,0,0,0,2|1,0,0]=3 5977 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,0,0,0,0,2|1,0,0]=3 5978 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,0,0,0,0,2|1,0,0]=3 5979 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,0,0,0,0,2|1,0,0]=3 5980 B10R0.78 CCCNC(=O)NNC(C)C 273464a_100020643023_100000741168 [0,0,0,0,0,2|2,0,0]=4 5981 B10R0.78 CCCNC(=O)NNC(C)C 512a_100000741168_100020643023 [0,0,0,0,0,2|2,0,0]=4 5982 B10R0.78 CCCNC(=O)NNC(C)C 512a_100020643023_100000741168 [0,0,0,0,0,2|2,0,0]=4 5983 B10R0.78 CCNNC(=O)NCC(C)O 273464a_100000210904_100000756455 [0,0,0,0,0,2|2,0,0]=4 5984 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000210904_100000756455 [0,0,0,0,0,2|2,0,0]=4 5985 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000756455_100000210904 [0,0,0,0,0,2|2,0,0]=4 5986 B10R0.78 CN(C)CCC(=O)NCCO 240690a_100000210304_100000689311 [0,0,0,0,0,2|2,0,0]=4 5987 B10R0.78 CN(C)CCC(=O)NCCO 527a_100000210304_100000689311 [0,0,0,0,0,2|2,0,0]=4 5988 B10R0.78 C[S+](C)CCC(=O)NCCO 240690a_100000210304_100009452791 [0,0,0,0,0,2|2,0,0]=4 5989 B10R0.78 O=C(COC(F)F)NCCO 240690a_100000210304_200000719455 [0,0,0,0,0,2|2,0,0]=4 5990 B10R0.78 O=C(COC(F)F)NCCO 527a_100000210304_200000719455 [0,0,0,0,0,2|2,0,0]=4 5991 B10R0.78 O=C(CSC(F)F)NCCO 240690a_100000210304_114828291038 [0,0,0,0,0,2|2,0,0]=4 5992 B10R0.78 O=C(CSC(F)F)NCCO 527a_100000210304_114828291038 [0,0,0,0,0,2|2,0,0]=4 5993 B10R0.78 O=C(NCCO)NCC(F)F 273464a_100000210304_100000765723 [0,0,0,0,0,2|2,0,0]=4 5994 B10R0.78 O=C(NCCO)NCC(F)F 273464a_100000765723_100000210304 [0,0,0,0,0,2|2,0,0]=4 5995 B10R0.78 O=C(NCCO)NCC(F)F 512a_100000765723_100000210304 [0,0,0,0,0,2|2,0,0]=4