0 B12R0.337 C#CCC(=O)C(CCCC)C(=O)N 1458a_100011220946_100000748834 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.337 C#CCNC(C(=O)C)C(=O)OCC 34a_100000212058_100009831564 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.337 C#CCOC(C(=O)C)C(=O)OCC 34a_100000210247_100009831564 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.337 C#CCSC(C(=O)C)C(=O)OCC 62a_100000038162_100000211040 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.337 C=CCC(=O)C(CCCC)C(=O)N 1458a_100000210193_100000748834 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.337 C=CCOC(C(=O)C)C(=O)OCC 34a_200000210373_100009831564 [0,0,0,0,0,0|1,0,2]=3 6 B12R0.337 C=CCSC(C(=O)C)C(=O)OCC 62a_100000210623_100000211040 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.337 C=CCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000210623 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.337 CC#CC(=O)C(CCCC)C(=O)N 1458a_100000763181_100000748834 [0,0,0,0,0,0|2,0,1]=3 9 B12R0.337 CC=CC(=O)C(CCCC)C(=O)N 1458a_100000210699_100000748834 [0,0,0,0,0,0|2,0,1]=3 10 B12R0.337 CCCCC(C(=O)C)C(=O)OCC 1458a_100000070787_200009813700 [0,0,0,0,0,0|0,0,0]=0 11 B12R0.337 CCCCC(C(=O)N)C(=O)C=CBr 1458a_100016273825_100000748834 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.337 CCCCC(C(=O)N)C(=O)C=CCl 1458a_200016279998_100000748834 [0,0,0,0,0,0|3,0,1]=4 13 B12R0.337 CCCCC(C(=O)N)C(=O)C=CI 1458a_100016256311_100000748834 [0,0,0,0,0,0|3,0,1]=4 14 B12R0.337 CCCCC(C(=O)N)C(=O)CC#N 1458a_100051588842_100000748834 [0,0,0,0,0,0|3,0,1]=4 15 B12R0.337 CCCCC(C(=O)N)C(=O)CCC 1458a_100000211992_100000748834 [0,0,0,0,0,0|2,0,0]=2 16 B12R0.337 CCCCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000748834 [0,0,0,0,0,0|3,0,0]=3 17 B12R0.337 CCCCC(C(=O)N)C(=O)COC 1458a_100000210968_100000748834 [0,0,0,0,0,0|3,0,0]=3 18 B12R0.337 CCCCC(C(=O)N)C(=O)CSC 1458a_100000184570_100000748834 [0,0,0,0,0,0|3,0,0]=3 19 B12R0.337 CCCCC(C(=O)N)N(C)CCC 2230a_100000747261_100000748834 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.337 CCCCC(C(=O)N)N(C)CCC 269982a_100000747261_100000748834 [0,0,0,0,0,0|4,0,0]=4 21 B12R0.337 CCCCC(C(=O)OCC)N(C)C 2230a_100102631434_200009813700 [0,0,0,0,0,0|2,0,0]=2 22 B12R0.337 CCCCC(C(=O)OCC)N(C)C 269982a_100102631434_200009813700 [0,0,0,0,0,0|2,0,0]=2 23 B12R0.337 CCCCN(C(=O)CCC)C(C)C 11a_100000207398_100000211992 [0,0,0,0,0,0|3,0,1]=4 24 B12R0.337 CCCCN(C(=O)CCC)C(C)C 1626a_100000207398_100000211992 [0,0,0,0,0,0|3,0,1]=4 25 B12R0.337 CCCCN(C(=O)CCC)C(C)C 240690a_100000207398_100000211992 [0,0,0,0,0,0|3,0,1]=4 26 B12R0.337 CCCCN(C(=O)CCC)C(C)C 527a_100000207398_100000211992 [0,0,0,0,0,0|3,0,1]=4 27 B12R0.337 CCCCN(C(=O)NCC)C(C)C 2708a_100015525214_100000207398 [0,0,0,0,0,0|3,0,1]=4 28 B12R0.337 CCCCN(C(=O)NCC)C(C)C 273464a_100015525214_100000207398 [0,0,0,0,0,0|3,0,1]=4 29 B12R0.337 CCCOC(C(=O)C)C(=O)OCC 34a_100000210258_100009831564 [0,0,0,0,0,0|1,0,0]=1 30 B12R0.337 CCCOC(C(=O)OCC)C(C)C 34a_100000210258_100000740032 [0,0,0,0,0,0|2,0,1]=3 31 B12R0.337 CCCSC(C(=O)C)C(=O)OCC 62a_100000210303_100000211040 [0,0,0,0,0,0|1,0,0]=1 32 B12R0.337 CCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000210303 [0,0,0,0,0,0|1,0,0]=1 33 B12R0.337 CCCSC(C(=O)OCC)C(C)C 62a_100000210303_100000740032 [0,0,0,0,0,0|2,0,1]=3 34 B12R0.337 CCCSC(C(=O)OCC)C(C)C 62a_100000740032_100000210303 [0,0,0,0,0,0|2,0,1]=3 35 B12R0.337 CCOC(=O)C(NCCF)C(=O)C 34a_100000724931_100009831564 [0,0,0,0,0,0|2,0,0]=2 36 B12R0.337 CCOC(=O)C(NCCF)C(C)C 34a_100000724931_100000740032 [0,0,0,0,0,0|3,0,1]=4 37 B12R0.337 CCOC(=O)C(NCCO)C(=O)C 34a_100016990907_100009831564 [0,0,0,0,0,0|2,0,0]=2 38 B12R0.337 CCOC(=O)C(NCCO)C(C)C 34a_100016990907_100000740032 [0,0,0,0,0,0|3,0,1]=4 39 B12R0.337 CCOC(=O)C(OCCBr)C(=O)C 34a_100000211926_100009831564 [0,0,0,0,0,0|2,0,0]=2 40 B12R0.337 CCOC(=O)C(OCCBr)C(C)C 34a_100000211926_100000740032 [0,0,0,0,0,0|3,0,1]=4 41 B12R0.337 CCOC(=O)C(OCCN)C(=O)C 34a_100000210304_100009831564 [0,0,0,0,0,0|2,0,0]=2 42 B12R0.337 CCOC(=O)C(OCCN)C(C)C 34a_100000210304_100000740032 [0,0,0,0,0,0|3,0,1]=4 43 B12R0.337 CCOC(=O)C(SCC#N)C(=O)C 62a_100000211040_100011215382 [0,0,0,0,0,0|2,0,1]=3 44 B12R0.337 CCOC(=O)C(SCC#N)C(=O)C 62a_100011215382_100000211040 [0,0,0,0,0,0|2,0,1]=3 45 B12R0.337 CCOC(=O)C(SCC=O)C(=O)C 62a_100000211040_200015260668 [0,0,0,0,0,0|2,0,1]=3 46 B12R0.337 CCOC(=O)C(SCC=O)C(=O)C 62a_200015260668_100000211040 [0,0,0,0,0,0|2,0,1]=3 47 B12R0.337 CCOC(=O)C(SCCF)C(=O)C 62a_100000211040_100011217306 [0,0,0,0,0,0|2,0,0]=2 48 B12R0.337 CCOC(=O)C(SCCF)C(=O)C 62a_100011217306_100000211040 [0,0,0,0,0,0|2,0,0]=2 49 B12R0.337 CCOC(=O)C(SCCF)C(C)C 62a_100000740032_100011217306 [0,0,0,0,0,0|3,0,1]=4 50 B12R0.337 CCOC(=O)C(SCCF)C(C)C 62a_100011217306_100000740032 [0,0,0,0,0,0|3,0,1]=4 51 B12R0.337 CCOC(=O)C(SCCO)C(=O)C 62a_100000211040_100000211926 [0,0,0,0,0,0|2,0,0]=2 52 B12R0.337 CCOC(=O)C(SCCO)C(=O)C 62a_100000211926_100000211040 [0,0,0,0,0,0|2,0,0]=2 53 B12R0.337 CCOC(=O)C(SCCO)C(C)C 62a_100000211926_100000740032 [0,0,0,0,0,0|3,0,1]=4 54 B12R0.337 CCOC(=O)C(SCCO)C(C)C 62a_100000740032_100000211926 [0,0,0,0,0,0|3,0,1]=4 55 B12R0.337 CCOC(=O)C(SCOC)C(=O)C 62a_100000211040_100000766300 [0,0,0,0,0,0|2,0,0]=2 56 B12R0.337 CCOC(=O)C(SCOC)C(=O)C 62a_100000766300_100000211040 [0,0,0,0,0,0|2,0,0]=2 57 B12R0.337 CCOC(=O)C(SCOC)C(C)C 62a_100000740032_100000766300 [0,0,0,0,0,0|3,0,1]=4 58 B12R0.337 CCOC(=O)C(SCOC)C(C)C 62a_100000766300_100000740032 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.337 CCOC(=O)C(SCSC)C(=O)C 62a_100000211040_100011218213 [0,0,0,0,0,0|2,0,0]=2 60 B12R0.337 CCOC(=O)C(SCSC)C(=O)C 62a_100011218213_100000211040 [0,0,0,0,0,0|2,0,0]=2 61 B12R0.337 CCOC(=O)C(SCSC)C(C)C 62a_100000740032_100011218213 [0,0,0,0,0,0|3,0,1]=4 62 B12R0.337 CCOC(=O)C(SCSC)C(C)C 62a_100011218213_100000740032 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.36 CCCCC(CCCC)C(=O)C 1458a_100000078208_200000210301 [1,0,0,0,0,0|1,0,1]=3 64 B11R0.36 CCCCC(CCCC)C(=O)[13CH3] 1458a_100000078208_200025704644 [1,0,0,0,0,0|1,0,1]=3 65 B11R0.36 CCCCC(OCCC)C(=O)N 34a_100000210258_100000748834 [1,0,0,0,0,0|3,0,0]=4 66 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000210303_100000748834 [1,0,0,0,0,0|3,0,0]=4 67 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000748834_100000210303 [1,0,0,0,0,0|3,0,0]=4 68 B11R0.36 CCCCN(CCCC)C(=O)C 11a_100000684618_100015343762 [1,0,0,0,0,0|2,0,1]=4 69 B11R0.36 CCCCN(CCCC)C(=O)C 1626a_100000684618_100015343762 [1,0,0,0,0,0|2,0,1]=4 70 B11R0.36 CCCCN(CCCC)C(=O)C 240690a_100000684618_100015343762 [1,0,0,0,0,0|2,0,1]=4 71 B11R0.36 CCCCN(CCCC)C(=O)C 527a_100000684618_100103153847 [1,0,0,0,0,0|2,0,1]=4 72 B11R0.36 CCCC[C@H](NCCC)C(=O)N 2230a_100000124899_100000210303 [1,0,0,0,0,0|3,0,0]=4 73 B11R0.36 CCCC[C@H](NCCC)C(=O)N 34a_100000124899_100000210303 [1,0,0,0,0,0|3,0,0]=4 74 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [1,0,0,0,0,0|0,0,0]=1 75 B11R0.57 CCCC(C(=O)OCC)N(C)C 2230a_100102631434_100000695697 [1,0,0,0,0,0|2,0,0]=3 76 B11R0.57 CCCC(C(=O)OCC)N(C)C 269982a_100102631434_100000695697 [1,0,0,0,0,0|2,0,0]=3 77 B11R0.57 CCOC(=O)C(OCC)C(=O)C 34a_100121572206_100009831564 [1,0,0,0,0,0|1,0,0]=2 78 B11R0.57 CCOC(=O)C(OCC)C(C)C 34a_100121572206_100000740032 [1,0,0,0,0,0|2,0,1]=4 79 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000210202_100000211040 [1,0,0,0,0,0|1,0,0]=2 80 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000211040_100000210202 [1,0,0,0,0,0|1,0,0]=2 81 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000210202_100000740032 [1,0,0,0,0,0|2,0,1]=4 82 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000740032_100000210202 [1,0,0,0,0,0|2,0,1]=4 83 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100000211040_100015361967 [1,0,0,0,0,0|2,0,0]=3 84 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100015361967_100000211040 [1,0,0,0,0,0|2,0,0]=3 85 B11R0.167 C#CC(=O)C(CCCC)C(=O)N 1458a_100000211873_100000748834 [1,0,0,0,0,0|1,0,2]=4 86 B11R0.167 C#CCSC(C(=O)C)C(=O)OC 62a_100000038162_100011215331 [1,0,0,0,0,0|1,0,2]=4 87 B11R0.167 C=CC(=O)C(CCCC)C(=O)N 1458a_100000185746_100000748834 [1,0,0,0,0,0|1,0,2]=4 88 B11R0.167 C=CCSC(C(=O)C)C(=O)OC 62a_100000210623_100011215331 [1,0,0,0,0,0|1,0,2]=4 89 B11R0.167 C=CCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210623 [1,0,0,0,0,0|1,0,2]=4 90 B11R0.167 CCCCC(C(=O)C)C(=O)OC 1458a_100000070787_100000750740 [1,0,0,0,0,0|0,0,0]=1 91 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [1,0,0,0,0,0|1,0,0]=2 92 B11R0.167 CCCCC(C(=O)N)C(=O)CO 1458a_100000210174_100000748834 [1,0,0,0,0,0|2,0,0]=3 93 B11R0.167 CCCCC(C(=O)N)N(C)CC 2230a_100000225621_100000748834 [1,0,0,0,0,0|3,0,0]=4 94 B11R0.167 CCCCC(C(=O)N)N(C)CC 269982a_100000225621_100000748834 [1,0,0,0,0,0|3,0,0]=4 95 B11R0.167 CCCCC(C(=O)OC)N(C)C 2230a_100102631434_100000750740 [1,0,0,0,0,0|2,0,0]=3 96 B11R0.167 CCCCC(C(=O)OC)N(C)C 269982a_100102631434_100000750740 [1,0,0,0,0,0|2,0,0]=3 97 B11R0.167 CCCCN(C(=O)C)C(C)CC 11a_100000207357_100015343762 [1,0,0,0,0,0|2,0,1]=4 98 B11R0.167 CCCCN(C(=O)C)C(C)CC 1626a_100000207357_100015343762 [1,0,0,0,0,0|2,0,1]=4 99 B11R0.167 CCCCN(C(=O)C)C(C)CC 240690a_100000207357_100015343762 [1,0,0,0,0,0|2,0,1]=4 100 B11R0.167 CCCCN(C(=O)C)C(C)CC 527a_100000207357_100103153847 [1,0,0,0,0,0|2,0,1]=4 101 B11R0.167 CCCCN(C(=O)CC)C(C)C 11a_100000207398_100000210414 [1,0,0,0,0,0|2,0,1]=4 102 B11R0.167 CCCCN(C(=O)CC)C(C)C 1626a_100000207398_100000210414 [1,0,0,0,0,0|2,0,1]=4 103 B11R0.167 CCCCN(C(=O)CC)C(C)C 240690a_100000207398_100000210414 [1,0,0,0,0,0|2,0,1]=4 104 B11R0.167 CCCCN(C(=O)CC)C(C)C 527a_100000207398_100000210414 [1,0,0,0,0,0|2,0,1]=4 105 B11R0.167 CCCOC(C(=O)OC)C(C)C 34a_100000210258_100000736125 [1,0,0,0,0,0|2,0,1]=4 106 B11R0.167 CCCO[C@@H](C(=O)OC)C(C)C 34a_100009883636_100000210303 [1,0,0,0,0,0|2,0,1]=4 107 B11R0.167 CCCO[C@@H](C(=O)OC)C(C)C 7a_100009883636_100000210303 [1,0,0,0,0,0|2,0,1]=4 108 B11R0.167 CCCSC(C(=O)C)C(=O)NC 62a_100000210303_100000210987 [1,0,0,0,0,0|2,0,0]=3 109 B11R0.167 CCCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210303 [1,0,0,0,0,0|2,0,0]=3 110 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100000210303_100011215331 [1,0,0,0,0,0|1,0,0]=2 111 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210303 [1,0,0,0,0,0|1,0,0]=2 112 B11R0.167 CCCSC(C(=O)OC)C(C)C 62a_100000210303_100000736125 [1,0,0,0,0,0|2,0,1]=4 113 B11R0.167 CCCSC(C(=O)OC)C(C)C 62a_100000736125_100000210303 [1,0,0,0,0,0|2,0,1]=4 114 B11R0.167 CNC(=O)C(SCCF)C(=O)C 62a_100000210987_100011217306 [1,0,0,0,0,0|3,0,0]=4 115 B11R0.167 CNC(=O)C(SCCF)C(=O)C 62a_100011217306_100000210987 [1,0,0,0,0,0|3,0,0]=4 116 B11R0.167 CNC(=O)C(SCCO)C(=O)C 62a_100000210987_100000211926 [1,0,0,0,0,0|3,0,0]=4 117 B11R0.167 CNC(=O)C(SCCO)C(=O)C 62a_100000211926_100000210987 [1,0,0,0,0,0|3,0,0]=4 118 B11R0.167 CNC(=O)C(SCOC)C(=O)C 62a_100000210987_100000766300 [1,0,0,0,0,0|3,0,0]=4 119 B11R0.167 CNC(=O)C(SCOC)C(=O)C 62a_100000766300_100000210987 [1,0,0,0,0,0|3,0,0]=4 120 B11R0.167 CNC(=O)C(SCSC)C(=O)C 62a_100000210987_100011218213 [1,0,0,0,0,0|3,0,0]=4 121 B11R0.167 CNC(=O)C(SCSC)C(=O)C 62a_100011218213_100000210987 [1,0,0,0,0,0|3,0,0]=4 122 B11R0.167 COC(=O)C(SCC#N)C(=O)C 62a_100011215331_100011215382 [1,0,0,0,0,0|2,0,1]=4 123 B11R0.167 COC(=O)C(SCC#N)C(=O)C 62a_100011215382_100011215331 [1,0,0,0,0,0|2,0,1]=4 124 B11R0.167 COC(=O)C(SCC=O)C(=O)C 62a_100011215331_200015260668 [1,0,0,0,0,0|2,0,1]=4 125 B11R0.167 COC(=O)C(SCC=O)C(=O)C 62a_200015260668_100011215331 [1,0,0,0,0,0|2,0,1]=4 126 B11R0.167 COC(=O)C(SCCF)C(=O)C 62a_100011215331_100011217306 [1,0,0,0,0,0|2,0,0]=3 127 B11R0.167 COC(=O)C(SCCF)C(=O)C 62a_100011217306_100011215331 [1,0,0,0,0,0|2,0,0]=3 128 B11R0.167 COC(=O)C(SCCO)C(=O)C 62a_100000211926_100011215331 [1,0,0,0,0,0|2,0,0]=3 129 B11R0.167 COC(=O)C(SCCO)C(=O)C 62a_100011215331_100000211926 [1,0,0,0,0,0|2,0,0]=3 130 B11R0.167 COC(=O)C(SCSC)C(=O)C 62a_100011215331_100011218213 [1,0,0,0,0,0|2,0,0]=3 131 B11R0.167 COC(=O)C(SCSC)C(=O)C 62a_100011218213_100011215331 [1,0,0,0,0,0|2,0,0]=3 132 B11R0.167 COCSC(C(=O)C)C(=O)OC 62a_100000766300_100011215331 [1,0,0,0,0,0|2,0,0]=3 133 B11R0.167 COCSC(C(=O)C)C(=O)OC 62a_100011215331_100000766300 [1,0,0,0,0,0|2,0,0]=3 134 B11R0.191 C#CCSC(C=O)C(=O)OCC 62a_100000038162_100000053139 [1,0,0,0,0,0|1,0,2]=4 135 B11R0.191 C=CCSC(C=O)C(=O)OCC 62a_100000053139_100000210623 [1,0,0,0,0,0|1,0,2]=4 136 B11R0.191 C=CCSC(C=O)C(=O)OCC 62a_100000210623_100000053139 [1,0,0,0,0,0|1,0,2]=4 137 B11R0.191 CC#CC(=O)C(CC)CCCC 1458a_100000763181_200011216223 [1,0,0,0,0,0|1,0,2]=4 138 B11R0.191 CC=CC(=O)C(CC)CCCC 1458a_100000210699_200011216223 [1,0,0,0,0,0|1,0,2]=4 139 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211130_100000210303 [1,0,0,0,0,0|1,0,1]=3 140 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211992_200011216223 [1,0,0,0,0,0|1,0,1]=3 141 B11R0.191 CCCCC(CC)C(=O)CCF 1458a_100000211130_100011217306 [1,0,0,0,0,0|2,0,1]=4 142 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100000211130_100000211926 [1,0,0,0,0,0|2,0,1]=4 143 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100011216618_200011216223 [1,0,0,0,0,0|2,0,1]=4 144 B11R0.191 CCCCC(CC)C(=O)COC 1458a_100000210968_200011216223 [1,0,0,0,0,0|2,0,1]=4 145 B11R0.191 CCCCC(CC)C(=O)CSC 1458a_100000184570_200011216223 [1,0,0,0,0,0|2,0,1]=4 146 B11R0.191 CCCCC(CC)C(=O)NCC 11a_100015525214_100000211130 [1,0,0,0,0,0|1,0,1]=3 147 B11R0.191 CCCCC(CC)C(=O)NCC 240690a_100015525214_100000211130 [1,0,0,0,0,0|1,0,1]=3 148 B11R0.191 CCCCC(CC)C(=O)NCC 527a_100015525214_100000211130 [1,0,0,0,0,0|1,0,1]=3 149 B11R0.191 CCCCC(CC)C(=O)NNC 22a_100016993582_100000211130 [1,0,0,0,0,0|2,0,1]=4 150 B11R0.191 CCCCC(CC)C(C)OCC 34a_200011290779_100000210202 [1,0,0,0,0,0|1,0,2]=4 151 B11R0.191 CCCCC(CC)C(C)OCC 7a_200011290779_100000210202 [1,0,0,0,0,0|1,0,2]=4 152 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [1,0,0,0,0,0|1,0,0]=2 153 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [1,0,0,0,0,0|1,0,0]=2 154 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [1,0,0,0,0,0|1,0,0]=2 155 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [1,0,0,0,0,0|1,0,0]=2 156 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [1,0,0,0,0,0|1,0,0]=2 157 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [1,0,0,0,0,0|1,0,0]=2 158 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [1,0,0,0,0,0|1,0,0]=2 159 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [1,0,0,0,0,0|1,0,0]=2 160 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [1,0,0,0,0,0|1,0,0]=2 161 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [1,0,0,0,0,0|1,0,0]=2 162 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [1,0,0,0,0,0|1,0,0]=2 163 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [1,0,0,0,0,0|1,0,0]=2 164 B11R0.191 CCCCN(CC)C(=O)CCC 11a_100000207695_100000211992 [1,0,0,0,0,0|2,0,1]=4 165 B11R0.191 CCCCN(CC)C(=O)CCC 1626a_100000207695_100000211992 [1,0,0,0,0,0|2,0,1]=4 166 B11R0.191 CCCCN(CC)C(=O)CCC 240690a_100000207695_100000211992 [1,0,0,0,0,0|2,0,1]=4 167 B11R0.191 CCCCN(CC)C(=O)CCC 527a_100000207695_100000211992 [1,0,0,0,0,0|2,0,1]=4 168 B11R0.191 CCCCN(CC)C(=O)NCC 2708a_100015525214_100000207695 [1,0,0,0,0,0|2,0,1]=4 169 B11R0.191 CCCCN(CC)C(=O)NCC 273464a_100015525214_100000207695 [1,0,0,0,0,0|2,0,1]=4 170 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100000210258_100000212269 [1,0,0,0,0,0|1,0,1]=3 171 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100011216719_100000210303 [1,0,0,0,0,0|1,0,1]=3 172 B11R0.191 CCCOC(CC)C(=O)OCC 7a_100011216719_100000210303 [1,0,0,0,0,0|1,0,1]=3 173 B11R0.191 CCCOC(SC)C(=O)OCC 34a_100000210258_100009893047 [1,0,0,0,0,0|2,0,0]=3 174 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [1,0,0,0,0,0|1,0,0]=2 175 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [1,0,0,0,0,0|1,0,0]=2 176 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000210303_100000212269 [1,0,0,0,0,0|1,0,1]=3 177 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000212269_100000210303 [1,0,0,0,0,0|1,0,1]=3 178 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100000210303_100009893047 [1,0,0,0,0,0|2,0,0]=3 179 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100009893047_100000210303 [1,0,0,0,0,0|2,0,0]=3 180 B11R0.191 CCOC(=O)C(C=O)SCC#N 62a_100000053139_100011215382 [1,0,0,0,0,0|2,0,1]=4 181 B11R0.191 CCOC(=O)C(C=O)SCC#N 62a_100011215382_100000053139 [1,0,0,0,0,0|2,0,1]=4 182 B11R0.191 CCOC(=O)C(C=O)SCC=O 62a_100000053139_200015260668 [1,0,0,0,0,0|2,0,1]=4 183 B11R0.191 CCOC(=O)C(C=O)SCC=O 62a_200015260668_100000053139 [1,0,0,0,0,0|2,0,1]=4 184 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100000053139_100011217306 [1,0,0,0,0,0|2,0,0]=3 185 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100011217306_100000053139 [1,0,0,0,0,0|2,0,0]=3 186 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000053139_100000211926 [1,0,0,0,0,0|2,0,0]=3 187 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000211926_100000053139 [1,0,0,0,0,0|2,0,0]=3 188 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000053139_100000766300 [1,0,0,0,0,0|2,0,0]=3 189 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000766300_100000053139 [1,0,0,0,0,0|2,0,0]=3 190 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100000053139_100011218213 [1,0,0,0,0,0|2,0,0]=3 191 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100011218213_100000053139 [1,0,0,0,0,0|2,0,0]=3 192 B11R0.191 CCOC(=O)C(CC)NCCF 34a_100000724931_100000212269 [1,0,0,0,0,0|2,0,1]=4 193 B11R0.191 CCOC(=O)C(CC)NCCO 2230a_100016997473_100000212269 [1,0,0,0,0,0|2,0,1]=4 194 B11R0.191 CCOC(=O)C(CC)NCCO 34a_100016990907_100000212269 [1,0,0,0,0,0|2,0,1]=4 195 B11R0.191 CCOC(=O)C(CC)OCCBr 34a_100000211926_100000212269 [1,0,0,0,0,0|2,0,1]=4 196 B11R0.191 CCOC(=O)C(CC)OCCF 34a_100011216719_100011217306 [1,0,0,0,0,0|2,0,1]=4 197 B11R0.191 CCOC(=O)C(CC)OCCF 7a_100011216719_100011217306 [1,0,0,0,0,0|2,0,1]=4 198 B11R0.191 CCOC(=O)C(CC)OCCN 34a_100000210304_100000212269 [1,0,0,0,0,0|2,0,1]=4 199 B11R0.191 CCOC(=O)C(CC)OCCO 34a_100011216719_100000211926 [1,0,0,0,0,0|2,0,1]=4 200 B11R0.191 CCOC(=O)C(CC)OCCO 7a_100011216719_100000211926 [1,0,0,0,0,0|2,0,1]=4 201 B11R0.191 CCOC(=O)C(CC)OCSC 34a_100011216719_100011218213 [1,0,0,0,0,0|2,0,1]=4 202 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100000212269_100011217306 [1,0,0,0,0,0|2,0,1]=4 203 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100011217306_100000212269 [1,0,0,0,0,0|2,0,1]=4 204 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000211926_100000212269 [1,0,0,0,0,0|2,0,1]=4 205 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000212269_100000211926 [1,0,0,0,0,0|2,0,1]=4 206 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000212269_100000766300 [1,0,0,0,0,0|2,0,1]=4 207 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000766300_100000212269 [1,0,0,0,0,0|2,0,1]=4 208 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100000212269_100011218213 [1,0,0,0,0,0|2,0,1]=4 209 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100011218213_100000212269 [1,0,0,0,0,0|2,0,1]=4 210 B11R0.191 CCOC(=O)C(NCCF)SC 34a_100000724931_100009893047 [1,0,0,0,0,0|3,0,0]=4 211 B11R0.191 CCOC(=O)C(NCCO)SC 34a_100016990907_100009893047 [1,0,0,0,0,0|3,0,0]=4 212 B11R0.191 CCOC(=O)C(OCCBr)SC 34a_100000211926_100009893047 [1,0,0,0,0,0|3,0,0]=4 213 B11R0.191 CCOC(=O)C(OCCN)SC 34a_100000210304_100009893047 [1,0,0,0,0,0|3,0,0]=4 214 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100009893047_100011217306 [1,0,0,0,0,0|3,0,0]=4 215 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100011217306_100009893047 [1,0,0,0,0,0|3,0,0]=4 216 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100000211926_100009893047 [1,0,0,0,0,0|3,0,0]=4 217 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100009893047_100000211926 [1,0,0,0,0,0|3,0,0]=4 218 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100000766300_100009893047 [1,0,0,0,0,0|3,0,0]=4 219 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100009893047_100000766300 [1,0,0,0,0,0|3,0,0]=4 220 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100009893047_100011218213 [1,0,0,0,0,0|3,0,0]=4 221 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100011218213_100009893047 [1,0,0,0,0,0|3,0,0]=4 222 B13R0.375 C=C(C)COC(C(=O)C)C(=O)OCC 34a_100000210245_100009831564 [0,1,0,0,0,0|1,0,1]=3 223 B13R0.375 C=C(C)CSC(C(=O)C)C(=O)OCC 62a_100000211040_100000211660 [0,1,0,0,0,0|1,0,1]=3 224 B13R0.375 C=C(C)CSC(C(=O)C)C(=O)OCC 62a_100000748629_100000211040 [0,1,0,0,0,0|1,0,1]=3 225 B13R0.375 C=C(F)COC(C(=O)C)C(=O)OCC 34a_200010262243_100009831564 [0,1,0,0,0,0|1,0,2]=4 226 B13R0.375 C=C(F)CSC(C(=O)C)C(=O)OCC 62a_100000042424_100000211040 [0,1,0,0,0,0|1,0,2]=4 227 B13R0.375 C=C(F)CSC(C(=O)C)C(=O)OCC 62a_100000211040_100000042424 [0,1,0,0,0,0|1,0,2]=4 228 B13R0.375 CCOC(=O)C(NCC(C)C)C(=O)C 34a_100000210953_100009831564 [0,1,0,0,0,0|1,0,0]=2 229 B13R0.375 CCOC(=O)C(NCC(C)C)C(C)C 34a_100000210953_100000740032 [0,1,0,0,0,0|2,0,1]=4 230 B13R0.375 CCOC(=O)C(NCC(C)O)C(=O)C 34a_100000210904_100009831564 [0,1,0,0,0,0|1,0,0]=2 231 B13R0.375 CCOC(=O)C(NCC(C)O)C(C)C 34a_100000210904_100000740032 [0,1,0,0,0,0|2,0,1]=4 232 B13R0.375 CCOC(=O)C(NCC(F)F)C(=O)C 34a_100000765723_100009831564 [0,1,0,0,0,0|2,0,0]=3 233 B13R0.375 CCOC(=O)C(OCC(=O)C)C(=O)C 34a_100000211253_100009831564 [0,1,0,0,0,0|1,0,1]=3 234 B13R0.375 CCOC(=O)C(OCC(C)Br)C(=O)C 34a_100012180447_100009831564 [0,1,0,0,0,0|1,0,0]=2 235 B13R0.375 CCOC(=O)C(OCC(C)Br)C(C)C 34a_100012180447_100000740032 [0,1,0,0,0,0|2,0,1]=4 236 B13R0.375 CCOC(=O)C(OCC(C)C)C(=O)C 34a_100000210257_100009831564 [0,1,0,0,0,0|1,0,0]=2 237 B13R0.375 CCOC(=O)C(OCC(C)C)C(C)C 34a_100000210257_100000740032 [0,1,0,0,0,0|2,0,1]=4 238 B13R0.375 CCOC(=O)C(OCC(C)F)C(=O)C 34a_100015925927_100009831564 [0,1,0,0,0,0|1,0,0]=2 239 B13R0.375 CCOC(=O)C(OCC(C)F)C(C)C 34a_100015925927_100000740032 [0,1,0,0,0,0|2,0,1]=4 240 B13R0.375 CCOC(=O)C(OCC(F)F)C(=O)C 34a_100000743014_100009831564 [0,1,0,0,0,0|2,0,0]=3 241 B13R0.375 CCOC(=O)C(OC[C@@H](C)Cl)C(=O)C 34a_100016084084_100009831564 [0,1,0,0,0,0|1,0,0]=2 242 B13R0.375 CCOC(=O)C(OC[C@@H](C)Cl)C(C)C 34a_100016084084_100000740032 [0,1,0,0,0,0|2,0,1]=4 243 B13R0.375 CCOC(=O)C(OC[C@@H](C)N)C(=O)C 34a_100000737577_100009831564 [0,1,0,0,0,0|1,0,0]=2 244 B13R0.375 CCOC(=O)C(OC[C@@H](C)N)C(C)C 34a_100000737577_100000740032 [0,1,0,0,0,0|2,0,1]=4 245 B13R0.375 CCOC(=O)C(SCC(=O)N)C(=O)C 62a_100000211040_100000747473 [0,1,0,0,0,0|2,0,1]=4 246 B13R0.375 CCOC(=O)C(SCC(=O)N)C(=O)C 62a_100000747473_100000211040 [0,1,0,0,0,0|2,0,1]=4 247 B13R0.375 CCOC(=O)C(SCC(=O)[O-])C(=O)C 62a_100000211040_100020667443 [0,1,0,0,0,0|2,0,1]=4 248 B13R0.375 CCOC(=O)C(SCC(=O)[O-])C(=O)C 62a_100020667443_100000211040 [0,1,0,0,0,0|2,0,1]=4 249 B13R0.375 CCOC(=O)C(SCC(C)C)C(=O)C 62a_100000210624_100000211040 [0,1,0,0,0,0|1,0,0]=2 250 B13R0.375 CCOC(=O)C(SCC(C)C)C(=O)C 62a_100000211040_100000210760 [0,1,0,0,0,0|1,0,0]=2 251 B13R0.375 CCOC(=O)C(SCC(C)C)C(C)C 62a_100000210624_100000740032 [0,1,0,0,0,0|2,0,1]=4 252 B13R0.375 CCOC(=O)C(SCC(C)C)C(C)C 62a_100000740032_100000210760 [0,1,0,0,0,0|2,0,1]=4 253 B13R0.375 CCOC(=O)C(SCC(C)O)C(=O)C 62a_100000211040_100011218427 [0,1,0,0,0,0|1,0,0]=2 254 B13R0.375 CCOC(=O)C(SCC(C)O)C(=O)C 62a_100011218427_100000211040 [0,1,0,0,0,0|1,0,0]=2 255 B13R0.375 CCOC(=O)C(SCC(C)O)C(C)C 62a_100000740032_100011218427 [0,1,0,0,0,0|2,0,1]=4 256 B13R0.375 CCOC(=O)C(SCC(C)O)C(C)C 62a_100011218427_100000740032 [0,1,0,0,0,0|2,0,1]=4 257 B13R0.375 CCOC(=O)C(SCC(F)F)C(=O)C 62a_100000211040_100011934356 [0,1,0,0,0,0|2,0,0]=3 258 B13R0.375 CCOC(=O)C(SCC(F)F)C(=O)C 62a_100011934356_100000211040 [0,1,0,0,0,0|2,0,0]=3 259 B13R0.375 CCOC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100000211040_100009817552 [0,1,0,0,0,0|1,0,0]=2 260 B13R0.375 CCOC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100009817552_100000211040 [0,1,0,0,0,0|1,0,0]=2 261 B13R0.375 CCOC(=O)C(SC[C@@H](C)O)C(C)C 62a_100000740032_100009817552 [0,1,0,0,0,0|2,0,1]=4 262 B13R0.375 CCOC(=O)C(SC[C@@H](C)O)C(C)C 62a_100009817552_100000740032 [0,1,0,0,0,0|2,0,1]=4 263 B13R0.375 CCOC(=O)C(SC[N+](=O)[O-])C(=O)C 62a_100000211040_100000761209 [0,1,0,0,0,0|3,0,0]=4 264 B13R0.477 C/C=C(\C)/C(=O)C(CCCC)C(=O)N 1458a_100020587367_100000748834 [0,1,0,0,0,0|2,0,1]=4 265 B13R0.477 CCCCC(C(=O)N)C(=O)C(=O)NC 1458a_100011218921_100000748834 [0,1,0,0,0,0|3,0,0]=4 266 B13R0.477 CCCCC(C(=O)N)C(=O)C(C)CC 1458a_100011192722_100000748834 [0,1,0,0,0,0|2,0,0]=3 267 B13R0.477 CCCCC(C(=O)N)C(=O)C(C)OC 1458a_100000743197_100000748834 [0,1,0,0,0,0|3,0,0]=4 268 B13R0.477 CCCCC(C(=O)N)C(=O)C(C)SC 1458a_100000149566_100000748834 [0,1,0,0,0,0|3,0,0]=4 269 B13R0.477 CCCCC(C(=O)N)C(=O)C(O)CC 1458a_100011196387_100000748834 [0,1,0,0,0,0|2,0,0]=3 270 B13R0.477 CCCCC(C(=O)N)C(=O)C(O)CO 1458a_100011215603_100000748834 [0,1,0,0,0,0|3,0,0]=4 271 B13R0.498 C#CCCC(=O)C(CCCC)C(=O)N 1458a_100000692101_100000748834 [0,1,0,0,0,0|2,0,1]=4 272 B13R0.498 C=CCCC(=O)C(CCCC)C(=O)N 1458a_100000749702_100000748834 [0,1,0,0,0,0|2,0,1]=4 273 B13R0.498 CC=CCC(=O)C(CCCC)C(=O)N 1458a_100121576822_100000748834 [0,1,0,0,0,0|2,0,1]=4 274 B13R0.498 CCC#CC(=O)C(CCCC)C(=O)N 1458a_100011827653_100000748834 [0,1,0,0,0,0|2,0,0]=3 275 B13R0.498 CCC=CC(=O)C(CCCC)C(=O)N 1458a_100000212282_100000748834 [0,1,0,0,0,0|2,0,0]=3 276 B13R0.498 CCCCC(=O)C(CCCC)C(=O)N 1458a_100000210183_100000748834 [0,1,0,0,0,0|2,0,0]=3 277 B13R0.498 CCCCC(C(=O)N)C(=O)C#CCO 1458a_100000049017_100000748834 [0,1,0,0,0,0|2,0,1]=4 278 B13R0.498 CCCCC(C(=O)N)C(=O)C=COC 1458a_100016268678_100000748834 [0,1,0,0,0,0|2,0,1]=4 279 B13R0.498 CCCCC(C(=O)N)C(=O)CCC#N 1458a_100011934036_100000748834 [0,1,0,0,0,0|2,0,1]=4 280 B13R0.498 CCCCC(C(=O)N)C(=O)CCOC 1458a_100000749529_100000748834 [0,1,0,0,0,0|2,0,0]=3 281 B13R0.498 CCCCC(C(=O)N)C(=O)CCSC 1458a_100000174002_100000748834 [0,1,0,0,0,0|2,0,0]=3 282 B13R0.498 CCCCC(C(=O)N)C(=O)COCC 1458a_100000211967_100000748834 [0,1,0,0,0,0|1,0,0]=2 283 B13R0.498 CCCCC(C(=O)N)C(=O)CSCC 1458a_100000230394_100000748834 [0,1,0,0,0,0|1,1,0]=3 284 B13R0.498 CCCCN(C(=O)COCC)C(C)C 11a_100000207398_100000211967 [0,1,0,0,0,0|2,0,1]=4 285 B13R0.498 CCCCN(C(=O)COCC)C(C)C 1626a_100000207398_100000211967 [0,1,0,0,0,0|2,0,1]=4 286 B13R0.498 CCCCN(C(=O)COCC)C(C)C 240690a_100000207398_100000211967 [0,1,0,0,0,0|2,0,1]=4 287 B13R0.498 CCCCN(C(=O)COCC)C(C)C 527a_100000207398_100000211967 [0,1,0,0,0,0|2,0,1]=4 288 B13R0.730 C#CC(C)NC(C(=O)C)C(=O)OCC 34a_100000707721_100009831564 [0,1,0,0,0,0|1,0,2]=4 289 B13R0.730 C#CC(C)SC(C(=O)C)C(=O)OCC 62a_200000035995_100000211040 [0,1,0,0,0,0|1,0,2]=4 290 B13R0.730 C#C[C@@H](C)OC(C(=O)C)C(=O)OCC 34a_100009815206_100009831564 [0,1,0,0,0,0|1,0,2]=4 291 B13R0.730 C=CC(C)OC(C(=O)C)C(=O)OCC 34a_100000695699_100009831564 [0,1,0,0,0,0|1,0,2]=4 292 B13R0.730 C=CC(C)SC(C(=O)C)C(=O)OCC 62a_100011215867_100000211040 [0,1,0,0,0,0|1,0,2]=4 293 B13R0.730 CCOC(=O)C(OC(C)C#N)C(=O)C 34a_100011218135_100009831564 [0,1,0,0,0,0|2,0,1]=4 294 B13R0.730 CCOC(=O)C(OC(C)CC)C(C)C 7a_100000210228_100000740032 [0,1,0,0,0,0|2,0,1]=4 295 B13R0.730 CCOC(=O)C(OC(C)CF)C(=O)C 34a_100016041109_100009831564 [0,1,0,0,0,0|2,0,0]=3 296 B13R0.730 CCOC(=O)C(OC(C)CN)C(=O)C 34a_100000210904_100009831564 [0,1,0,0,0,0|2,0,0]=3 297 B13R0.730 CCOC(=O)C(SC(C)C#N)C(=O)C 62a_100000211040_100000703298 [0,1,0,0,0,0|2,0,1]=4 298 B13R0.730 CCOC(=O)C(SC(C)C#N)C(=O)C 62a_100000703298_100000211040 [0,1,0,0,0,0|2,0,1]=4 299 B13R0.730 CCOC(=O)C(SC(C)CC)C(=O)C 62a_100000211040_100000758301 [0,1,0,0,0,0|1,0,0]=2 300 B13R0.730 CCOC(=O)C(SC(C)CC)C(=O)C 62a_100000758301_100000211040 [0,1,0,0,0,0|1,0,0]=2 301 B13R0.730 CCOC(=O)C(SC(C)CC)C(C)C 62a_100000740032_100000758301 [0,1,0,0,0,0|2,0,1]=4 302 B13R0.730 CCOC(=O)C(SC(C)CC)C(C)C 62a_100000758301_100000740032 [0,1,0,0,0,0|2,0,1]=4 303 B13R0.730 CCOC(=O)C(SC(C)CO)C(=O)C 62a_100012180447_100000211040 [0,1,0,0,0,0|2,0,0]=3 304 B13R0.730 CCOC(=O)C(SC(C)OC)C(=O)C 62a_100000211040_100009879195 [0,1,0,0,0,0|2,0,0]=3 305 B13R0.730 CCOC(=O)C(SC(C)OC)C(=O)C 62a_100009879195_100000211040 [0,1,0,0,0,0|2,0,0]=3 306 B13R0.730 CCOC(=O)C(SC(F)C#N)C(=O)C 62a_100000211040_200000117898 [0,1,0,0,0,0|2,0,1]=4 307 B13R0.730 CCOC(=O)C(SC(F)C#N)C(=O)C 62a_200000117898_100000211040 [0,1,0,0,0,0|2,0,1]=4 308 B13R0.730 CCOC(=O)C(S[C@H](C)CO)C(=O)C 62a_100000211040_100016084084 [0,1,0,0,0,0|2,0,0]=3 309 B13R0.730 CCOC(=O)C(S[C@H](C)CO)C(=O)C 62a_100016084084_100000211040 [0,1,0,0,0,0|2,0,0]=3 310 B13R0.753 C#CCN(C)C(C(=O)C)C(=O)OCC 34a_100000225692_100009831564 [0,1,0,0,0,0|1,0,2]=4 311 B13R0.753 C=CCN(C)C(C(=O)C)C(=O)OCC 269982a_100000225617_100009831564 [0,1,0,0,0,0|1,0,2]=4 312 B13R0.753 CCCC(=O)C(C(=O)OCC)C(C)C 1458a_100000211992_100000740032 [0,1,0,0,0,0|1,0,2]=4 313 B13R0.753 CCCN(C)C(C(=O)C)C(=O)OCC 269982a_100000747261_100009831564 [0,1,0,0,0,0|1,0,0]=2 314 B13R0.753 CCCN(C)C(C(=O)OCC)C(C)C 269982a_100000747261_100000740032 [0,1,0,0,0,0|2,0,1]=4 315 B13R0.753 CCOC(=O)C(C(=O)C)N(C)CCO 269982a_100000210263_100009831564 [0,1,0,0,0,0|2,0,0]=3 316 B13R0.1271 C#CCCNC(C(=O)C)C(=O)OCC 34a_100000755551_100009831564 [0,1,0,0,0,0|0,0,2]=3 317 B13R0.1271 C#CCCOC(C(=O)C)C(=O)OCC 34a_100011215631_100009831564 [0,1,0,0,0,0|0,0,2]=3 318 B13R0.1271 C#CCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000688953 [0,1,0,0,0,0|0,0,2]=3 319 B13R0.1271 C#CCCSC(C(=O)C)C(=O)OCC 62a_100000688953_100000211040 [0,1,0,0,0,0|0,0,2]=3 320 B13R0.1271 C/C=C/COC(C(=O)C)C(=O)OCC 34a_100016270725_100009831564 [0,1,0,0,0,0|0,0,2]=3 321 B13R0.1271 C/C=C/CSC(C(=O)C)C(=O)OCC 62a_100000211040_100102629194 [0,1,0,0,0,0|0,0,2]=3 322 B13R0.1271 C/C=C/CSC(C(=O)C)C(=O)OCC 62a_100102629194_100000211040 [0,1,0,0,0,0|0,0,2]=3 323 B13R0.1271 C=CCCOC(C(=O)C)C(=O)OCC 34a_100011205117_100009831564 [0,1,0,0,0,0|0,0,2]=3 324 B13R0.1271 C=CCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000754431 [0,1,0,0,0,0|0,0,2]=3 325 B13R0.1271 C=CCCSC(C(=O)C)C(=O)OCC 62a_100000754431_100000211040 [0,1,0,0,0,0|0,0,2]=3 326 B13R0.1271 CC#CCNC(C(=O)C)C(=O)OCC 34a_100000685387_100009831564 [0,1,0,0,0,0|0,0,2]=3 327 B13R0.1271 CC#CCOC(C(=O)C)C(=O)OCC 34a_100000761923_100009831564 [0,1,0,0,0,0|0,0,2]=3 328 B13R0.1271 CC#CCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000748600 [0,1,0,0,0,0|0,0,2]=3 329 B13R0.1271 CC#CCSC(C(=O)C)C(=O)OCC 62a_100000748600_100000211040 [0,1,0,0,0,0|0,0,2]=3 330 B13R0.1271 CC=CCSC(C(=O)C)C(=O)OCC 62a_100000070051_100000211040 [0,1,0,0,0,0|0,0,2]=3 331 B13R0.1271 CC=CCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000070051 [0,1,0,0,0,0|0,0,2]=3 332 B13R0.1271 CCCCCC(C(=O)C)C(=O)OCC 1458a_100000070787_200009813352 [0,1,0,0,0,0|0,0,0]=1 333 B13R0.1271 CCCCCC(C(=O)OCC)N(C)C 2230a_100102631434_200009813352 [0,1,0,0,0,0|2,0,0]=3 334 B13R0.1271 CCCCCC(C(=O)OCC)N(C)C 269982a_100102631434_200009813352 [0,1,0,0,0,0|2,0,0]=3 335 B13R0.1271 CCCCNC(C(=O)OCC)C(C)C 7a_106832991798_100000740032 [0,1,0,0,0,0|1,0,1]=3 336 B13R0.1271 CCCCOC(C(=O)C)C(=O)OCC 34a_100000210227_100009831564 [0,1,0,0,0,0|0,0,0]=1 337 B13R0.1271 CCCCOC(C(=O)OCC)C(C)C 34a_100000210227_100000740032 [0,1,0,0,0,0|1,0,1]=3 338 B13R0.1271 CCCCOC(C(=O)OCC)C(C)C 7a_100000210227_100000740032 [0,1,0,0,0,0|1,0,1]=3 339 B13R0.1271 CCCCSC(C(=O)C)C(=O)OCC 62a_100000210211_100000211040 [0,1,0,0,0,0|0,0,0]=1 340 B13R0.1271 CCCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000210210 [0,1,0,0,0,0|0,0,0]=1 341 B13R0.1271 CCCCSC(C(=O)OCC)C(C)C 62a_100000210211_100000740032 [0,1,0,0,0,0|1,0,1]=3 342 B13R0.1271 CCCCSC(C(=O)OCC)C(C)C 62a_100000740032_100000210210 [0,1,0,0,0,0|1,0,1]=3 343 B13R0.1271 CCOC(=O)C(NCCCF)C(=O)C 34a_100015189416_100009831564 [0,1,0,0,0,0|1,0,0]=2 344 B13R0.1271 CCOC(=O)C(NCCCF)C(C)C 34a_100015189416_100000740032 [0,1,0,0,0,0|2,0,1]=4 345 B13R0.1271 CCOC(=O)C(OCCCBr)C(=O)C 34a_100011217188_100009831564 [0,1,0,0,0,0|1,0,0]=2 346 B13R0.1271 CCOC(=O)C(OCCCBr)C(C)C 34a_100011217188_100000740032 [0,1,0,0,0,0|2,0,1]=4 347 B13R0.1271 CCOC(=O)C(OCCCCl)C(=O)C 34a_100000230001_100009831564 [0,1,0,0,0,0|1,0,0]=2 348 B13R0.1271 CCOC(=O)C(OCCCCl)C(C)C 34a_100000230001_100000740032 [0,1,0,0,0,0|2,0,1]=4 349 B13R0.1271 CCOC(=O)C(OCCCF)C(=O)C 34a_100000759539_100009831564 [0,1,0,0,0,0|1,0,0]=2 350 B13R0.1271 CCOC(=O)C(OCCCF)C(C)C 34a_100000759539_100000740032 [0,1,0,0,0,0|2,0,1]=4 351 B13R0.1271 CCOC(=O)C(OCCCN)C(=O)C 34a_100000182051_100009831564 [0,1,0,0,0,0|1,0,0]=2 352 B13R0.1271 CCOC(=O)C(OCCCN)C(C)C 34a_100000182051_100000740032 [0,1,0,0,0,0|2,0,1]=4 353 B13R0.1271 CCOC(=O)C(OCCOC)C(=O)C 34a_100000210237_100009831564 [0,1,0,0,0,0|1,0,0]=2 354 B13R0.1271 CCOC(=O)C(OCCOC)C(C)C 34a_100000210237_100000740032 [0,1,0,0,0,0|2,0,1]=4 355 B13R0.1271 CCOC(=O)C(OCCON)C(=O)C 34a_100000700252_100009831564 [0,1,0,0,0,0|2,0,0]=3 356 B13R0.1271 CCOC(=O)C(OCCSC)C(=O)C 34a_100000230434_100009831564 [0,1,0,0,0,0|1,0,0]=2 357 B13R0.1271 CCOC(=O)C(OCCSC)C(C)C 34a_100000230434_100000740032 [0,1,0,0,0,0|2,0,1]=4 358 B13R0.1271 CCOC(=O)C(OCCSC)C(C)C 7a_100000230434_100000740032 [0,1,0,0,0,0|2,0,1]=4 359 B13R0.1271 CCOC(=O)C(SCCC#N)C(=O)C 62a_100000211040_100011215226 [0,1,0,0,0,0|1,0,1]=3 360 B13R0.1271 CCOC(=O)C(SCCC#N)C(=O)C 62a_100011215226_100000211040 [0,1,0,0,0,0|1,0,1]=3 361 B13R0.1271 CCOC(=O)C(SCCCF)C(=O)C 62a_100000211040_100011934791 [0,1,0,0,0,0|1,0,0]=2 362 B13R0.1271 CCOC(=O)C(SCCCF)C(=O)C 62a_100011934791_100000211040 [0,1,0,0,0,0|1,0,0]=2 363 B13R0.1271 CCOC(=O)C(SCCCF)C(C)C 62a_100000740032_100011934791 [0,1,0,0,0,0|2,0,1]=4 364 B13R0.1271 CCOC(=O)C(SCCCF)C(C)C 62a_100011934791_100000740032 [0,1,0,0,0,0|2,0,1]=4 365 B13R0.1271 CCOC(=O)C(SCCCO)C(=O)C 62a_100000211040_100011215043 [0,1,0,0,0,0|1,0,0]=2 366 B13R0.1271 CCOC(=O)C(SCCCO)C(=O)C 62a_100011215043_100000211040 [0,1,0,0,0,0|1,0,0]=2 367 B13R0.1271 CCOC(=O)C(SCCCO)C(C)C 62a_100000740032_100011215043 [0,1,0,0,0,0|2,0,1]=4 368 B13R0.1271 CCOC(=O)C(SCCCO)C(C)C 62a_100011215043_100000740032 [0,1,0,0,0,0|2,0,1]=4 369 B13R0.1271 CCOC(=O)C(SCCOC)C(=O)C 62a_100000211040_100000233755 [0,1,0,0,0,0|1,0,0]=2 370 B13R0.1271 CCOC(=O)C(SCCOC)C(=O)C 62a_100000233755_100000211040 [0,1,0,0,0,0|1,0,0]=2 371 B13R0.1271 CCOC(=O)C(SCCOC)C(C)C 62a_100000233755_100000740032 [0,1,0,0,0,0|2,0,1]=4 372 B13R0.1271 CCOC(=O)C(SCCOC)C(C)C 62a_100000740032_100000233755 [0,1,0,0,0,0|2,0,1]=4 373 B13R0.1271 CCOC(=O)C(SCCSC)C(=O)C 62a_100000211040_100000751147 [0,1,0,0,0,0|1,0,0]=2 374 B13R0.1271 CCOC(=O)C(SCCSC)C(=O)C 62a_100000212216_100000211040 [0,1,0,0,0,0|1,0,0]=2 375 B13R0.1271 CCOC(=O)C(SCCSC)C(C)C 62a_100000212216_100000740032 [0,1,0,0,0,0|2,0,1]=4 376 B13R0.1271 CCOC(=O)C(SCCSC)C(C)C 62a_100000740032_100000751147 [0,1,0,0,0,0|2,0,1]=4 377 B13R0.1271 CCOC(=O)C(SCSC#N)C(=O)C 62a_100000211040_100000211825 [0,1,0,0,0,0|2,0,1]=4 378 B13R0.1271 CCOC(=O)C(SCSC#N)C(=O)C 62a_100000211825_100000211040 [0,1,0,0,0,0|2,0,1]=4 379 B13R0.1271 CCOCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000739092 [0,1,0,0,0,0|1,0,0]=2 380 B13R0.1271 CCOCSC(C(=O)C)C(=O)OCC 62a_100000739092_100000211040 [0,1,0,0,0,0|1,0,0]=2 381 B13R0.1271 CCOCSC(C(=O)OCC)C(C)C 62a_100000739092_100000740032 [0,1,0,0,0,0|2,0,1]=4 382 B13R0.1271 CCOCSC(C(=O)OCC)C(C)C 62a_100000740032_100000739092 [0,1,0,0,0,0|2,0,1]=4 383 B13R0.1307 C#CC(=O)C(CCCC)C(=O)OCC 1458a_100000211873_200009813700 [0,1,0,0,0,0|0,0,1]=2 384 B13R0.1307 C#CCC(=O)C(CCCC)C(=O)OC 1458a_100011220946_100000750740 [0,1,0,0,0,0|1,0,2]=4 385 B13R0.1307 C#CCSC(C(=O)CC)C(=O)OCC 62a_100000038162_100000687759 [0,1,0,0,0,0|1,0,2]=4 386 B13R0.1307 C=CC(=O)C(CCCC)C(=O)OCC 1458a_100000185746_200009813700 [0,1,0,0,0,0|0,0,1]=2 387 B13R0.1307 C=CCC(=O)C(CCCC)C(=O)OC 1458a_100000210193_100000750740 [0,1,0,0,0,0|1,0,2]=4 388 B13R0.1307 C=CCSC(C(=O)CC)C(=O)OCC 62a_100000210623_100000687759 [0,1,0,0,0,0|1,0,2]=4 389 B13R0.1307 C=CCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000210623 [0,1,0,0,0,0|1,0,2]=4 390 B13R0.1307 CC#CC(=O)C(CCCC)C(=O)OC 1458a_100000763181_100000750740 [0,1,0,0,0,0|1,0,1]=3 391 B13R0.1307 CC=CC(=O)C(CCCC)C(=O)OC 1458a_100000210699_100000750740 [0,1,0,0,0,0|1,0,1]=3 392 B13R0.1307 CCCCC(C(=O)C=CBr)C(=O)OC 1458a_100016273825_100000750740 [0,1,0,0,0,0|2,0,1]=4 393 B13R0.1307 CCCCC(C(=O)C=CCl)C(=O)OC 1458a_200016279998_100000750740 [0,1,0,0,0,0|2,0,1]=4 394 B13R0.1307 CCCCC(C(=O)C=CI)C(=O)OC 1458a_100016256311_100000750740 [0,1,0,0,0,0|2,0,1]=4 395 B13R0.1307 CCCCC(C(=O)CC#N)C(=O)OC 1458a_100051588842_100000750740 [0,1,0,0,0,0|2,0,1]=4 396 B13R0.1307 CCCCC(C(=O)CC)C(=O)OCC 1458a_100000210414_200009813700 [0,1,0,0,0,0|0,0,0]=1 397 B13R0.1307 CCCCC(C(=O)CCC)C(=O)OC 1458a_100000211992_100000750740 [0,1,0,0,0,0|1,0,0]=2 398 B13R0.1307 CCCCC(C(=O)CCO)C(=O)OC 1458a_100011216618_100000750740 [0,1,0,0,0,0|2,0,0]=3 399 B13R0.1307 CCCCC(C(=O)CO)C(=O)OCC 1458a_100000210174_200009813700 [0,1,0,0,0,0|0,0,0]=1 400 B13R0.1307 CCCCC(C(=O)COC)C(=O)OC 1458a_100000210968_100000750740 [0,1,0,0,0,0|2,0,0]=3 401 B13R0.1307 CCCCC(C(=O)CSC)C(=O)OC 1458a_100000184570_100000750740 [0,1,0,0,0,0|2,0,0]=3 402 B13R0.1307 CCCCC(C(=O)OC)N(C)CCC 2230a_100000747261_100000750740 [0,1,0,0,0,0|3,0,0]=4 403 B13R0.1307 CCCCC(C(=O)OC)N(C)CCC 269982a_100000747261_100000750740 [0,1,0,0,0,0|3,0,0]=4 404 B13R0.1307 CCCCC(C(=O)OCC)N(C)CC 2230a_100000225621_200009813700 [0,1,0,0,0,0|2,0,0]=3 405 B13R0.1307 CCCCC(C(=O)OCC)N(C)CC 269982a_100000225621_200009813700 [0,1,0,0,0,0|2,0,0]=3 406 B13R0.1307 CCCSC(C(=O)CC)C(=O)OCC 62a_100000210303_100000687759 [0,1,0,0,0,0|1,0,0]=2 407 B13R0.1307 CCCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000210303 [0,1,0,0,0,0|1,0,0]=2 408 B13R0.1307 CCOC(=O)C(SCC#N)C(=O)CC 62a_100000687759_100011215382 [0,1,0,0,0,0|2,0,1]=4 409 B13R0.1307 CCOC(=O)C(SCC#N)C(=O)CC 62a_100011215382_100000687759 [0,1,0,0,0,0|2,0,1]=4 410 B13R0.1307 CCOC(=O)C(SCC=O)C(=O)CC 62a_100000687759_200015260668 [0,1,0,0,0,0|2,0,1]=4 411 B13R0.1307 CCOC(=O)C(SCC=O)C(=O)CC 62a_200015260668_100000687759 [0,1,0,0,0,0|2,0,1]=4 412 B13R0.1307 CCOC(=O)C(SCCF)C(=O)CC 62a_100000687759_100011217306 [0,1,0,0,0,0|2,0,0]=3 413 B13R0.1307 CCOC(=O)C(SCCF)C(=O)CC 62a_100011217306_100000687759 [0,1,0,0,0,0|2,0,0]=3 414 B13R0.1307 CCOC(=O)C(SCCO)C(=O)CC 62a_100000211926_100000687759 [0,1,0,0,0,0|2,0,0]=3 415 B13R0.1307 CCOC(=O)C(SCCO)C(=O)CC 62a_100000687759_100000211926 [0,1,0,0,0,0|2,0,0]=3 416 B13R0.1307 CCOC(=O)C(SCOC)C(=O)CC 62a_100000687759_100000766300 [0,1,0,0,0,0|2,0,0]=3 417 B13R0.1307 CCOC(=O)C(SCOC)C(=O)CC 62a_100000766300_100000687759 [0,1,0,0,0,0|2,0,0]=3 418 B13R0.1307 CCOC(=O)C(SCSC)C(=O)CC 62a_100000687759_100011218213 [0,1,0,0,0,0|2,0,0]=3 419 B13R0.1307 CCOC(=O)C(SCSC)C(=O)CC 62a_100011218213_100000687759 [0,1,0,0,0,0|2,0,0]=3 420 B13R0.1310 CCCCC(C(=O)N)C(=O)C=C(C)C 1458a_100000211388_100000748834 [0,1,0,0,0,0|2,0,1]=4 421 B13R0.1310 CCCCC(C(=O)N)C(=O)C=C(C)Cl 1458a_200042562850_100000748834 [0,1,0,0,0,0|2,0,1]=4 422 B13R0.1310 CCCCC(C(=O)N)C(=O)C=C(C)I 1458a_100025716642_100000748834 [0,1,0,0,0,0|2,0,1]=4 423 B13R0.1310 CCCCC(C(=O)N)C(=O)CC(C)C 1458a_100000210554_100000748834 [0,1,0,0,0,0|2,0,0]=3 424 B13R0.1310 CCCCC(C(=O)N)C(=O)CN(C)C 1458a_100000750896_100000748834 [0,1,0,0,0,0|3,0,0]=4 425 B13R0.1310 CCCCC(C(=O)N)C(=O)C[C@@H](C)O 1458a_100011933948_100000748834 [0,1,0,0,0,0|2,0,0]=3 426 B13R0.1310 CCCCC(C(=O)N)C(=O)C[S+](C)C 1458a_200159257847_100000748834 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.356 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC)C 34a_100016197468_100000210202 [0,0,0,1,0,0|2,0,1]=4 428 B13R1.356 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC)C 7a_100016197468_100000210202 [0,0,0,1,0,0|2,0,1]=4 429 B13R1.463 C#CCC(=O)C1CCCCCC1=O 1458a_100011220946_100000243696 [0,0,0,1,0,0|1,0,2]=4 430 B13R1.463 C=CCC(=O)C1CCCCCC1=O 1458a_100000210193_100000243696 [0,0,0,1,0,0|1,0,2]=4 431 B13R1.463 CC#CC(=O)C1CCCCCC1=O 1458a_100000763181_100000243696 [0,0,0,1,0,0|1,0,1]=3 432 B13R1.463 CC#CC(=O)C1CCCCNC1=O 1458a_100000763181_100000735217 [0,0,0,1,0,0|2,0,1]=4 433 B13R1.463 CC=CC(=O)C1CCCCCC1=O 1458a_100000210699_100000243696 [0,0,0,1,0,0|1,0,1]=3 434 B13R1.463 CC=CC(=O)C1CCCCNC1=O 1458a_100000210699_100000735217 [0,0,0,1,0,0|2,0,1]=4 435 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,0,0,1,0,0|1,0,0]=2 436 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [0,0,0,1,0,0|3,0,0]=4 437 B13R1.463 CCCC(=O)C1CCCCNC1=O 1458a_100000211992_100000735217 [0,0,0,1,0,0|2,0,0]=3 438 B13R1.463 CCCN(C)C1CCCCCC1=O 269982a_100000747261_100000243696 [0,0,0,1,0,0|3,0,0]=4 439 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [0,0,0,1,0,0|3,0,0]=4 440 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [0,0,0,1,0,0|3,0,0]=4 441 B13R1.463 COCC(=O)C1CCCCCC1=O 1458a_100000210968_100000243696 [0,0,0,1,0,0|2,0,0]=3 442 B13R1.463 COCC(=O)C1CCCCNC1=O 1458a_100000210968_100000735217 [0,0,0,1,0,0|3,0,0]=4 443 B13R1.463 CSCC(=O)C1CCCCCC1=O 1458a_100000184570_100000243696 [0,0,0,1,0,0|2,0,0]=3 444 B13R1.463 CSCC(=O)C1CCCCNC1=O 1458a_100000184570_100000735217 [0,0,0,1,0,0|3,0,0]=4 445 B13R1.463 N#CCC(=O)C1CCCCCC1=O 1458a_100051588842_100000243696 [0,0,0,1,0,0|2,0,1]=4 446 B13R1.463 O=C(C=CBr)C1CCCCCC1=O 1458a_100016273825_100000243696 [0,0,0,1,0,0|2,0,1]=4 447 B13R1.463 O=C(C=CCl)C1CCCCCC1=O 1458a_200016279998_100000243696 [0,0,0,1,0,0|2,0,1]=4 448 B13R1.463 O=C(C=CI)C1CCCCCC1=O 1458a_100016256311_100000243696 [0,0,0,1,0,0|2,0,1]=4 449 B13R1.463 O=C(CCO)C1CCCCCC1=O 1458a_100011216618_100000243696 [0,0,0,1,0,0|2,0,0]=3 450 B13R1.463 O=C(CCO)C1CCCCNC1=O 1458a_100011216618_100000735217 [0,0,0,1,0,0|3,0,0]=4 451 B13R1.1497 CCOC(=O)C(C(=O)C)N1CCC1 269982a_100000754969_100009831564 [0,0,0,1,0,0|1,0,0]=2 452 B13R1.1497 CCOC(=O)C(C(C)C)N1CCC1 269982a_100000754969_100000740032 [0,0,0,1,0,0|2,0,1]=4 453 B13R1.1911 CCCOC(C(=O)OCC)C1CC1 34a_100000210258_100010073418 [0,0,0,1,0,0|2,0,1]=4 454 B13R1.1911 CCCSC(C(=O)OCC)C1CC1 62a_100000210303_100010073418 [0,0,0,1,0,0|2,0,1]=4 455 B13R1.1911 CCCSC(C(=O)OCC)C1CC1 62a_100010073418_100000210303 [0,0,0,1,0,0|2,0,1]=4 456 B13R1.3593 CCCCC(C(=O)N)C(=O)C1CC1 1458a_100000210395_100000748834 [0,0,0,1,0,0|2,0,0]=3 457 B13R1.3593 CCCCC(C(=O)N)C(=O)C1CO1 1458a_100000701028_100000748834 [0,0,0,1,0,0|3,0,0]=4 458 B13R1.4441 CCOC(=O)C(NC1CC1)C(=O)C 34a_100000212008_100009831564 [0,0,0,1,0,0|1,0,0]=2 459 B13R1.4441 CCOC(=O)C(NC1CC1)C(C)C 34a_100000212008_100000740032 [0,0,0,1,0,0|2,0,1]=4 460 B13R1.4441 CCOC(=O)C(SC1CC1)C(=O)C 62a_100000211040_100000211595 [0,0,0,1,0,0|1,0,0]=2 461 B13R1.4441 CCOC(=O)C(SC1CC1)C(C)C 62a_100000740032_100000211595 [0,0,0,1,0,0|2,0,1]=4 462 B13R1.4458 CCOC(=O)C1(CC=CC1)C(=O)C 1458a_100000081342_200000210301 [0,0,0,1,0,0|0,0,2]=3 463 B13R1.4458 CCOC(=O)C1(CC=CC1)C(=O)[13CH3] 1458a_100000081342_200025704644 [0,0,0,1,0,0|0,0,2]=3 464 B13R1.6408 C#CCNC1(CCOC1=O)C(=O)C 34a_100000212058_100000088255 [0,0,0,1,0,0|1,0,2]=4 465 B13R1.6408 C#CCOC1(CCOC1=O)C(=O)C 34a_100000210247_100000088255 [0,0,0,1,0,0|1,0,2]=4 466 B13R1.6408 C#CCSC1(CCOC1=O)C(=O)C 62a_100000038162_100000088255 [0,0,0,1,0,0|1,0,2]=4 467 B13R1.6408 C=CCOC1(CCOC1=O)C(=O)C 34a_200000210373_100000088255 [0,0,0,1,0,0|1,0,2]=4 468 B13R1.6408 C=CCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000210623 [0,0,0,1,0,0|1,0,2]=4 469 B13R1.6408 C=CCSC1(CCOC1=O)C(=O)C 62a_100000210623_100000088255 [0,0,0,1,0,0|1,0,2]=4 470 B13R1.6408 CC(=O)C1(CCOC1=O)NCCF 34a_100000724931_100000088255 [0,0,0,1,0,0|2,0,0]=3 471 B13R1.6408 CC(=O)C1(CCOC1=O)NCCO 34a_100016990907_100000088255 [0,0,0,1,0,0|2,0,0]=3 472 B13R1.6408 CC(=O)C1(CCOC1=O)OCCBr 34a_100000211926_100000088255 [0,0,0,1,0,0|2,0,0]=3 473 B13R1.6408 CC(=O)C1(CCOC1=O)OCCN 34a_100000210304_100000088255 [0,0,0,1,0,0|2,0,0]=3 474 B13R1.6408 CC(=O)C1(CCOC1=O)SCC#N 62a_100000088255_100011215382 [0,0,0,1,0,0|2,0,1]=4 475 B13R1.6408 CC(=O)C1(CCOC1=O)SCC#N 62a_100011215382_100000088255 [0,0,0,1,0,0|2,0,1]=4 476 B13R1.6408 CC(=O)C1(CCOC1=O)SCC=O 62a_100000088255_200015260668 [0,0,0,1,0,0|2,0,1]=4 477 B13R1.6408 CC(=O)C1(CCOC1=O)SCC=O 62a_200015260668_100000088255 [0,0,0,1,0,0|2,0,1]=4 478 B13R1.6408 CC(=O)C1(CCOC1=O)SCCF 62a_100000088255_100011217306 [0,0,0,1,0,0|2,0,0]=3 479 B13R1.6408 CC(=O)C1(CCOC1=O)SCCF 62a_100011217306_100000088255 [0,0,0,1,0,0|2,0,0]=3 480 B13R1.6408 CC(=O)C1(CCOC1=O)SCCO 62a_100000088255_100000211926 [0,0,0,1,0,0|2,0,0]=3 481 B13R1.6408 CC(=O)C1(CCOC1=O)SCCO 62a_100000211926_100000088255 [0,0,0,1,0,0|2,0,0]=3 482 B13R1.6408 CCCOC1(CCOC1=O)C(=O)C 34a_100000210258_100000088255 [0,0,0,1,0,0|1,0,0]=2 483 B13R1.6408 CCCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000210303 [0,0,0,1,0,0|1,0,0]=2 484 B13R1.6408 CCCSC1(CCOC1=O)C(=O)C 62a_100000210303_100000088255 [0,0,0,1,0,0|1,0,0]=2 485 B13R1.6408 COCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000766300 [0,0,0,1,0,0|2,0,0]=3 486 B13R1.6408 COCSC1(CCOC1=O)C(=O)C 62a_100000766300_100000088255 [0,0,0,1,0,0|2,0,0]=3 487 B13R1.6408 CSCSC1(CCOC1=O)C(=O)C 62a_100000088255_100011218213 [0,0,0,1,0,0|2,0,0]=3 488 B13R1.6408 CSCSC1(CCOC1=O)C(=O)C 62a_100011218213_100000088255 [0,0,0,1,0,0|2,0,0]=3 489 B13R0.159 C#CCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000184674 [0,0,0,0,0,1|1,0,2]=4 490 B13R0.159 C=CCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000210623 [0,0,0,0,0,1|1,0,2]=4 491 B13R0.159 CCCC(=O)C(CCSC)NC(=O)N 1458a_100000182937_100000210303 [0,0,0,0,0,1|3,0,0]=4 492 B13R0.159 CCCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000210303 [0,0,0,0,0,1|2,0,0]=3 493 B13R0.159 CCCCC(NC(=O)C)C(=O)CC#N 1458a_100000194794_100011214920 [0,0,0,0,0,1|2,0,1]=4 494 B13R0.159 CCCCC(NC(=O)C)C(=O)CCC 1458a_100000194794_100000210303 [0,0,0,0,0,1|1,0,0]=2 495 B13R0.159 CCCCC(NC(=O)C)C(=O)CCF 1458a_100000194794_100011217306 [0,0,0,0,0,1|2,0,0]=3 496 B13R0.159 CCCCC(NC(=O)C)C(=O)CCO 1458a_100000194794_100000211926 [0,0,0,0,0,1|2,0,0]=3 497 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 11a_100015525214_100000194794 [0,0,0,0,0,1|1,0,0]=2 498 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 240690a_100015525214_100000194794 [0,0,0,0,0,1|1,0,0]=2 499 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 527a_100015525214_100000194794 [0,0,0,0,0,1|1,0,0]=2 500 B13R0.159 CCCCC(NC(=O)C)C(=O)NNC 22a_100016993582_100000194794 [0,0,0,0,0,1|2,0,0]=3 501 B13R0.159 CCCCC(NC(C)C)C(=O)OCC 2230a_100138425928_200009813700 [0,0,0,0,0,1|1,0,1]=3 502 B13R0.159 CCCCC(NC(C)C)C(=O)OCC 34a_100138425928_200009813700 [0,0,0,0,0,1|1,0,1]=3 503 B13R0.159 CCCCC(OC(C)C)C(=O)OCC 34a_100000212225_200009813700 [0,0,0,0,0,1|1,0,1]=3 504 B13R0.159 CCCCC(OC(C)C)C(=O)OCC 34a_200011215408_100000210206 [0,0,0,0,0,1|1,0,1]=3 505 B13R0.159 CCCCC(OC(C)C)C(=O)OCC 7a_200011215408_100000210206 [0,0,0,0,0,1|1,0,1]=3 506 B13R0.159 CCCCC(SC(C)C)C(=O)OCC 62a_100000210206_200009813700 [0,0,0,0,0,1|1,0,1]=3 507 B13R0.159 CCCCC(SC(C)C)C(=O)OCC 62a_200009813700_100000210206 [0,0,0,0,0,1|1,0,1]=3 508 B13R0.159 CCCOC(CC(C)C)C(=O)OCC 34a_100000210258_100010269446 [0,0,0,0,0,1|2,0,1]=4 509 B13R0.159 CCCOC(CC(C)C)C(=O)OCC 34a_100011626094_100000210303 [0,0,0,0,0,1|2,0,1]=4 510 B13R0.159 CCCOC(CC(C)C)C(=O)OCC 7a_100011626094_100000210303 [0,0,0,0,0,1|2,0,1]=4 511 B13R0.159 CCCSC(CC(C)C)C(=O)OCC 62a_100000210303_100010269446 [0,0,0,0,0,1|2,0,1]=4 512 B13R0.159 CCCSC(CC(C)C)C(=O)OCC 62a_100010269446_100000210303 [0,0,0,0,0,1|2,0,1]=4 513 B13R0.159 CCNC(=O)C(CCSC)NC(=O)N 240690a_100015525214_100000182937 [0,0,0,0,0,1|3,0,0]=4 514 B13R0.159 CCNC(=O)C(CCSC)NC(=O)N 527a_100015525214_100000182937 [0,0,0,0,0,1|3,0,0]=4 515 B13R0.159 CCNC(=O)[C@@H](CCSC)NC(=O)C 11a_100015525214_100011933958 [0,0,0,0,0,1|2,0,0]=3 516 B13R0.159 CCNC(=O)[C@@H](CCSC)NC(=O)C 240690a_100015525214_100011933958 [0,0,0,0,0,1|2,0,0]=3 517 B13R0.159 CCNC(=O)[C@@H](CCSC)NC(=O)C 527a_100015525214_100011933958 [0,0,0,0,0,1|2,0,0]=3 518 B13R0.159 CCOC(=O)[C@H](CCSC)NC(=O)C 188690a_100016988351_100015343762 [0,0,0,0,0,1|1,0,0]=2 519 B13R0.159 CNNC(=O)[C@@H](CCSC)NC(=O)C 22a_100016993582_100011933958 [0,0,0,0,0,1|3,0,0]=4 520 B13R0.159 CSCC[C@@H](NC(=O)C)C(=O)CCF 1458a_100011933958_100011217306 [0,0,0,0,0,1|3,0,0]=4 521 B13R0.159 CSCC[C@@H](NC(=O)C)C(=O)CCO 1458a_100011933958_100000211926 [0,0,0,0,0,1|3,0,0]=4 522 B13R0.1306 CC=CC(=O)N[C@@H](CCCC)C(=O)N 11a_100000124899_100000210699 [0,0,0,0,0,1|2,0,1]=4 523 B13R0.1306 CC=CC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100000210699 [0,0,0,0,0,1|2,0,1]=4 524 B13R0.1306 CC=CC(=O)N[C@@H](CCCC)C(=O)N 240690a_100000124899_100000210699 [0,0,0,0,0,1|2,0,1]=4 525 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000211992 [0,0,0,0,0,1|3,0,0]=4 526 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000211992 [0,0,0,0,0,1|3,0,0]=4 527 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000211992 [0,0,0,0,0,1|3,0,0]=4 528 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000211992 [0,0,0,0,0,1|3,0,0]=4 529 B13R0.1306 CCCCC(NC(=O)CNC)C(=O)O 269956a_100011217982_200000210301 [0,0,0,0,0,1|3,0,0]=4 530 B13R0.1306 CCCCC(NC(=O)CN[13CH3])C(=O)O 269956a_100011217982_200025704644 [0,0,0,0,0,1|3,0,0]=4 531 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 2230a_100000207398_100000188475 [0,0,0,0,0,1|2,0,1]=4 532 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 2230a_100000717205_100000210211 [0,0,0,0,0,1|2,0,1]=4 533 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 269982a_100000207398_100000188475 [0,0,0,0,0,1|2,0,1]=4 534 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 269982a_100000717205_100000210211 [0,0,0,0,0,1|2,0,1]=4 535 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 11a_100000124899_100000211992 [0,0,0,0,0,1|2,0,0]=3 536 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 1626a_100000124899_100000211992 [0,0,0,0,0,1|2,0,0]=3 537 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 240690a_100000124899_100000211992 [0,0,0,0,0,1|2,0,0]=3 538 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 527a_100000124899_100000211992 [0,0,0,0,0,1|2,0,0]=3 539 B13R0.1306 CCCC[C@H](NC(=O)CCO)C(=O)N 240690a_100000124899_100011216618 [0,0,0,0,0,1|3,0,0]=4 540 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 11a_100000124899_100000210968 [0,0,0,0,0,1|3,0,0]=4 541 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 1626a_100000124899_100000210968 [0,0,0,0,0,1|3,0,0]=4 542 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 240690a_100000124899_100000210968 [0,0,0,0,0,1|3,0,0]=4 543 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 527a_100000124899_100000210968 [0,0,0,0,0,1|3,0,0]=4 544 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 11a_100000124899_100000184570 [0,0,0,0,0,1|3,0,0]=4 545 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 1626a_100000124899_100000184570 [0,0,0,0,0,1|3,0,0]=4 546 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 240690a_100000124899_100000184570 [0,0,0,0,0,1|3,0,0]=4 547 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 527a_100000124899_100000184570 [0,0,0,0,0,1|3,0,0]=4 548 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 2708a_100015525214_100000124899 [0,0,0,0,0,1|2,0,0]=3 549 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 273464a_100000124899_100015525214 [0,0,0,0,0,1|2,0,0]=3 550 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 273464a_100015525214_100000124899 [0,0,0,0,0,1|2,0,0]=3 551 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 512a_100000124899_100015525214 [0,0,0,0,0,1|2,0,0]=3 552 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 512a_100015525214_100000124899 [0,0,0,0,0,1|2,0,0]=3 553 B13R0.1306 CCCC[C@H](NC(=O)NNC)C(=O)N 273464a_100000124899_100016993582 [0,0,0,0,0,1|3,0,0]=4 554 B13R0.1306 CCCC[C@H](NC(=O)NNC)C(=O)N 512a_100000124899_100016993582 [0,0,0,0,0,1|3,0,0]=4 555 B13R0.1306 CCCC[C@H](NC(=O)NNC)C(=O)N 512a_100016993582_100000124899 [0,0,0,0,0,1|3,0,0]=4 556 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 2708a_100015525214_100000119342 [0,0,0,0,0,1|3,0,0]=4 557 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100000119342_100015525214 [0,0,0,0,0,1|3,0,0]=4 558 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100015525214_100000119342 [0,0,0,0,0,1|3,0,0]=4 559 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 512a_100000119342_100015525214 [0,0,0,0,0,1|3,0,0]=4 560 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 512a_100015525214_100000119342 [0,0,0,0,0,1|3,0,0]=4 561 B13R0.1306 CCOC(=O)CN(CCC#N)C(=O)C 11a_100020587195_100015343762 [0,0,0,0,0,1|2,0,1]=4 562 B13R0.1306 CCOC(=O)CN(CCC#N)C(=O)C 1626a_100020587195_100015343762 [0,0,0,0,0,1|2,0,1]=4 563 B10R0.16 CCCCC(CC)COCC 34a_100000210273_100000210202 [2,0,0,0,0,0|0,0,2]=4 564 B10R0.16 CCCCC(CC)COCC 34a_100121572206_100000211942 [2,0,0,0,0,0|0,0,2]=4 565 B10R0.16 CCCCC(CC)COCC 7a_100000210273_100000210202 [2,0,0,0,0,0|0,0,2]=4 566 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [2,0,0,0,0,0|0,0,1]=3 567 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [2,0,0,0,0,0|2,0,0]=4 568 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [2,0,0,0,0,0|1,0,0]=3 569 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [2,0,0,0,0,0|1,1,0]=4 570 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [2,0,0,0,0,0|1,1,0]=4 571 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [2,0,0,0,0,0|1,0,1]=4 572 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [2,0,0,0,0,0|1,0,1]=4 573 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [2,0,0,0,0,0|1,0,1]=4 574 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [2,0,0,0,0,0|1,0,1]=4 575 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [2,0,0,0,0,0|2,0,0]=4 576 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [2,0,0,0,0,0|2,0,0]=4 577 B10R0.30 CCCC(C(=O)C)C(=O)OC 1458a_100000070787_200009843822 [2,0,0,0,0,0|0,0,0]=2 578 B10R0.30 CCCC(C(=O)OC)N(C)C 2230a_100102631434_200009843822 [2,0,0,0,0,0|2,0,0]=4 579 B10R0.30 CCCC(C(=O)OC)N(C)C 269982a_100102631434_200009843822 [2,0,0,0,0,0|2,0,0]=4 580 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210202_100000210987 [2,0,0,0,0,0|2,0,0]=4 581 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210202 [2,0,0,0,0,0|2,0,0]=4 582 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100000210202_100011215331 [2,0,0,0,0,0|1,0,0]=3 583 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210202 [2,0,0,0,0,0|1,0,0]=3 584 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100011215331_100015361967 [2,0,0,0,0,0|2,0,0]=4 585 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100015361967_100011215331 [2,0,0,0,0,0|2,0,0]=4 586 B10R0.30 COCC(C(=O)C)C(=O)OC 1458a_100000070787_100000717350 [2,0,0,0,0,0|1,0,0]=3 587 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [2,0,0,0,0,0|1,0,1]=4 588 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [2,0,0,0,0,0|1,0,1]=4 589 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [2,0,0,0,0,0|2,0,0]=4 590 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [2,0,0,0,0,0|2,0,0]=4 591 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [2,0,0,0,0,0|2,0,0]=4 592 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [2,0,0,0,0,0|2,0,0]=4 593 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [2,0,0,0,0,0|1,0,1]=4 594 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [2,0,0,0,0,0|1,0,1]=4 595 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [2,0,0,0,0,0|1,0,1]=4 596 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [2,0,0,0,0,0|1,0,0]=3 597 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [2,0,0,0,0,0|1,0,0]=3 598 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [2,0,0,0,0,0|1,0,0]=3 599 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [2,0,0,0,0,0|1,0,0]=3 600 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [2,0,0,0,0,0|1,0,0]=3 601 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [2,0,0,0,0,0|1,0,0]=3 602 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [2,0,0,0,0,0|1,0,0]=3 603 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [2,0,0,0,0,0|1,0,0]=3 604 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [2,0,0,0,0,0|1,0,0]=3 605 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [2,0,0,0,0,0|1,0,0]=3 606 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [2,0,0,0,0,0|1,0,0]=3 607 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [2,0,0,0,0,0|1,0,0]=3 608 B10R0.33 CCNC(CC)C(=O)OCC 2230a_100015525214_100000212269 [2,0,0,0,0,0|1,0,1]=4 609 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [2,0,0,0,0,0|1,0,0]=3 610 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [2,0,0,0,0,0|1,0,0]=3 611 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100000053139_100015361967 [2,0,0,0,0,0|2,0,0]=4 612 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100015361967_100000053139 [2,0,0,0,0,0|2,0,0]=4 613 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [2,0,0,0,0,0|1,0,1]=4 614 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [2,0,0,0,0,0|1,0,1]=4 615 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [2,0,0,0,0,0|1,0,1]=4 616 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000210202_100000212269 [2,0,0,0,0,0|1,0,1]=4 617 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000212269_100000210202 [2,0,0,0,0,0|1,0,1]=4 618 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [2,0,0,0,0,0|2,0,0]=4 619 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [2,0,0,0,0,0|2,0,0]=4 620 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [2,0,0,0,0,0|2,0,0]=4 621 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [2,0,0,0,0,0|2,0,0]=4 622 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [2,0,0,0,0,0|2,0,0]=4 623 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [2,0,0,0,0,0|2,0,0]=4 624 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [2,0,0,0,0,0|2,0,0]=4 625 B10R0.33 CCOC(=O)C(SC)SCC 62a_100000210202_100009893047 [2,0,0,0,0,0|2,0,0]=4 626 B10R0.33 CCOC(=O)C(SC)SCC 62a_100009893047_100000210202 [2,0,0,0,0,0|2,0,0]=4 627 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [2,0,0,0,0,0|2,0,0]=4 628 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [2,0,0,0,0,0|0,0,0]=2 629 B10R0.101 CCOC(=O)C(CC)N(C)C 2230a_100102631434_100000212269 [2,0,0,0,0,0|2,0,0]=4 630 B10R0.101 CCOC(=O)C(CC)N(C)C 269982a_100102631434_100000212269 [2,0,0,0,0,0|2,0,0]=4 631 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [2,0,0,0,0,0|1,0,0]=3 632 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [2,0,0,0,0,0|1,0,0]=3 633 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [2,0,0,0,0,0|1,0,0]=3 634 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [2,0,0,0,0,0|1,0,0]=3 635 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [2,0,0,0,0,0|1,0,0]=3 636 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [2,0,0,0,0,0|1,0,0]=3 637 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [2,0,0,0,0,0|1,0,0]=3 638 B10R0.17 CC(=O)C(SCCF)C(=O)C 62a_100000210371_100011217306 [2,0,0,0,0,0|2,0,0]=4 639 B10R0.17 CC(=O)C(SCCF)C(=O)C 62a_100011217306_100000210371 [2,0,0,0,0,0|2,0,0]=4 640 B10R0.17 CC(=O)C(SCCO)C(=O)C 62a_100000210371_100000211926 [2,0,0,0,0,0|2,0,0]=4 641 B10R0.17 CC(=O)C(SCCO)C(=O)C 62a_100000211926_100000210371 [2,0,0,0,0,0|2,0,0]=4 642 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [2,0,0,0,0,0|1,0,0]=3 643 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210303_100000210371 [2,0,0,0,0,0|1,0,0]=3 644 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210303 [2,0,0,0,0,0|1,0,0]=3 645 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000210371_100000766300 [2,0,0,0,0,0|2,0,0]=4 646 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000766300_100000210371 [2,0,0,0,0,0|2,0,0]=4 647 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100000210371_100011218213 [2,0,0,0,0,0|2,0,0]=4 648 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100011218213_100000210371 [2,0,0,0,0,0|2,0,0]=4 649 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [2,0,0,0,0,0|0,0,1]=3 650 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [2,0,0,0,0,0|0,0,1]=3 651 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [2,0,0,0,0,0|1,0,1]=4 652 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [2,0,0,0,0,0|1,0,1]=4 653 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [2,0,0,0,0,0|1,0,1]=4 654 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [2,0,0,0,0,0|1,0,1]=4 655 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [2,0,0,0,0,0|1,0,1]=4 656 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [2,0,0,0,0,0|1,0,1]=4 657 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [2,0,0,0,0,0|1,0,0]=3 658 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [2,0,0,0,0,0|1,0,0]=3 659 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [2,0,0,0,0,0|1,0,0]=3 660 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [2,0,0,0,0,0|1,0,0]=3 661 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [2,0,0,0,0,0|1,0,0]=3 662 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [2,0,0,0,0,0|1,0,0]=3 663 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [2,0,0,0,0,0|1,0,0]=3 664 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [2,0,0,0,0,0|1,0,0]=3 665 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [2,0,0,0,0,0|1,0,1]=4 666 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [2,0,0,0,0,0|1,0,1]=4 667 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [2,0,0,0,0,0|1,0,1]=4 668 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [2,0,0,0,0,0|1,0,1]=4 669 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [2,0,0,0,0,0|1,0,0]=3 670 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [2,0,0,0,0,0|1,0,1]=4 671 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [2,0,0,0,0,0|1,0,1]=4 672 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [2,0,0,0,0,0|1,0,1]=4 673 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [2,0,0,0,0,0|1,0,1]=4 674 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [2,0,0,0,0,0|1,0,1]=4 675 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [2,0,0,0,0,0|2,0,0]=4 676 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [2,0,0,0,0,0|2,0,0]=4 677 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [2,0,0,0,0,0|1,0,0]=3 678 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [2,0,0,0,0,0|1,0,0]=3 679 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [2,0,0,0,0,0|1,0,1]=4 680 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [2,0,0,0,0,0|1,0,1]=4 681 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [2,0,0,0,0,0|2,0,0]=4 682 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [2,0,0,0,0,0|2,0,0]=4 683 B10R0.85 COC(=O)C(C=O)NCCF 34a_100000724931_100000046368 [2,0,0,0,0,0|2,0,0]=4 684 B10R0.85 COC(=O)C(C=O)NCCO 34a_100016990907_100000046368 [2,0,0,0,0,0|2,0,0]=4 685 B10R0.85 COC(=O)C(C=O)OCCBr 34a_100000211926_100000046368 [2,0,0,0,0,0|2,0,0]=4 686 B10R0.85 COC(=O)C(C=O)OCCN 34a_100000210304_100000046368 [2,0,0,0,0,0|2,0,0]=4 687 B10R0.85 COC(=O)C(C=O)SCCF 62a_100000046368_100011217306 [2,0,0,0,0,0|2,0,0]=4 688 B10R0.85 COC(=O)C(C=O)SCCF 62a_100011217306_100000046368 [2,0,0,0,0,0|2,0,0]=4 689 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000046368_100000211926 [2,0,0,0,0,0|2,0,0]=4 690 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000211926_100000046368 [2,0,0,0,0,0|2,0,0]=4 691 B10R0.85 COC(=O)C(C=O)SCSC 62a_100000046368_100011218213 [2,0,0,0,0,0|2,0,0]=4 692 B10R0.85 COC(=O)C(C=O)SCSC 62a_100011218213_100000046368 [2,0,0,0,0,0|2,0,0]=4 693 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000046368_100000766300 [2,0,0,0,0,0|2,0,0]=4 694 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000766300_100000046368 [2,0,0,0,0,0|2,0,0]=4 695 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [2,0,0,0,0,0|1,0,1]=4 696 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [2,0,0,0,0,0|1,0,1]=4 697 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [2,0,0,0,0,0|1,0,1]=4 698 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [2,0,0,0,0,0|1,0,1]=4 699 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [2,0,0,0,0,0|1,0,1]=4 700 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [2,0,0,0,0,0|1,0,1]=4 701 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [2,0,0,0,0,0|1,0,0]=3 702 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [2,0,0,0,0,0|1,0,0]=3 703 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [2,0,0,0,0,0|2,0,0]=4 704 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [2,0,0,0,0,0|2,0,0]=4 705 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [2,0,0,0,0,0|2,0,0]=4 706 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [2,0,0,0,0,0|2,0,0]=4 707 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [2,0,0,0,0,0|2,0,0]=4 708 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [2,0,0,0,0,0|1,0,0]=3 709 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [2,0,0,0,0,0|1,0,0]=3 710 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [2,0,0,0,0,0|1,0,0]=3 711 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [2,0,0,0,0,0|2,0,0]=4 712 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [2,0,0,0,0,0|1,0,1]=4 713 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [2,0,0,0,0,0|1,0,1]=4 714 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [2,0,0,0,0,0|1,0,1]=4 715 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [2,0,0,0,0,0|2,0,0]=4 716 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [2,0,0,0,0,0|2,0,0]=4 717 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [2,0,0,0,0,0|2,0,0]=4 718 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [2,0,0,0,0,0|2,0,0]=4 719 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [2,0,0,0,0,0|2,0,0]=4 720 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [2,0,0,0,0,0|2,0,0]=4 721 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [2,0,0,0,0,0|1,0,1]=4 722 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [2,0,0,0,0,0|1,0,1]=4 723 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [2,0,0,0,0,0|1,0,1]=4 724 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [2,0,0,0,0,0|2,0,0]=4 725 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [2,0,0,0,0,0|2,0,0]=4 726 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [2,0,0,0,0,0|1,1,0]=4 727 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [2,0,0,0,0,0|2,0,0]=4 728 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [2,0,0,0,0,0|1,0,0]=3 729 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [2,0,0,0,0,0|2,0,0]=4 730 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [2,0,0,0,0,0|1,0,0]=3 731 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [2,0,0,0,0,0|2,0,0]=4 732 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [2,0,0,0,0,0|2,0,0]=4 733 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [2,0,0,0,0,0|1,0,0]=3 734 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [2,0,0,0,0,0|1,0,0]=3 735 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [2,0,0,0,0,0|2,0,0]=4 736 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [2,0,0,0,0,0|2,0,0]=4 737 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [2,0,0,0,0,0|1,0,1]=4 738 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [2,0,0,0,0,0|1,0,1]=4 739 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [2,0,0,0,0,0|2,0,0]=4 740 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [2,0,0,0,0,0|2,0,0]=4 741 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [2,0,0,0,0,0|2,0,0]=4 742 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [2,0,0,0,0,0|2,0,0]=4 743 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [2,0,0,0,0,0|2,0,0]=4 744 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [2,0,0,0,0,0|2,0,0]=4 745 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [2,0,0,0,0,0|2,0,0]=4 746 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [2,0,0,0,0,0|2,0,0]=4 747 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [2,0,0,0,0,0|2,0,0]=4 748 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [2,0,0,0,0,0|2,0,0]=4 749 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [2,0,0,0,0,0|2,0,0]=4 750 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [2,0,0,0,0,0|2,0,0]=4 751 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [2,0,0,0,0,0|2,0,0]=4 752 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [2,0,0,0,0,0|2,0,0]=4 753 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [2,0,0,0,0,0|2,0,0]=4 754 B12R0.244 CCCCC(SCOCC)C(=O)N 62a_100000739092_100000748834 [1,1,0,0,0,0|1,0,1]=4 755 B12R0.244 CCCCC(SCOCC)C(=O)N 62a_100000748834_100000739092 [1,1,0,0,0,0|1,0,1]=4 756 B12R0.250 CCCCC(CCCC)C(=O)CC 1458a_100000078208_100000210202 [1,1,0,0,0,0|1,0,1]=4 757 B12R0.250 CCCCC(CCCC)C(=O)CF 1458a_100000078208_100015361967 [1,1,0,0,0,0|1,0,1]=4 758 B12R0.250 CCCCC(CCCC)C(=O)NC 11a_106832991635_100000078208 [1,1,0,0,0,0|1,0,1]=4 759 B12R0.250 CCCCC(CCCC)C(=O)NC 1626a_100102657272_100000078208 [1,1,0,0,0,0|1,0,1]=4 760 B12R0.250 CCCCC(CCCC)C(=O)NC 240690a_100102657272_100000078208 [1,1,0,0,0,0|1,0,1]=4 761 B12R0.250 CCCCC(CCCC)C(=O)NC 527a_100102657272_100000078208 [1,1,0,0,0,0|1,0,1]=4 762 B12R0.250 CCCCC(OCCC)C(=O)OC 34a_100000210258_100000750740 [1,1,0,0,0,0|2,0,0]=4 763 B12R0.250 CCCCC(SCCC)C(=O)OC 62a_100000210303_100000750740 [1,1,0,0,0,0|2,0,0]=4 764 B12R0.250 CCCCC(SCCC)C(=O)OC 62a_100000750740_100000210303 [1,1,0,0,0,0|2,0,0]=4 765 B12R0.73 CCOC(=O)C(CC(C)C)C(=O)C 1458a_100000070787_100010269446 [1,1,0,0,0,0|0,0,0]=2 766 B12R0.73 CCOC(=O)C(CC(C)C)N(C)C 2230a_100102631434_100010269446 [1,1,0,0,0,0|2,0,0]=4 767 B12R0.73 CCOC(=O)C(CC(C)C)N(C)C 269982a_100102631434_100010269446 [1,1,0,0,0,0|2,0,0]=4 768 B12R0.73 CCOC(=O)C(NC(C)C)C(=O)C 34a_100138425928_100009831564 [1,1,0,0,0,0|1,0,0]=3 769 B12R0.73 CCOC(=O)C(OC(C)C)C(=O)C 34a_100000212225_100009831564 [1,1,0,0,0,0|1,0,0]=3 770 B12R0.73 CCOC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100000211040 [1,1,0,0,0,0|1,0,0]=3 771 B12R0.73 CCOC(=O)C(SC(C)C)C(=O)C 62a_100000211040_100000210206 [1,1,0,0,0,0|1,0,0]=3 772 B12R0.81 CCOC(=O)C(C(=O)C)N(C)CC 269982a_100000225621_100009831564 [1,1,0,0,0,0|1,0,0]=3 773 B12R0.274 C#CC(=O)C(CCC)C(=O)OCC 1458a_100000211873_100000695697 [1,1,0,0,0,0|0,0,1]=3 774 B12R0.274 C=CC(=O)C(CCC)C(=O)OCC 1458a_100000185746_100000695697 [1,1,0,0,0,0|0,0,1]=3 775 B12R0.274 CC#CC(=O)C(CCC)C(=O)OC 1458a_100000763181_200009843822 [1,1,0,0,0,0|1,0,1]=4 776 B12R0.274 CC=CC(=O)C(CCC)C(=O)OC 1458a_100000210699_200009843822 [1,1,0,0,0,0|1,0,1]=4 777 B12R0.274 CCCC(=O)C(CCC)C(=O)OC 1458a_100000211992_200009843822 [1,1,0,0,0,0|1,0,0]=3 778 B12R0.274 CCCC(=O)C(COC)C(=O)OC 1458a_100000211992_100000717350 [1,1,0,0,0,0|2,0,0]=4 779 B12R0.274 CCCC(C(=O)CC)C(=O)OCC 1458a_100000210414_100000695697 [1,1,0,0,0,0|0,0,0]=2 780 B12R0.274 CCCC(C(=O)CCO)C(=O)OC 1458a_100011216618_200009843822 [1,1,0,0,0,0|2,0,0]=4 781 B12R0.274 CCCC(C(=O)CO)C(=O)OCC 1458a_100000210174_100000695697 [1,1,0,0,0,0|0,0,0]=2 782 B12R0.274 CCCC(C(=O)COC)C(=O)OC 1458a_100000210968_200009843822 [1,1,0,0,0,0|2,0,0]=4 783 B12R0.274 CCCC(C(=O)CSC)C(=O)OC 1458a_100000184570_200009843822 [1,1,0,0,0,0|2,0,0]=4 784 B12R0.274 CCCC(C(=O)OCC)N(C)CC 2230a_100000225621_100000695697 [1,1,0,0,0,0|2,0,0]=4 785 B12R0.274 CCCC(C(=O)OCC)N(C)CC 269982a_100000225621_100000695697 [1,1,0,0,0,0|2,0,0]=4 786 B12R0.274 CCOC(=O)C(SCC)C(=O)CC 62a_100000210202_100000687759 [1,1,0,0,0,0|1,0,0]=3 787 B12R0.274 CCOC(=O)C(SCC)C(=O)CC 62a_100000687759_100000210202 [1,1,0,0,0,0|1,0,0]=3 788 B12R0.274 CCOC(=O)C(SCF)C(=O)CC 62a_100000687759_100015361967 [1,1,0,0,0,0|2,0,0]=4 789 B12R0.274 CCOC(=O)C(SCF)C(=O)CC 62a_100015361967_100000687759 [1,1,0,0,0,0|2,0,0]=4 790 B12R0.127 C#CCCSC(C(=O)C)C(=O)OC 62a_100000688953_100011215331 [1,1,0,0,0,0|0,0,2]=4 791 B12R0.127 C#CCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000688953 [1,1,0,0,0,0|0,0,2]=4 792 B12R0.127 C/C=C/CSC(C(=O)C)C(=O)OC 62a_100011215331_100102629194 [1,1,0,0,0,0|0,0,2]=4 793 B12R0.127 C/C=C/CSC(C(=O)C)C(=O)OC 62a_100102629194_100011215331 [1,1,0,0,0,0|0,0,2]=4 794 B12R0.127 C=CCCSC(C(=O)C)C(=O)OC 62a_100000754431_100011215331 [1,1,0,0,0,0|0,0,2]=4 795 B12R0.127 C=CCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000754431 [1,1,0,0,0,0|0,0,2]=4 796 B12R0.127 CC#CCSC(C(=O)C)C(=O)OC 62a_100000748600_100011215331 [1,1,0,0,0,0|0,0,2]=4 797 B12R0.127 CC#CCSC(C(=O)C)C(=O)OC 62a_100011215331_100000748600 [1,1,0,0,0,0|0,0,2]=4 798 B12R0.127 CC=CCSC(C(=O)C)C(=O)OC 62a_100000070051_100011215331 [1,1,0,0,0,0|0,0,2]=4 799 B12R0.127 CC=CCSC(C(=O)C)C(=O)OC 62a_100011215331_100000070051 [1,1,0,0,0,0|0,0,2]=4 800 B12R0.127 CCCCNC(C(=O)C)C(=O)NC 7a_106832991798_100000210987 [1,1,0,0,0,0|1,0,0]=3 801 B12R0.127 CCCCNC(C(=O)OC)C(C)C 2230a_100000102301_100000736125 [1,1,0,0,0,0|1,0,1]=4 802 B12R0.127 CCCCNC(C(=O)OC)C(C)C 7a_106832991798_100000736125 [1,1,0,0,0,0|1,0,1]=4 803 B12R0.127 CCCCOC(C(=O)C)C(=O)NC 7a_100000210227_100000210987 [1,1,0,0,0,0|1,0,0]=3 804 B12R0.127 CCCCOC(C(=O)OC)C(C)C 34a_100000210227_100000736125 [1,1,0,0,0,0|1,0,1]=4 805 B12R0.127 CCCCOC(C(=O)OC)C(C)C 7a_100000210227_100000736125 [1,1,0,0,0,0|1,0,1]=4 806 B12R0.127 CCCCO[C@@H](C(=O)OC)C(C)C 34a_100009883636_100000210210 [1,1,0,0,0,0|1,0,1]=4 807 B12R0.127 CCCCO[C@@H](C(=O)OC)C(C)C 7a_100009883636_100000210211 [1,1,0,0,0,0|1,0,1]=4 808 B12R0.127 CCCCSC(C(=O)C)C(=O)NC 62a_100000210211_100000210987 [1,1,0,0,0,0|1,0,0]=3 809 B12R0.127 CCCCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210210 [1,1,0,0,0,0|1,0,0]=3 810 B12R0.127 CCCCSC(C(=O)C)C(=O)OC 62a_100000210211_100011215331 [1,1,0,0,0,0|0,0,0]=2 811 B12R0.127 CCCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210210 [1,1,0,0,0,0|0,0,0]=2 812 B12R0.127 CCCCSC(C(=O)OC)C(C)C 62a_100000210211_100000736125 [1,1,0,0,0,0|1,0,1]=4 813 B12R0.127 CCCCSC(C(=O)OC)C(C)C 62a_100000736125_100000210210 [1,1,0,0,0,0|1,0,1]=4 814 B12R0.127 CCOCSC(C(=O)C)C(=O)NC 62a_100000210987_100000739092 [1,1,0,0,0,0|2,0,0]=4 815 B12R0.127 CCOCSC(C(=O)C)C(=O)NC 62a_100000739092_100000210987 [1,1,0,0,0,0|2,0,0]=4 816 B12R0.127 CCOCSC(C(=O)C)C(=O)OC 62a_100000739092_100011215331 [1,1,0,0,0,0|1,0,0]=3 817 B12R0.127 CCOCSC(C(=O)C)C(=O)OC 62a_100011215331_100000739092 [1,1,0,0,0,0|1,0,0]=3 818 B12R0.127 CNC(=O)C(OCCSC)C(=O)C 7a_100000230434_100000210987 [1,1,0,0,0,0|2,0,0]=4 819 B12R0.127 CNC(=O)C(SCCCF)C(=O)C 62a_100000210987_100011934791 [1,1,0,0,0,0|2,0,0]=4 820 B12R0.127 CNC(=O)C(SCCCF)C(=O)C 62a_100011934791_100000210987 [1,1,0,0,0,0|2,0,0]=4 821 B12R0.127 CNC(=O)C(SCCCO)C(=O)C 62a_100000210987_100011215043 [1,1,0,0,0,0|2,0,0]=4 822 B12R0.127 CNC(=O)C(SCCCO)C(=O)C 62a_100011215043_100000210987 [1,1,0,0,0,0|2,0,0]=4 823 B12R0.127 CNC(=O)C(SCCOC)C(=O)C 62a_100000210987_100000233755 [1,1,0,0,0,0|2,0,0]=4 824 B12R0.127 CNC(=O)C(SCCOC)C(=O)C 62a_100000233755_100000210987 [1,1,0,0,0,0|2,0,0]=4 825 B12R0.127 CNC(=O)C(SCCSC)C(=O)C 62a_100000210987_100000751147 [1,1,0,0,0,0|2,0,0]=4 826 B12R0.127 CNC(=O)C(SCCSC)C(=O)C 62a_100000212216_100000210987 [1,1,0,0,0,0|2,0,0]=4 827 B12R0.127 COC(=O)C(SCCC#N)C(=O)C 62a_100011215226_100011215331 [1,1,0,0,0,0|1,0,1]=4 828 B12R0.127 COC(=O)C(SCCC#N)C(=O)C 62a_100011215331_100011215226 [1,1,0,0,0,0|1,0,1]=4 829 B12R0.127 COC(=O)C(SCCCF)C(=O)C 62a_100011215331_100011934791 [1,1,0,0,0,0|1,0,0]=3 830 B12R0.127 COC(=O)C(SCCCF)C(=O)C 62a_100011934791_100011215331 [1,1,0,0,0,0|1,0,0]=3 831 B12R0.127 COC(=O)C(SCCCO)C(=O)C 62a_100011215043_100011215331 [1,1,0,0,0,0|1,0,0]=3 832 B12R0.127 COC(=O)C(SCCCO)C(=O)C 62a_100011215331_100011215043 [1,1,0,0,0,0|1,0,0]=3 833 B12R0.127 COC(=O)C(SCCSC)C(=O)C 62a_100000212216_100011215331 [1,1,0,0,0,0|1,0,0]=3 834 B12R0.127 COC(=O)C(SCCSC)C(=O)C 62a_100011215331_100000751147 [1,1,0,0,0,0|1,0,0]=3 835 B12R0.127 COCCSC(C(=O)C)C(=O)OC 62a_100000233755_100011215331 [1,1,0,0,0,0|1,0,0]=3 836 B12R0.127 COCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000233755 [1,1,0,0,0,0|1,0,0]=3 837 B12R0.158 CCC(C)OC(C(=O)C)C(=O)NC 7a_100000210228_100000210987 [1,1,0,0,0,0|2,0,0]=4 838 B12R0.158 CCC(C)SC(C(=O)C)C(=O)NC 62a_100000210987_100000758301 [1,1,0,0,0,0|2,0,0]=4 839 B12R0.158 CCC(C)SC(C(=O)C)C(=O)NC 62a_100000758301_100000210987 [1,1,0,0,0,0|2,0,0]=4 840 B12R0.158 CCC(C)SC(C(=O)C)C(=O)OC 62a_100000758301_100011215331 [1,1,0,0,0,0|1,0,0]=3 841 B12R0.158 CCC(C)SC(C(=O)C)C(=O)OC 62a_100011215331_100000758301 [1,1,0,0,0,0|1,0,0]=3 842 B12R0.158 COC(=O)C(SC(C)CO)C(=O)C 62a_100012180447_100011215331 [1,1,0,0,0,0|2,0,0]=4 843 B12R0.158 COC(=O)C(SC(C)OC)C(=O)C 62a_100009879195_100011215331 [1,1,0,0,0,0|2,0,0]=4 844 B12R0.158 COC(=O)C(SC(C)OC)C(=O)C 62a_100011215331_100009879195 [1,1,0,0,0,0|2,0,0]=4 845 B12R0.158 COC(=O)C(S[C@H](C)CO)C(=O)C 62a_100011215331_100016084084 [1,1,0,0,0,0|2,0,0]=4 846 B12R0.158 COC(=O)C(S[C@H](C)CO)C(=O)C 62a_100016084084_100011215331 [1,1,0,0,0,0|2,0,0]=4 847 B12R0.249 C#CC(=O)C(CCCC)C(=O)OC 1458a_100000211873_100000750740 [1,1,0,0,0,0|0,0,1]=3 848 B12R0.249 C=CC(=O)C(CCCC)C(=O)OC 1458a_100000185746_100000750740 [1,1,0,0,0,0|0,0,1]=3 849 B12R0.249 CCC(=O)C(SCCF)C(=O)OC 62a_100000056495_100011217306 [1,1,0,0,0,0|2,0,0]=4 850 B12R0.249 CCC(=O)C(SCCF)C(=O)OC 62a_100011217306_100000056495 [1,1,0,0,0,0|2,0,0]=4 851 B12R0.249 CCC(=O)C(SCCO)C(=O)OC 62a_100000056495_100000211926 [1,1,0,0,0,0|2,0,0]=4 852 B12R0.249 CCC(=O)C(SCCO)C(=O)OC 62a_100000211926_100000056495 [1,1,0,0,0,0|2,0,0]=4 853 B12R0.249 CCC(=O)C(SCOC)C(=O)OC 62a_100000056495_100000766300 [1,1,0,0,0,0|2,0,0]=4 854 B12R0.249 CCC(=O)C(SCOC)C(=O)OC 62a_100000766300_100000056495 [1,1,0,0,0,0|2,0,0]=4 855 B12R0.249 CCC(=O)C(SCSC)C(=O)OC 62a_100000056495_100011218213 [1,1,0,0,0,0|2,0,0]=4 856 B12R0.249 CCC(=O)C(SCSC)C(=O)OC 62a_100011218213_100000056495 [1,1,0,0,0,0|2,0,0]=4 857 B12R0.249 CCCCC(C(=O)CC)C(=O)OC 1458a_100000210414_100000750740 [1,1,0,0,0,0|0,0,0]=2 858 B12R0.249 CCCCC(C(=O)CO)C(=O)OC 1458a_100000210174_100000750740 [1,1,0,0,0,0|0,0,0]=2 859 B12R0.249 CCCCC(C(=O)OC)N(C)CC 2230a_100000225621_100000750740 [1,1,0,0,0,0|2,0,0]=4 860 B12R0.249 CCCCC(C(=O)OC)N(C)CC 269982a_100000225621_100000750740 [1,1,0,0,0,0|2,0,0]=4 861 B12R0.249 CCCOC(C(=O)OC)C(=O)OC 34a_100000210258_100000037946 [1,1,0,0,0,0|1,0,0]=3 862 B12R0.249 CCCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210303 [1,1,0,0,0,0|1,0,0]=3 863 B12R0.249 CCCSC(C(=O)CC)C(=O)OC 62a_100000210303_100000056495 [1,1,0,0,0,0|1,0,0]=3 864 B12R0.249 CCCSC(C(=O)OC)C(=O)OC 62a_100000037946_100000210303 [1,1,0,0,0,0|1,0,0]=3 865 B12R0.249 CCCSC(C(=O)OC)C(=O)OC 62a_100000210303_100000037946 [1,1,0,0,0,0|1,0,0]=3 866 B12R0.249 CNCCC(C(=O)OC)C(=O)OC 2230a_106832991635_100055869314 [1,1,0,0,0,0|1,0,0]=3 867 B12R0.249 CNCCC(C(=O)OC)C(=O)OC 34a_100102657272_100055869314 [1,1,0,0,0,0|1,0,0]=3 868 B12R0.249 COC(=O)C(CCSC)C(=O)OC 62a_100055869314_200000210301 [1,1,0,0,0,0|1,0,0]=3 869 B12R0.249 COC(=O)C(CCSC)C(=O)OC 62a_200000210301_100055869314 [1,1,0,0,0,0|1,0,0]=3 870 B12R0.249 COC(=O)C(CCS[13CH3])C(=O)OC 62a_100055869314_200025704644 [1,1,0,0,0,0|1,0,0]=3 871 B12R0.249 COC(=O)C(CCS[13CH3])C(=O)OC 62a_200025704644_100055869314 [1,1,0,0,0,0|1,0,0]=3 872 B12R0.249 COC(=O)C(NCCF)C(=O)OC 34a_100000724931_100000037946 [1,1,0,0,0,0|2,0,0]=4 873 B12R0.249 COC(=O)C(NCCO)C(=O)OC 34a_100016990907_100000037946 [1,1,0,0,0,0|2,0,0]=4 874 B12R0.249 COC(=O)C(OCCBr)C(=O)OC 34a_100000211926_100000037946 [1,1,0,0,0,0|2,0,0]=4 875 B12R0.249 COC(=O)C(OCCN)C(=O)OC 34a_100000210304_100000037946 [1,1,0,0,0,0|2,0,0]=4 876 B12R0.249 COC(=O)C(SCCF)C(=O)OC 62a_100000037946_100011217306 [1,1,0,0,0,0|2,0,0]=4 877 B12R0.249 COC(=O)C(SCCF)C(=O)OC 62a_100011217306_100000037946 [1,1,0,0,0,0|2,0,0]=4 878 B12R0.249 COC(=O)C(SCCO)C(=O)OC 62a_100000037946_100000211926 [1,1,0,0,0,0|2,0,0]=4 879 B12R0.249 COC(=O)C(SCCO)C(=O)OC 62a_100000211926_100000037946 [1,1,0,0,0,0|2,0,0]=4 880 B12R0.249 COC(=O)C(SCSC)C(=O)OC 62a_100000037946_100011218213 [1,1,0,0,0,0|2,0,0]=4 881 B12R0.249 COC(=O)C(SCSC)C(=O)OC 62a_100011218213_100000037946 [1,1,0,0,0,0|2,0,0]=4 882 B12R0.249 COCCC(C(=O)OC)C(=O)OC 34a_100138415774_100055869314 [1,1,0,0,0,0|1,0,0]=3 883 B12R0.249 COCSC(C(=O)OC)C(=O)OC 62a_100000037946_100000766300 [1,1,0,0,0,0|2,0,0]=4 884 B12R0.249 COCSC(C(=O)OC)C(=O)OC 62a_100000766300_100000037946 [1,1,0,0,0,0|2,0,0]=4 885 B12R0.253 C=C(C)C(=O)C(CCCC)C(=O)N 1458a_100000185857_100000748834 [1,1,0,0,0,0|1,0,1]=4 886 B12R0.253 CCCCC(C(=O)N)C(=O)C(C)C 1458a_100000210198_100000748834 [1,1,0,0,0,0|1,0,0]=3 887 B12R0.253 CCCCC(C(=O)N)C(=O)C(C)F 1458a_100000062450_100000748834 [1,1,0,0,0,0|1,0,0]=3 888 B12R0.253 CCCCC(C(=O)N)C(=O)C(O)O 1458a_100000233687_100000748834 [1,1,0,0,0,0|2,0,0]=4 889 B12R0.253 CCCCC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000748834 [1,1,0,0,0,0|1,0,0]=3 890 B12R0.253 CCCCC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000748834 [1,1,0,0,0,0|1,0,0]=3 891 B12R0.253 CCCSC(C(=O)C)C(=O)N(C)C 62a_100000210303_100000211001 [1,1,0,0,0,0|2,0,0]=4 892 B12R0.253 CCCSC(C(=O)C)C(=O)N(C)C 62a_100000211001_100000210303 [1,1,0,0,0,0|2,0,0]=4 893 B12R0.350 C=C(C)CSC(C(=O)C)C(=O)OC 62a_100000748629_100011215331 [1,1,0,0,0,0|1,0,1]=4 894 B12R0.350 C=C(C)CSC(C(=O)C)C(=O)OC 62a_100011215331_100000211660 [1,1,0,0,0,0|1,0,1]=4 895 B12R0.350 CNC(=O)C(SCC(C)C)C(=O)C 62a_100000210624_100000210987 [1,1,0,0,0,0|2,0,0]=4 896 B12R0.350 CNC(=O)C(SCC(C)C)C(=O)C 62a_100000210987_100000210760 [1,1,0,0,0,0|2,0,0]=4 897 B12R0.350 CNC(=O)C(SCC(C)O)C(=O)C 62a_100000210987_100011218427 [1,1,0,0,0,0|2,0,0]=4 898 B12R0.350 CNC(=O)C(SCC(C)O)C(=O)C 62a_100011218427_100000210987 [1,1,0,0,0,0|2,0,0]=4 899 B12R0.350 CNC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100000210987_100009817552 [1,1,0,0,0,0|2,0,0]=4 900 B12R0.350 CNC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100009817552_100000210987 [1,1,0,0,0,0|2,0,0]=4 901 B12R0.350 COC(=O)C(SCC(C)C)C(=O)C 62a_100000210624_100011215331 [1,1,0,0,0,0|1,0,0]=3 902 B12R0.350 COC(=O)C(SCC(C)C)C(=O)C 62a_100011215331_100000210760 [1,1,0,0,0,0|1,0,0]=3 903 B12R0.350 COC(=O)C(SCC(C)O)C(=O)C 62a_100011215331_100011218427 [1,1,0,0,0,0|1,0,0]=3 904 B12R0.350 COC(=O)C(SCC(C)O)C(=O)C 62a_100011218427_100011215331 [1,1,0,0,0,0|1,0,0]=3 905 B12R0.350 COC(=O)C(SCC(F)F)C(=O)C 62a_100011215331_100011934356 [1,1,0,0,0,0|2,0,0]=4 906 B12R0.350 COC(=O)C(SCC(F)F)C(=O)C 62a_100011934356_100011215331 [1,1,0,0,0,0|2,0,0]=4 907 B12R0.350 COC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100009817552_100011215331 [1,1,0,0,0,0|1,0,0]=3 908 B12R0.350 COC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100011215331_100009817552 [1,1,0,0,0,0|1,0,0]=3 909 B12R0.361 CCCOC(C)(C(=O)C)C(=O)OC 34a_100000042598_100000210303 [1,1,0,0,0,0|1,0,0]=3 910 B12R0.361 COC(=O)C(C)(OCCF)C(=O)C 34a_100000042598_100011217306 [1,1,0,0,0,0|2,0,0]=4 911 B12R0.361 COC(=O)C(C)(OCCO)C(=O)C 34a_100000042598_100000211926 [1,1,0,0,0,0|2,0,0]=4 912 B12R0.361 COC(=O)C(C)(OCSC)C(=O)C 34a_100000042598_100011218213 [1,1,0,0,0,0|2,0,0]=4 913 B12R0.8 CCCC(=O)C(CC)C(=O)OCC 1458a_100000211992_100000212269 [1,1,0,0,0,0|0,0,2]=4 914 B12R0.8 CCCC(=O)C(SC)C(=O)OCC 1458a_100000211992_100009893047 [1,1,0,0,0,0|1,0,1]=4 915 B12R0.8 CCCN(C)C(CC)C(=O)OCC 2230a_100000747261_100000212269 [1,1,0,0,0,0|1,0,1]=4 916 B12R0.8 CCCN(C)C(CC)C(=O)OCC 269982a_100000747261_100000212269 [1,1,0,0,0,0|1,0,1]=4 917 B12R0.8 CCCN(C)C(SC)C(=O)OCC 269982a_100000747261_100009893047 [1,1,0,0,0,0|2,0,0]=4 918 B12R0.11 CCCCC(CCC)C(=O)CCC 1458a_100000211992_100000211913 [1,1,0,0,0,0|1,0,1]=4 919 B12R0.11 CCCCC(NCC)C(=O)OCC 2230a_100015525214_200009813700 [1,1,0,0,0,0|0,0,1]=3 920 B12R0.11 CCCCC(OCC)C(=O)OCC 34a_100121572206_200009813700 [1,1,0,0,0,0|0,0,1]=3 921 B12R0.11 CCCCC(OCC)C(=O)OCC 34a_200011215408_100000210202 [1,1,0,0,0,0|0,0,1]=3 922 B12R0.11 CCCCC(OCC)C(=O)OCC 7a_200011215408_100000210202 [1,1,0,0,0,0|0,0,1]=3 923 B12R0.11 CCCCC(OCF)C(=O)OCC 34a_200011215408_100015361967 [1,1,0,0,0,0|1,0,0]=3 924 B12R0.11 CCCCC(OCF)C(=O)OCC 7a_200011215408_100015361967 [1,1,0,0,0,0|1,0,0]=3 925 B12R0.11 CCCCC(SCC)C(=O)OCC 62a_100000210202_200009813700 [1,1,0,0,0,0|0,0,1]=3 926 B12R0.11 CCCCC(SCC)C(=O)OCC 62a_200009813700_100000210202 [1,1,0,0,0,0|0,0,1]=3 927 B12R0.11 CCCCC(SCF)C(=O)OCC 62a_100015361967_200009813700 [1,1,0,0,0,0|1,0,0]=3 928 B12R0.11 CCCCC(SCF)C(=O)OCC 62a_200009813700_100015361967 [1,1,0,0,0,0|1,0,0]=3 929 B12R0.11 CCCOC(CCC)C(=O)OCC 34a_100000210258_100000695697 [1,1,0,0,0,0|1,0,1]=4 930 B12R0.11 CCCOC(CCC)C(=O)OCC 34a_200011218214_100000210303 [1,1,0,0,0,0|1,0,1]=4 931 B12R0.11 CCCOC(CCC)C(=O)OCC 7a_200011218214_100000210303 [1,1,0,0,0,0|1,0,1]=4 932 B12R0.11 CCCOC(OCC)C(=O)OCC 34a_100000210258_100000033883 [1,1,0,0,0,0|1,0,1]=4 933 B12R0.11 CCCSC(CCC)C(=O)OCC 62a_100000210303_100000695697 [1,1,0,0,0,0|1,0,1]=4 934 B12R0.11 CCCSC(CCC)C(=O)OCC 62a_100000695697_100000210303 [1,1,0,0,0,0|1,0,1]=4 935 B12R0.11 CCCSC(OCC)C(=O)OCC 62a_100000033883_100000210303 [1,1,0,0,0,0|1,0,1]=4 936 B12R0.11 CCCSC(OCC)C(=O)OCC 62a_100000210303_100000033883 [1,1,0,0,0,0|1,0,1]=4 937 B12R0.77 C=C(C)CSC(C=O)C(=O)OCC 62a_100000053139_100000211660 [1,1,0,0,0,0|1,0,1]=4 938 B12R0.77 C=C(C)CSC(C=O)C(=O)OCC 62a_100000748629_100000053139 [1,1,0,0,0,0|1,0,1]=4 939 B12R0.77 CCOC(=O)C(C=O)SCC(C)C 62a_100000053139_100000210760 [1,1,0,0,0,0|1,0,0]=3 940 B12R0.77 CCOC(=O)C(C=O)SCC(C)C 62a_100000210624_100000053139 [1,1,0,0,0,0|1,0,0]=3 941 B12R0.77 CCOC(=O)C(C=O)SCC(C)O 62a_100000053139_100011218427 [1,1,0,0,0,0|1,0,0]=3 942 B12R0.77 CCOC(=O)C(C=O)SCC(C)O 62a_100011218427_100000053139 [1,1,0,0,0,0|1,0,0]=3 943 B12R0.77 CCOC(=O)C(C=O)SCC(F)F 62a_100000053139_100011934356 [1,1,0,0,0,0|2,0,0]=4 944 B12R0.77 CCOC(=O)C(C=O)SCC(F)F 62a_100011934356_100000053139 [1,1,0,0,0,0|2,0,0]=4 945 B12R0.77 CCOC(=O)C(C=O)SC[C@@H](C)O 62a_100000053139_100009817552 [1,1,0,0,0,0|1,0,0]=3 946 B12R0.77 CCOC(=O)C(C=O)SC[C@@H](C)O 62a_100009817552_100000053139 [1,1,0,0,0,0|1,0,0]=3 947 B12R0.77 CCOC(=O)C(CC)NCC(C)C 2230a_100000210953_100000212269 [1,1,0,0,0,0|1,0,1]=4 948 B12R0.77 CCOC(=O)C(CC)NCC(C)C 34a_100000210953_100000212269 [1,1,0,0,0,0|1,0,1]=4 949 B12R0.77 CCOC(=O)C(CC)NCC(C)O 2230a_100000210904_100000212269 [1,1,0,0,0,0|1,0,1]=4 950 B12R0.77 CCOC(=O)C(CC)NCC(C)O 34a_100000210904_100000212269 [1,1,0,0,0,0|1,0,1]=4 951 B12R0.77 CCOC(=O)C(CC)OCC(C)Br 34a_100012180447_100000212269 [1,1,0,0,0,0|1,0,1]=4 952 B12R0.77 CCOC(=O)C(CC)OCC(C)C 34a_100000210257_100000212269 [1,1,0,0,0,0|1,0,1]=4 953 B12R0.77 CCOC(=O)C(CC)OCC(C)C 34a_100011216719_100000210624 [1,1,0,0,0,0|1,0,1]=4 954 B12R0.77 CCOC(=O)C(CC)OCC(C)C 7a_100011216719_100000210760 [1,1,0,0,0,0|1,0,1]=4 955 B12R0.77 CCOC(=O)C(CC)OCC(C)F 34a_100015925927_100000212269 [1,1,0,0,0,0|1,0,1]=4 956 B12R0.77 CCOC(=O)C(CC)OCC(C)O 34a_100011216719_100011218427 [1,1,0,0,0,0|1,0,1]=4 957 B12R0.77 CCOC(=O)C(CC)OCC(C)O 7a_100011216719_100011218427 [1,1,0,0,0,0|1,0,1]=4 958 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)Cl 34a_100016084084_100000212269 [1,1,0,0,0,0|1,0,1]=4 959 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)N 34a_100000737577_100000212269 [1,1,0,0,0,0|1,0,1]=4 960 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)O 34a_100011216719_100009817552 [1,1,0,0,0,0|1,0,1]=4 961 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)O 7a_100011216719_100009817552 [1,1,0,0,0,0|1,0,1]=4 962 B12R0.77 CCOC(=O)C(CC)SCC(C)C 62a_100000210624_100000212269 [1,1,0,0,0,0|1,0,1]=4 963 B12R0.77 CCOC(=O)C(CC)SCC(C)C 62a_100000212269_100000210760 [1,1,0,0,0,0|1,0,1]=4 964 B12R0.77 CCOC(=O)C(CC)SCC(C)O 62a_100000212269_100011218427 [1,1,0,0,0,0|1,0,1]=4 965 B12R0.77 CCOC(=O)C(CC)SCC(C)O 62a_100011218427_100000212269 [1,1,0,0,0,0|1,0,1]=4 966 B12R0.77 CCOC(=O)C(CC)SC[C@@H](C)O 62a_100000212269_100009817552 [1,1,0,0,0,0|1,0,1]=4 967 B12R0.77 CCOC(=O)C(CC)SC[C@@H](C)O 62a_100009817552_100000212269 [1,1,0,0,0,0|1,0,1]=4 968 B12R0.77 CCOC(=O)C(NCC(C)C)SC 34a_100000210953_100009893047 [1,1,0,0,0,0|2,0,0]=4 969 B12R0.77 CCOC(=O)C(NCC(C)O)SC 34a_100000210904_100009893047 [1,1,0,0,0,0|2,0,0]=4 970 B12R0.77 CCOC(=O)C(OCC(C)Br)SC 34a_100012180447_100009893047 [1,1,0,0,0,0|2,0,0]=4 971 B12R0.77 CCOC(=O)C(OCC(C)C)SC 34a_100000210257_100009893047 [1,1,0,0,0,0|2,0,0]=4 972 B12R0.77 CCOC(=O)C(OCC(C)F)SC 34a_100015925927_100009893047 [1,1,0,0,0,0|2,0,0]=4 973 B12R0.77 CCOC(=O)C(OC[C@@H](C)Cl)SC 34a_100016084084_100009893047 [1,1,0,0,0,0|2,0,0]=4 974 B12R0.77 CCOC(=O)C(OC[C@@H](C)N)SC 34a_100000737577_100009893047 [1,1,0,0,0,0|2,0,0]=4 975 B12R0.77 CCOC(=O)C(SC)SCC(C)C 62a_100000210624_100009893047 [1,1,0,0,0,0|2,0,0]=4 976 B12R0.77 CCOC(=O)C(SC)SCC(C)C 62a_100009893047_100000210760 [1,1,0,0,0,0|2,0,0]=4 977 B12R0.77 CCOC(=O)C(SC)SCC(C)O 62a_100009893047_100011218427 [1,1,0,0,0,0|2,0,0]=4 978 B12R0.77 CCOC(=O)C(SC)SCC(C)O 62a_100011218427_100009893047 [1,1,0,0,0,0|2,0,0]=4 979 B12R0.77 CCOC(=O)C(SC)SC[C@@H](C)O 62a_100009817552_100009893047 [1,1,0,0,0,0|2,0,0]=4 980 B12R0.77 CCOC(=O)C(SC)SC[C@@H](C)O 62a_100009893047_100009817552 [1,1,0,0,0,0|2,0,0]=4 981 B12R0.80 CCOC(=O)C(C=O)SC(C)CC 62a_100000053139_100000758301 [1,1,0,0,0,0|1,0,0]=3 982 B12R0.80 CCOC(=O)C(C=O)SC(C)CC 62a_100000758301_100000053139 [1,1,0,0,0,0|1,0,0]=3 983 B12R0.80 CCOC(=O)C(C=O)SC(C)CO 62a_100012180447_100000053139 [1,1,0,0,0,0|2,0,0]=4 984 B12R0.80 CCOC(=O)C(C=O)SC(C)OC 62a_100000053139_100009879195 [1,1,0,0,0,0|2,0,0]=4 985 B12R0.80 CCOC(=O)C(C=O)SC(C)OC 62a_100009879195_100000053139 [1,1,0,0,0,0|2,0,0]=4 986 B12R0.80 CCOC(=O)C(C=O)S[C@H](C)CO 62a_100000053139_100016084084 [1,1,0,0,0,0|2,0,0]=4 987 B12R0.80 CCOC(=O)C(C=O)S[C@H](C)CO 62a_100016084084_100000053139 [1,1,0,0,0,0|2,0,0]=4 988 B12R0.80 CCOC(=O)C(CC)NC(C)CC 2230a_100000209981_100000212269 [1,1,0,0,0,0|1,0,1]=4 989 B12R0.80 CCOC(=O)C(CC)OC(C)CC 34a_100011216719_100011215416 [1,1,0,0,0,0|1,0,1]=4 990 B12R0.80 CCOC(=O)C(CC)OC(C)CC 7a_100000210228_100000212269 [1,1,0,0,0,0|1,0,1]=4 991 B12R0.80 CCOC(=O)C(CC)OC(C)CC 7a_100011216719_100000758301 [1,1,0,0,0,0|1,0,1]=4 992 B12R0.80 CCOC(=O)C(CC)SC(C)CC 62a_100000212269_100000758301 [1,1,0,0,0,0|1,0,1]=4 993 B12R0.80 CCOC(=O)C(CC)SC(C)CC 62a_100000758301_100000212269 [1,1,0,0,0,0|1,0,1]=4 994 B12R0.80 CCOC(=O)C(SC)SC(C)CC 62a_100000758301_100009893047 [1,1,0,0,0,0|2,0,0]=4 995 B12R0.80 CCOC(=O)C(SC)SC(C)CC 62a_100009893047_100000758301 [1,1,0,0,0,0|2,0,0]=4 996 B12R0.215 CCCCC(CC)C(=O)CC(C)C 1458a_100000210554_200011216223 [1,1,0,0,0,0|1,0,1]=4 997 B12R0.215 CCCCC(CC)C(=O)CC(C)C 1458a_100000211130_100000210624 [1,1,0,0,0,0|1,0,1]=4 998 B12R0.215 CCCCC(CC)C(=O)CC(C)O 1458a_100000211130_100011218427 [1,1,0,0,0,0|1,0,1]=4 999 B12R0.215 CCCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_200011216223 [1,1,0,0,0,0|1,0,1]=4 1000 B12R0.215 CCCCC(CC)C(=O)NC(C)C 11a_100138425928_100000211130 [1,1,0,0,0,0|1,0,1]=4 1001 B12R0.215 CCCCC(CC)C(=O)NC(C)C 1626a_100138425928_100000211130 [1,1,0,0,0,0|1,0,1]=4 1002 B12R0.215 CCCCC(CC)C(=O)NC(C)C 240690a_100138425928_100000211130 [1,1,0,0,0,0|1,0,1]=4 1003 B12R0.215 CCCCC(CC)C(=O)NC(C)C 527a_100138425928_100000211130 [1,1,0,0,0,0|1,0,1]=4 1004 B12R0.290 CCCCC(CC)C(=O)C(C)CC 1458a_100000211130_100000758301 [1,1,0,0,0,0|1,0,1]=4 1005 B12R0.290 CCCCC(CC)C(=O)C(C)CC 1458a_100011192722_200011216223 [1,1,0,0,0,0|1,0,1]=4 1006 B12R0.290 CCCCC(CC)C(=O)C(O)CC 1458a_100011196387_200011216223 [1,1,0,0,0,0|1,0,1]=4 1007 B12R0.290 CCCCC(CC)C(=O)N(C)CC 11a_100000225621_100000211130 [1,1,0,0,0,0|1,0,1]=4 1008 B12R0.290 CCCCC(CC)C(=O)N(C)CC 1626a_100000225621_100000211130 [1,1,0,0,0,0|1,0,1]=4 1009 B12R0.290 CCCCC(CC)C(=O)N(C)CC 240690a_100000225621_100000211130 [1,1,0,0,0,0|1,0,1]=4 1010 B12R0.290 CCCCC(CC)C(=O)N(C)CC 527a_100000225621_100000211130 [1,1,0,0,0,0|1,0,1]=4 1011 B12R0.351 CCC#CC(=O)C(CC)CCCC 1458a_100011827653_200011216223 [1,1,0,0,0,0|1,0,1]=4 1012 B12R0.351 CCC=CC(=O)C(CC)CCCC 1458a_100000212282_200011216223 [1,1,0,0,0,0|1,0,1]=4 1013 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000210183_200011216223 [1,1,0,0,0,0|1,0,1]=4 1014 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000211130_100000210211 [1,1,0,0,0,0|1,0,1]=4 1015 B12R0.351 CCCCC(=O)C(CCCC)OC 34a_200000040183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1016 B12R0.351 CCCCC(=O)C(CCCC)OC 7a_200000040183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1017 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 34a_200000040183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1018 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 7a_200000040183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1019 B12R0.351 CCCCC(CC)C(=O)CCCF 1458a_100000211130_100011934791 [1,1,0,0,0,0|1,0,1]=4 1020 B12R0.351 CCCCC(CC)C(=O)CCCO 1458a_100000211130_100011215043 [1,1,0,0,0,0|1,0,1]=4 1021 B12R0.351 CCCCC(CC)C(=O)CCOC 1458a_100000211130_100000233755 [1,1,0,0,0,0|1,0,1]=4 1022 B12R0.351 CCCCC(CC)C(=O)CCOC 1458a_100000749529_200011216223 [1,1,0,0,0,0|1,0,1]=4 1023 B12R0.351 CCCCC(CC)C(=O)CCSC 1458a_100000174002_200011216223 [1,1,0,0,0,0|1,0,1]=4 1024 B12R0.351 CCCCC(CC)C(=O)CCSC 1458a_100000211130_100000751147 [1,1,0,0,0,0|1,0,1]=4 1025 B12R0.351 CCCCC(CC)C(=O)COCC 1458a_100000211967_200011216223 [1,1,0,0,0,0|0,0,1]=3 1026 B12R0.351 CCCCC(CC)C(=O)CSCC 1458a_100000230394_200011216223 [1,1,0,0,0,0|0,1,1]=4 1027 B12R0.351 CCCCC(CC)C(=O)NCCC 11a_100020643023_100000211130 [1,1,0,0,0,0|1,0,1]=4 1028 B12R0.351 CCCCC(CC)C(=O)NCCC 1626a_100020643023_100000211130 [1,1,0,0,0,0|1,0,1]=4 1029 B12R0.351 CCCCC(CC)C(=O)NCCC 240690a_100020643023_100000211130 [1,1,0,0,0,0|1,0,1]=4 1030 B12R0.351 CCCCC(CC)C(=O)NCCC 527a_100020643023_100000211130 [1,1,0,0,0,0|1,0,1]=4 1031 B12R0.351 CCCCC(CC)C(=O)NCCF 11a_100000724931_100000211130 [1,1,0,0,0,0|1,0,1]=4 1032 B12R0.351 CCCCC(CC)C(=O)NCCF 1626a_100000724931_100000211130 [1,1,0,0,0,0|1,0,1]=4 1033 B12R0.351 CCCCC(CC)C(=O)NCCF 240690a_100000724931_100000211130 [1,1,0,0,0,0|1,0,1]=4 1034 B12R0.351 CCCCC(CC)C(=O)NCCF 527a_100000724931_100000211130 [1,1,0,0,0,0|1,0,1]=4 1035 B12R0.351 CCCCC(CC)C(=O)NCCO 240690a_100000210304_100000211130 [1,1,0,0,0,0|1,0,1]=4 1036 B12R0.351 CCCCC(CC)C(=O)NCCO 527a_100000210304_100000211130 [1,1,0,0,0,0|1,0,1]=4 1037 B12R0.351 CCCCC(CC)C(=O)NNCC 22a_100000756455_100000211130 [1,1,0,0,0,0|1,0,1]=4 1038 B12R0.351 CCCCN(CC)C(=O)COCC 11a_100000207695_100000211967 [1,1,0,0,0,0|1,0,1]=4 1039 B12R0.351 CCCCN(CC)C(=O)COCC 1626a_100000207695_100000211967 [1,1,0,0,0,0|1,0,1]=4 1040 B12R0.351 CCCCN(CC)C(=O)COCC 240690a_100000207695_100000211967 [1,1,0,0,0,0|1,0,1]=4 1041 B12R0.351 CCCCN(CC)C(=O)COCC 34a_100121572206_100000230192 [1,1,0,0,0,0|1,0,1]=4 1042 B12R0.351 CCCCN(CC)C(=O)COCC 527a_100000207695_100000211967 [1,1,0,0,0,0|1,0,1]=4 1043 B12R0.363 C#CCCSC(C=O)C(=O)OCC 62a_100000053139_100000688953 [1,1,0,0,0,0|0,0,2]=4 1044 B12R0.363 C#CCCSC(C=O)C(=O)OCC 62a_100000688953_100000053139 [1,1,0,0,0,0|0,0,2]=4 1045 B12R0.363 C/C=C/CSC(C=O)C(=O)OCC 62a_100000053139_100102629194 [1,1,0,0,0,0|0,0,2]=4 1046 B12R0.363 C/C=C/CSC(C=O)C(=O)OCC 62a_100102629194_100000053139 [1,1,0,0,0,0|0,0,2]=4 1047 B12R0.363 C=CCCSC(C=O)C(=O)OCC 62a_100000053139_100000754431 [1,1,0,0,0,0|0,0,2]=4 1048 B12R0.363 C=CCCSC(C=O)C(=O)OCC 62a_100000754431_100000053139 [1,1,0,0,0,0|0,0,2]=4 1049 B12R0.363 CC#CCSC(C=O)C(=O)OCC 62a_100000053139_100000748600 [1,1,0,0,0,0|0,0,2]=4 1050 B12R0.363 CC#CCSC(C=O)C(=O)OCC 62a_100000748600_100000053139 [1,1,0,0,0,0|0,0,2]=4 1051 B12R0.363 CC=CCSC(C=O)C(=O)OCC 62a_100000053139_100000070051 [1,1,0,0,0,0|0,0,2]=4 1052 B12R0.363 CC=CCSC(C=O)C(=O)OCC 62a_100000070051_100000053139 [1,1,0,0,0,0|0,0,2]=4 1053 B12R0.363 CCCCCC(CC)C(=O)CCC 1458a_100000697129_100000210303 [1,1,0,0,0,0|1,0,1]=4 1054 B12R0.363 CCCCCC(CC)C(=O)NCC 11a_100015525214_100000697129 [1,1,0,0,0,0|1,0,1]=4 1055 B12R0.363 CCCCCC(CC)C(=O)NCC 240690a_100015525214_100000697129 [1,1,0,0,0,0|1,0,1]=4 1056 B12R0.363 CCCCCC(CC)C(=O)NCC 527a_100015525214_100000697129 [1,1,0,0,0,0|1,0,1]=4 1057 B12R0.363 CCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813352 [1,1,0,0,0,0|1,0,0]=3 1058 B12R0.363 CCCCCC(NC)C(=O)OCC 34a_100102657272_200009813352 [1,1,0,0,0,0|1,0,0]=3 1059 B12R0.363 CCCCCC(NC)C(=O)OCC 7a_106832991635_200009813352 [1,1,0,0,0,0|1,0,0]=3 1060 B12R0.363 CCCCCC(OC)C(=O)OCC 34a_100138415774_200009813352 [1,1,0,0,0,0|1,0,0]=3 1061 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200000210301_200009813352 [1,1,0,0,0,0|1,0,0]=3 1062 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200009813352_200000210301 [1,1,0,0,0,0|1,0,0]=3 1063 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200009813352_200025704644 [1,1,0,0,0,0|1,0,0]=3 1064 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813352 [1,1,0,0,0,0|1,0,0]=3 1065 B12R0.363 CCCCNC(CC)C(=O)OCC 2230a_100000102301_100000212269 [1,1,0,0,0,0|0,0,1]=3 1066 B12R0.363 CCCCNC(CC)C(=O)OCC 7a_106832991798_100000212269 [1,1,0,0,0,0|0,0,1]=3 1067 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100000210227_100000212269 [1,1,0,0,0,0|0,0,1]=3 1068 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100011216719_100000210210 [1,1,0,0,0,0|0,0,1]=3 1069 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100000210227_100000212269 [1,1,0,0,0,0|0,0,1]=3 1070 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100011216719_100000210211 [1,1,0,0,0,0|0,0,1]=3 1071 B12R0.363 CCCCOC(SC)C(=O)OCC 34a_100000210227_100009893047 [1,1,0,0,0,0|1,0,0]=3 1072 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210210 [1,1,0,0,0,0|0,0,0]=2 1073 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000210211_100000053139 [1,1,0,0,0,0|0,0,0]=2 1074 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000210211_100000212269 [1,1,0,0,0,0|0,0,1]=3 1075 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000212269_100000210210 [1,1,0,0,0,0|0,0,1]=3 1076 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100000210211_100009893047 [1,1,0,0,0,0|1,0,0]=3 1077 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100009893047_100000210210 [1,1,0,0,0,0|1,0,0]=3 1078 B12R0.363 CCOC(=O)C(C=O)SCCC#N 62a_100000053139_100011215226 [1,1,0,0,0,0|1,0,1]=4 1079 B12R0.363 CCOC(=O)C(C=O)SCCC#N 62a_100011215226_100000053139 [1,1,0,0,0,0|1,0,1]=4 1080 B12R0.363 CCOC(=O)C(C=O)SCCCF 62a_100000053139_100011934791 [1,1,0,0,0,0|1,0,0]=3 1081 B12R0.363 CCOC(=O)C(C=O)SCCCF 62a_100011934791_100000053139 [1,1,0,0,0,0|1,0,0]=3 1082 B12R0.363 CCOC(=O)C(C=O)SCCCO 62a_100000053139_100011215043 [1,1,0,0,0,0|1,0,0]=3 1083 B12R0.363 CCOC(=O)C(C=O)SCCCO 62a_100011215043_100000053139 [1,1,0,0,0,0|1,0,0]=3 1084 B12R0.363 CCOC(=O)C(C=O)SCCOC 62a_100000053139_100000233755 [1,1,0,0,0,0|1,0,0]=3 1085 B12R0.363 CCOC(=O)C(C=O)SCCOC 62a_100000233755_100000053139 [1,1,0,0,0,0|1,0,0]=3 1086 B12R0.363 CCOC(=O)C(C=O)SCCSC 62a_100000053139_100000751147 [1,1,0,0,0,0|1,0,0]=3 1087 B12R0.363 CCOC(=O)C(C=O)SCCSC 62a_100000212216_100000053139 [1,1,0,0,0,0|1,0,0]=3 1088 B12R0.363 CCOC(=O)C(CC)NCCCF 2230a_100015189416_100000212269 [1,1,0,0,0,0|1,0,1]=4 1089 B12R0.363 CCOC(=O)C(CC)NCCCF 34a_100015189416_100000212269 [1,1,0,0,0,0|1,0,1]=4 1090 B12R0.363 CCOC(=O)C(CC)NCCOC 2230a_100000209980_100000212269 [1,1,0,0,0,0|1,0,1]=4 1091 B12R0.363 CCOC(=O)C(CC)NCCSC 2230a_100020590264_100000212269 [1,1,0,0,0,0|1,0,1]=4 1092 B12R0.363 CCOC(=O)C(CC)OCCCBr 34a_100011217188_100000212269 [1,1,0,0,0,0|1,0,1]=4 1093 B12R0.363 CCOC(=O)C(CC)OCCCCl 34a_100000230001_100000212269 [1,1,0,0,0,0|1,0,1]=4 1094 B12R0.363 CCOC(=O)C(CC)OCCCF 34a_100000759539_100000212269 [1,1,0,0,0,0|1,0,1]=4 1095 B12R0.363 CCOC(=O)C(CC)OCCCF 34a_100011216719_100011934791 [1,1,0,0,0,0|1,0,1]=4 1096 B12R0.363 CCOC(=O)C(CC)OCCCF 7a_100011216719_100011934791 [1,1,0,0,0,0|1,0,1]=4 1097 B12R0.363 CCOC(=O)C(CC)OCCCN 34a_100000182051_100000212269 [1,1,0,0,0,0|1,0,1]=4 1098 B12R0.363 CCOC(=O)C(CC)OCCCO 34a_100011216719_100000230001 [1,1,0,0,0,0|1,0,1]=4 1099 B12R0.363 CCOC(=O)C(CC)OCCCO 7a_100011216719_100011215043 [1,1,0,0,0,0|1,0,1]=4 1100 B12R0.363 CCOC(=O)C(CC)OCCOC 34a_100000210237_100000212269 [1,1,0,0,0,0|1,0,1]=4 1101 B12R0.363 CCOC(=O)C(CC)OCCOC 34a_100011216719_100011201679 [1,1,0,0,0,0|1,0,1]=4 1102 B12R0.363 CCOC(=O)C(CC)OCCOC 7a_100011216719_100000233755 [1,1,0,0,0,0|1,0,1]=4 1103 B12R0.363 CCOC(=O)C(CC)OCCSC 34a_100000230434_100000212269 [1,1,0,0,0,0|1,0,1]=4 1104 B12R0.363 CCOC(=O)C(CC)OCCSC 34a_100011216719_100000212216 [1,1,0,0,0,0|1,0,1]=4 1105 B12R0.363 CCOC(=O)C(CC)OCCSC 7a_100000230434_100000212269 [1,1,0,0,0,0|1,0,1]=4 1106 B12R0.363 CCOC(=O)C(CC)OCCSC 7a_100011216719_100000212216 [1,1,0,0,0,0|1,0,1]=4 1107 B12R0.363 CCOC(=O)C(CC)SCCCF 62a_100000212269_100011934791 [1,1,0,0,0,0|1,0,1]=4 1108 B12R0.363 CCOC(=O)C(CC)SCCCF 62a_100011934791_100000212269 [1,1,0,0,0,0|1,0,1]=4 1109 B12R0.363 CCOC(=O)C(CC)SCCCO 62a_100000212269_100011215043 [1,1,0,0,0,0|1,0,1]=4 1110 B12R0.363 CCOC(=O)C(CC)SCCCO 62a_100011215043_100000212269 [1,1,0,0,0,0|1,0,1]=4 1111 B12R0.363 CCOC(=O)C(CC)SCCOC 62a_100000212269_100000233755 [1,1,0,0,0,0|1,0,1]=4 1112 B12R0.363 CCOC(=O)C(CC)SCCOC 62a_100000233755_100000212269 [1,1,0,0,0,0|1,0,1]=4 1113 B12R0.363 CCOC(=O)C(CC)SCCSC 62a_100000212216_100000212269 [1,1,0,0,0,0|1,0,1]=4 1114 B12R0.363 CCOC(=O)C(CC)SCCSC 62a_100000212269_100000751147 [1,1,0,0,0,0|1,0,1]=4 1115 B12R0.363 CCOC(=O)C(NCCCF)SC 34a_100015189416_100009893047 [1,1,0,0,0,0|2,0,0]=4 1116 B12R0.363 CCOC(=O)C(OCCCBr)SC 34a_100011217188_100009893047 [1,1,0,0,0,0|2,0,0]=4 1117 B12R0.363 CCOC(=O)C(OCCCCl)SC 34a_100000230001_100009893047 [1,1,0,0,0,0|2,0,0]=4 1118 B12R0.363 CCOC(=O)C(OCCCF)SC 34a_100000759539_100009893047 [1,1,0,0,0,0|2,0,0]=4 1119 B12R0.363 CCOC(=O)C(OCCCN)SC 34a_100000182051_100009893047 [1,1,0,0,0,0|2,0,0]=4 1120 B12R0.363 CCOC(=O)C(OCCOC)SC 34a_100000210237_100009893047 [1,1,0,0,0,0|2,0,0]=4 1121 B12R0.363 CCOC(=O)C(OCCSC)SC 34a_100000230434_100009893047 [1,1,0,0,0,0|2,0,0]=4 1122 B12R0.363 CCOC(=O)C(SC)SCCCF 62a_100009893047_100011934791 [1,1,0,0,0,0|2,0,0]=4 1123 B12R0.363 CCOC(=O)C(SC)SCCCF 62a_100011934791_100009893047 [1,1,0,0,0,0|2,0,0]=4 1124 B12R0.363 CCOC(=O)C(SC)SCCCO 62a_100009893047_100011215043 [1,1,0,0,0,0|2,0,0]=4 1125 B12R0.363 CCOC(=O)C(SC)SCCCO 62a_100011215043_100009893047 [1,1,0,0,0,0|2,0,0]=4 1126 B12R0.363 CCOC(=O)C(SC)SCCOC 62a_100000233755_100009893047 [1,1,0,0,0,0|2,0,0]=4 1127 B12R0.363 CCOC(=O)C(SC)SCCOC 62a_100009893047_100000233755 [1,1,0,0,0,0|2,0,0]=4 1128 B12R0.363 CCOC(=O)C(SC)SCCSC 62a_100000212216_100009893047 [1,1,0,0,0,0|2,0,0]=4 1129 B12R0.363 CCOC(=O)C(SC)SCCSC 62a_100009893047_100000751147 [1,1,0,0,0,0|2,0,0]=4 1130 B12R0.363 CCOCSC(C=O)C(=O)OCC 62a_100000053139_100000739092 [1,1,0,0,0,0|1,0,0]=3 1131 B12R0.363 CCOCSC(C=O)C(=O)OCC 62a_100000739092_100000053139 [1,1,0,0,0,0|1,0,0]=3 1132 B12R0.363 CCOCSC(CC)C(=O)OCC 62a_100000212269_100000739092 [1,1,0,0,0,0|1,0,1]=4 1133 B12R0.363 CCOCSC(CC)C(=O)OCC 62a_100000739092_100000212269 [1,1,0,0,0,0|1,0,1]=4 1134 B12R0.363 CCOCSC(SC)C(=O)OCC 62a_100000739092_100009893047 [1,1,0,0,0,0|2,0,0]=4 1135 B12R0.363 CCOCSC(SC)C(=O)OCC 62a_100009893047_100000739092 [1,1,0,0,0,0|2,0,0]=4 1136 B14R0.123 CCCC(=O)[C@H](CCS(=O)C)NC(=O)C 1458a_200020641884_100000210303 [0,1,0,0,0,1|2,0,0]=4 1137 B14R0.123 CCNC(=O)[C@H](CCS(=O)C)NC(=O)C 240690a_100015525214_200020641884 [0,1,0,0,0,1|2,0,0]=4 1138 B14R0.123 CCNC(=O)[C@H](CCS(=O)C)NC(=O)C 527a_100015525214_200020641884 [0,1,0,0,0,1|2,0,0]=4 1139 B14R0.147 C#CCCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000753159 [0,1,0,0,0,1|1,0,1]=4 1140 B14R0.147 C#CCNC(=O)C(CCCC)NC(=O)C 11a_100000212058_100000194794 [0,1,0,0,0,1|1,0,1]=4 1141 B14R0.147 C#CCNC(=O)C(CCCC)NC(=O)C 1626a_100000212058_100000194794 [0,1,0,0,0,1|1,0,1]=4 1142 B14R0.147 C#CCNC(=O)C(CCCC)NC(=O)C 240690a_100000212058_100000194794 [0,1,0,0,0,1|1,0,1]=4 1143 B14R0.147 C#CCNC(=O)C(CCCC)NC(=O)C 527a_100000212058_100000194794 [0,1,0,0,0,1|1,0,1]=4 1144 B14R0.147 C/C=C/CC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100102629194 [0,1,0,0,0,1|1,0,1]=4 1145 B14R0.147 C=CCCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000754431 [0,1,0,0,0,1|1,0,1]=4 1146 B14R0.147 C=CCNC(=O)C(CCCC)NC(=O)C 1626a_100020586998_100000194794 [0,1,0,0,0,1|1,0,1]=4 1147 B14R0.147 C=CCNC(=O)C(CCCC)NC(=O)C 240690a_100020586998_100000194794 [0,1,0,0,0,1|1,0,1]=4 1148 B14R0.147 C=CCNC(=O)C(CCCC)NC(=O)C 527a_100020586998_100000194794 [0,1,0,0,0,1|1,0,1]=4 1149 B14R0.147 CC#CCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000748600 [0,1,0,0,0,1|1,0,1]=4 1150 B14R0.147 CC=CCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000070051 [0,1,0,0,0,1|1,0,1]=4 1151 B14R0.147 CCCCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000210211 [0,1,0,0,0,1|1,0,0]=3 1152 B14R0.147 CCCCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000210211 [0,1,0,0,0,1|2,0,0]=4 1153 B14R0.147 CCCCC(NC(=O)C)C(=O)CCC#N 1458a_100000194794_100011215226 [0,1,0,0,0,1|1,0,1]=4 1154 B14R0.147 CCCCC(NC(=O)C)C(=O)CCCF 1458a_100000194794_100011934791 [0,1,0,0,0,1|1,0,0]=3 1155 B14R0.147 CCCCC(NC(=O)C)C(=O)CCCO 1458a_100000194794_100011215043 [0,1,0,0,0,1|1,0,0]=3 1156 B14R0.147 CCCCC(NC(=O)C)C(=O)CCOC 1458a_100000194794_100000233755 [0,1,0,0,0,1|1,0,0]=3 1157 B14R0.147 CCCCC(NC(=O)C)C(=O)CCSC 1458a_100000194794_100000751147 [0,1,0,0,0,1|1,0,0]=3 1158 B14R0.147 CCCCC(NC(=O)C)C(=O)NCC#N 1626a_100000734998_100000194794 [0,1,0,0,0,1|1,0,1]=4 1159 B14R0.147 CCCCC(NC(=O)C)C(=O)NCC#N 527a_100000734998_100000194794 [0,1,0,0,0,1|1,0,1]=4 1160 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCC 11a_100020643023_100000194794 [0,1,0,0,0,1|1,0,0]=3 1161 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCC 1626a_100020643023_100000194794 [0,1,0,0,0,1|1,0,0]=3 1162 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCC 240690a_100020643023_100000194794 [0,1,0,0,0,1|1,0,0]=3 1163 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCC 527a_100020643023_100000194794 [0,1,0,0,0,1|1,0,0]=3 1164 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCF 11a_100000724931_100000194794 [0,1,0,0,0,1|1,0,0]=3 1165 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCF 1626a_100000724931_100000194794 [0,1,0,0,0,1|1,0,0]=3 1166 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCF 240690a_100000724931_100000194794 [0,1,0,0,0,1|1,0,0]=3 1167 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCF 527a_100000724931_100000194794 [0,1,0,0,0,1|1,0,0]=3 1168 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCO 240690a_100000210304_100000194794 [0,1,0,0,0,1|1,0,0]=3 1169 B14R0.147 CCCCC(NC(=O)C)C(=O)NCCO 527a_100000210304_100000194794 [0,1,0,0,0,1|1,0,0]=3 1170 B14R0.147 CCCCC(NC(=O)C)C(=O)NNCC 22a_100000756455_100000194794 [0,1,0,0,0,1|1,0,0]=3 1171 B14R0.147 CCCNC(=O)[C@@H](CCSC)NC(=O)C 11a_100020643023_100011933958 [0,1,0,0,0,1|2,0,0]=4 1172 B14R0.147 CCCNC(=O)[C@@H](CCSC)NC(=O)C 1626a_100020643023_100011933958 [0,1,0,0,0,1|2,0,0]=4 1173 B14R0.147 CCCNC(=O)[C@@H](CCSC)NC(=O)C 240690a_100020643023_100011933958 [0,1,0,0,0,1|2,0,0]=4 1174 B14R0.147 CCCNC(=O)[C@@H](CCSC)NC(=O)C 527a_100020643023_100011933958 [0,1,0,0,0,1|2,0,0]=4 1175 B14R0.147 CCNNC(=O)[C@@H](CCSC)NC(=O)C 22a_100000756455_100011933958 [0,1,0,0,0,1|2,0,0]=4 1176 B14R0.147 COCCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000233755 [0,1,0,0,0,1|2,0,0]=4 1177 B14R0.147 CSCCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000751147 [0,1,0,0,0,1|2,0,0]=4 1178 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)CCCF 1458a_100011933958_100011934791 [0,1,0,0,0,1|2,0,0]=4 1179 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)CCCO 1458a_100011933958_100011215043 [0,1,0,0,0,1|2,0,0]=4 1180 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)NCCF 11a_100000724931_100011933958 [0,1,0,0,0,1|2,0,0]=4 1181 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)NCCF 1626a_100000724931_100011933958 [0,1,0,0,0,1|2,0,0]=4 1182 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)NCCF 240690a_100000724931_100011933958 [0,1,0,0,0,1|2,0,0]=4 1183 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)NCCF 527a_100000724931_100011933958 [0,1,0,0,0,1|2,0,0]=4 1184 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)NCCO 240690a_100000210304_100011933958 [0,1,0,0,0,1|2,0,0]=4 1185 B14R0.147 CSCC[C@@H](NC(=O)C)C(=O)NCCO 527a_100000210304_100011933958 [0,1,0,0,0,1|2,0,0]=4 1186 B14R0.191 CCC(C)C(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000758301 [0,1,0,0,0,1|2,0,0]=4 1187 B14R0.191 CCCCC(NC(=O)C)C(=O)C(C)CC 1458a_100000194794_100000758301 [0,1,0,0,0,1|1,0,0]=3 1188 B14R0.191 CCCCC(NC(=O)C)C(=O)N(C)CC 11a_100000225621_100000194794 [0,1,0,0,0,1|1,0,0]=3 1189 B14R0.191 CCCCC(NC(=O)C)C(=O)N(C)CC 1626a_100000225621_100000194794 [0,1,0,0,0,1|1,0,0]=3 1190 B14R0.191 CCCCC(NC(=O)C)C(=O)N(C)CC 240690a_100000225621_100000194794 [0,1,0,0,0,1|1,0,0]=3 1191 B14R0.191 CCCCC(NC(=O)C)C(=O)N(C)CC 527a_100000225621_100000194794 [0,1,0,0,0,1|1,0,0]=3 1192 B14R0.191 CCN(C)C(=O)[C@@H](CCSC)NC(=O)C 11a_100000225621_100011933958 [0,1,0,0,0,1|2,0,0]=4 1193 B14R0.191 CCN(C)C(=O)[C@@H](CCSC)NC(=O)C 1626a_100000225621_100011933958 [0,1,0,0,0,1|2,0,0]=4 1194 B14R0.191 CCN(C)C(=O)[C@@H](CCSC)NC(=O)C 240690a_100000225621_100011933958 [0,1,0,0,0,1|2,0,0]=4 1195 B14R0.191 CCN(C)C(=O)[C@@H](CCSC)NC(=O)C 527a_100000225621_100011933958 [0,1,0,0,0,1|2,0,0]=4 1196 B14R0.258 CCCCCC(NC(C)C)C(=O)OCC 2230a_100138425928_200009813352 [0,1,0,0,0,1|1,0,1]=4 1197 B14R0.258 CCCCCC(NC(C)C)C(=O)OCC 34a_100138425928_200009813352 [0,1,0,0,0,1|1,0,1]=4 1198 B14R0.258 CCCCCC(OC(C)C)C(=O)OCC 34a_100000212225_200009813352 [0,1,0,0,0,1|1,0,1]=4 1199 B14R0.258 CCCCCC(SC(C)C)C(=O)OCC 62a_100000210206_200009813352 [0,1,0,0,0,1|1,0,1]=4 1200 B14R0.258 CCCCCC(SC(C)C)C(=O)OCC 62a_200009813352_100000210206 [0,1,0,0,0,1|1,0,1]=4 1201 B14R0.258 CCCCNC(CC(C)C)C(=O)OCC 2230a_100000102301_100010269446 [0,1,0,0,0,1|1,0,1]=4 1202 B14R0.258 CCCCNC(CC(C)C)C(=O)OCC 7a_106832991798_100010269446 [0,1,0,0,0,1|1,0,1]=4 1203 B14R0.258 CCCCOC(CC(C)C)C(=O)OCC 34a_100000210227_100010269446 [0,1,0,0,0,1|1,0,1]=4 1204 B14R0.258 CCCCOC(CC(C)C)C(=O)OCC 34a_100011626094_100000210210 [0,1,0,0,0,1|1,0,1]=4 1205 B14R0.258 CCCCOC(CC(C)C)C(=O)OCC 7a_100000210227_100010269446 [0,1,0,0,0,1|1,0,1]=4 1206 B14R0.258 CCCCOC(CC(C)C)C(=O)OCC 7a_100011626094_100000210211 [0,1,0,0,0,1|1,0,1]=4 1207 B14R0.258 CCCCSC(CC(C)C)C(=O)OCC 62a_100000210211_100010269446 [0,1,0,0,0,1|1,0,1]=4 1208 B14R0.258 CCCCSC(CC(C)C)C(=O)OCC 62a_100010269446_100000210210 [0,1,0,0,0,1|1,0,1]=4 1209 B14R0.1085 C=C(C)C(=O)C(CCCC)C(=O)OCC 1458a_100000185857_200009813700 [0,1,0,0,0,1|1,0,0]=3 1210 B14R0.1085 CCCCC(C(=O)OCC)C(=O)C(C)C 1458a_100000210198_200009813700 [0,1,0,0,0,1|1,0,1]=4 1211 B14R0.1085 CCCCC(C(=O)OCC)C(=O)C(C)F 1458a_100000062450_200009813700 [0,1,0,0,0,1|1,0,1]=4 1212 B14R0.1085 CCCCC(C(=O)OCC)C(=O)[C@@H](C)O 1458a_100000717761_200009813700 [0,1,0,0,0,1|0,0,2]=4 1213 B14R0.1085 CCCCC(C(=O)OCC)C(=O)[C@H](C)O 1458a_217856618621_200009813700 [0,1,0,0,0,1|0,0,2]=4 1214 B14R0.1085 CCCCC(C(=O)OCC)N(C)C(C)C 269982a_200000211004_200009813700 [0,1,0,0,0,1|1,0,1]=4 1215 B14R0.1397 C=C(C)CC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000748629 [0,1,0,0,0,1|1,0,1]=4 1216 B14R0.1397 CCCCC(NC(=O)C)C(=O)CC(C)C 1458a_100000194794_100000210624 [0,1,0,0,0,1|1,0,0]=3 1217 B14R0.1397 CCCCC(NC(=O)C)C(=O)CC(C)O 1458a_100000194794_100011218427 [0,1,0,0,0,1|1,0,0]=3 1218 B14R0.1397 CCCCC(NC(=O)C)C(=O)CC(F)F 1458a_100000194794_100011934356 [0,1,0,0,0,1|2,0,0]=4 1219 B14R0.1397 CCCCC(NC(=O)C)C(=O)NC(C)C 11a_100138425928_100000194794 [0,1,0,0,0,1|1,0,0]=3 1220 B14R0.1397 CCCCC(NC(=O)C)C(=O)NC(C)C 1626a_100138425928_100000194794 [0,1,0,0,0,1|1,0,0]=3 1221 B14R0.1397 CCCCC(NC(=O)C)C(=O)NC(C)C 240690a_100138425928_100000194794 [0,1,0,0,0,1|1,0,0]=3 1222 B14R0.1397 CCCCC(NC(=O)C)C(=O)NC(C)C 527a_100138425928_100000194794 [0,1,0,0,0,1|1,0,0]=3 1223 B14R0.1397 CSCC[C@@H](NC(=O)C)C(=O)CC(C)C 1458a_100011933958_100000210624 [0,1,0,0,0,1|2,0,0]=4 1224 B14R0.1397 CSCC[C@@H](NC(=O)C)C(=O)CC(C)O 1458a_100011933958_100011218427 [0,1,0,0,0,1|2,0,0]=4 1225 B14R0.1397 CSCC[C@@H](NC(=O)C)C(=O)NC(C)C 11a_100138425928_100011933958 [0,1,0,0,0,1|2,0,0]=4 1226 B14R0.1397 CSCC[C@@H](NC(=O)C)C(=O)NC(C)C 1626a_100138425928_100011933958 [0,1,0,0,0,1|2,0,0]=4 1227 B14R0.1397 CSCC[C@@H](NC(=O)C)C(=O)NC(C)C 240690a_100138425928_100011933958 [0,1,0,0,0,1|2,0,0]=4 1228 B14R0.1397 CSCC[C@@H](NC(=O)C)C(=O)NC(C)C 527a_100138425928_100011933958 [0,1,0,0,0,1|2,0,0]=4 1229 B14R0.2450 C#CC(C)NC(CCCC)C(=O)OCC 2230a_100000707721_200009813700 [0,1,0,0,0,1|1,0,1]=4 1230 B14R0.2450 C#CC(C)NC(CCCC)C(=O)OCC 34a_100000707721_200009813700 [0,1,0,0,0,1|1,0,1]=4 1231 B14R0.2450 C#CC(C)OC(CCCC)C(=O)OCC 34a_200011215408_200000035995 [0,1,0,0,0,1|1,0,1]=4 1232 B14R0.2450 C#CC(C)SC(CCCC)C(=O)OCC 62a_200000035995_200009813700 [0,1,0,0,0,1|1,0,1]=4 1233 B14R0.2450 C#C[C@@H](C)OC(CCCC)C(=O)OCC 34a_100009815206_200009813700 [0,1,0,0,0,1|1,0,1]=4 1234 B14R0.2450 C#C[C@@H](C)OC(CCCC)C(=O)OCC 7a_100009815206_200009813700 [0,1,0,0,0,1|1,0,1]=4 1235 B14R0.2450 C=CC(C)OC(CCCC)C(=O)OCC 34a_100000695699_200009813700 [0,1,0,0,0,1|1,0,1]=4 1236 B14R0.2450 C=CC(C)SC(CCCC)C(=O)OCC 62a_100011215867_200009813700 [0,1,0,0,0,1|1,0,1]=4 1237 B14R0.2450 CCCC(=O)C(CCSC)NC(=O)CC 1458a_100000194488_100000210303 [0,1,0,0,0,1|2,0,0]=4 1238 B14R0.2450 CCCCC(NC(C)C#N)C(=O)OCC 2230a_100000737613_200009813700 [0,1,0,0,0,1|1,0,1]=4 1239 B14R0.2450 CCCCC(NC(C)CC)C(=O)OCC 2230a_100000209981_200009813700 [0,1,0,0,0,1|1,0,1]=4 1240 B14R0.2450 CCCCC(N[C@H](C)CO)C(=O)OCC 2230a_100000737577_200009813700 [0,1,0,0,0,1|0,0,2]=4 1241 B14R0.2450 CCCCC(OC(C)C#N)C(=O)OCC 34a_100011218135_200009813700 [0,1,0,0,0,1|1,0,1]=4 1242 B14R0.2450 CCCCC(OC(C)C#N)C(=O)OCC 7a_200011215408_100000703298 [0,1,0,0,0,1|1,0,1]=4 1243 B14R0.2450 CCCCC(OC(C)CC)C(=O)OCC 34a_200011215408_100011215416 [0,1,0,0,0,1|1,0,1]=4 1244 B14R0.2450 CCCCC(OC(C)CC)C(=O)OCC 7a_100000210228_200009813700 [0,1,0,0,0,1|1,0,1]=4 1245 B14R0.2450 CCCCC(OC(C)CC)C(=O)OCC 7a_200011215408_100000758301 [0,1,0,0,0,1|1,0,1]=4 1246 B14R0.2450 CCCCC(OC(C)CF)C(=O)OCC 34a_100016041109_200009813700 [0,1,0,0,0,1|1,0,1]=4 1247 B14R0.2450 CCCCC(OC(C)CF)C(=O)OCC 7a_100016041109_200009813700 [0,1,0,0,0,1|1,0,1]=4 1248 B14R0.2450 CCCCC(OC(C)CN)C(=O)OCC 34a_100000210904_200009813700 [0,1,0,0,0,1|1,0,1]=4 1249 B14R0.2450 CCCCC(OC(C)CO)C(=O)OCC 34a_200011215408_100012180447 [0,1,0,0,0,1|0,0,2]=4 1250 B14R0.2450 CCCCC(OC(C)CO)C(=O)OCC 7a_200011215408_100012180447 [0,1,0,0,0,1|0,0,2]=4 1251 B14R0.2450 CCCCC(SC(C)C#N)C(=O)OCC 62a_100000703298_200009813700 [0,1,0,0,0,1|1,0,1]=4 1252 B14R0.2450 CCCCC(SC(C)C#N)C(=O)OCC 62a_200009813700_100000703298 [0,1,0,0,0,1|1,0,1]=4 1253 B14R0.2450 CCCCC(SC(C)CC)C(=O)OCC 62a_100000758301_200009813700 [0,1,0,0,0,1|1,0,1]=4 1254 B14R0.2450 CCCCC(SC(C)CC)C(=O)OCC 62a_200009813700_100000758301 [0,1,0,0,0,1|1,0,1]=4 1255 B14R0.2450 CCCCC(SC(C)CO)C(=O)OCC 62a_100012180447_200009813700 [0,1,0,0,0,1|0,0,2]=4 1256 B14R0.2450 CCCCC(SC(C)OC)C(=O)OCC 62a_100009879195_200009813700 [0,1,0,0,0,1|0,0,2]=4 1257 B14R0.2450 CCCCC(SC(C)OC)C(=O)OCC 62a_200009813700_100009879195 [0,1,0,0,0,1|0,0,2]=4 1258 B14R0.2450 CCCCC(S[C@H](C)CO)C(=O)OCC 62a_100016084084_200009813700 [0,1,0,0,0,1|0,0,2]=4 1259 B14R0.2450 CCCCC(S[C@H](C)CO)C(=O)OCC 62a_200009813700_100016084084 [0,1,0,0,0,1|0,0,2]=4 1260 B14R0.2450 CCNC(=O)C(CCSC)NC(=O)CC 11a_100015525214_100000194488 [0,1,0,0,0,1|2,0,0]=4 1261 B14R0.2450 CCNC(=O)C(CCSC)NC(=O)CC 240690a_100015525214_100000194488 [0,1,0,0,0,1|2,0,0]=4 1262 B14R0.2450 CCNC(=O)C(CCSC)NC(=O)CC 527a_100015525214_100000194488 [0,1,0,0,0,1|2,0,0]=4 1263 B14R0.2450 CCOC(=O)[C@H](CCSC)NC(=O)CC 188690a_100016988351_100000210414 [0,1,0,0,0,1|1,0,0]=3 1264 B14R0.2450 CCOC(=O)[C@H](CCSC)NC(=O)CO 188690a_100016988351_100000210174 [0,1,0,0,0,1|1,0,0]=3 1265 B14R0.2917 CCCCC(NC(C)(C)C)C(=O)OCC 2230a_100000715429_200009813700 [0,1,0,0,0,1|1,0,1]=4 1266 B14R0.2917 CCCCC(OC(C)(C)C)C(=O)OCC 34a_100015890283_200009813700 [0,1,0,0,0,1|1,0,1]=4 1267 B14R0.2917 CCCCC(OC(C)(C)C)C(=O)OCC 34a_200011215408_100000210625 [0,1,0,0,0,1|1,0,1]=4 1268 B14R0.2917 CCCCC(OC(C)(C)C)C(=O)OCC 7a_100015890283_200009813700 [0,1,0,0,0,1|1,0,1]=4 1269 B14R0.2917 CCCCC(SC(C)(C)C)C(=O)OCC 62a_100000211941_200009813700 [0,1,0,0,0,1|1,0,1]=4 1270 B14R0.2917 CCCCC(SC(C)(C)C)C(=O)OCC 62a_200009813700_100000211941 [0,1,0,0,0,1|1,0,1]=4 1271 B14R0.148 CCC=CC(=O)N[C@@H](CCCC)C(=O)N 11a_100000124899_100000212282 [0,1,0,0,0,1|2,0,0]=4 1272 B14R0.148 CCC=CC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100000212282 [0,1,0,0,0,1|2,0,0]=4 1273 B14R0.148 CCC=CC(=O)N[C@@H](CCCC)C(=O)N 240690a_100000124899_100000212282 [0,1,0,0,0,1|2,0,0]=4 1274 B14R0.148 CCCCC(=O)N[C@@H](CCCC)C(=O)N 11a_100000124899_100000210183 [0,1,0,0,0,1|2,0,0]=4 1275 B14R0.148 CCCCC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100000210183 [0,1,0,0,0,1|2,0,0]=4 1276 B14R0.148 CCCCC(=O)N[C@@H](CCCC)C(=O)N 240690a_100000124899_100000210183 [0,1,0,0,0,1|2,0,0]=4 1277 B14R0.148 CCCCC(=O)N[C@@H](CCCC)C(=O)N 527a_100000124899_100000210183 [0,1,0,0,0,1|2,0,0]=4 1278 B14R0.148 CCCCC(NC(=O)CNCC)C(=O)O 269956a_100011217982_100000210202 [0,1,0,0,0,1|2,0,0]=4 1279 B14R0.148 CCCC[C@H](NC(=O)CCOC)C(=O)N 11a_100000124899_100000749529 [0,1,0,0,0,1|2,0,0]=4 1280 B14R0.148 CCCC[C@H](NC(=O)CCOC)C(=O)N 1626a_100000124899_100000749529 [0,1,0,0,0,1|2,0,0]=4 1281 B14R0.148 CCCC[C@H](NC(=O)CCOC)C(=O)N 240690a_100000124899_100000749529 [0,1,0,0,0,1|2,0,0]=4 1282 B14R0.148 CCCC[C@H](NC(=O)CCOC)C(=O)N 527a_100000124899_100000749529 [0,1,0,0,0,1|2,0,0]=4 1283 B14R0.148 CCCC[C@H](NC(=O)CCSC)C(=O)N 11a_100000124899_100000174002 [0,1,0,0,0,1|2,0,0]=4 1284 B14R0.148 CCCC[C@H](NC(=O)CCSC)C(=O)N 1626a_100000124899_100000174002 [0,1,0,0,0,1|2,0,0]=4 1285 B14R0.148 CCCC[C@H](NC(=O)CCSC)C(=O)N 240690a_100000124899_100000174002 [0,1,0,0,0,1|2,0,0]=4 1286 B14R0.148 CCCC[C@H](NC(=O)CCSC)C(=O)N 527a_100000124899_100000174002 [0,1,0,0,0,1|2,0,0]=4 1287 B14R0.148 CCCC[C@H](NC(=O)COCC)C(=O)N 11a_100000124899_100000211967 [0,1,0,0,0,1|1,0,0]=3 1288 B14R0.148 CCCC[C@H](NC(=O)COCC)C(=O)N 1626a_100000124899_100000211967 [0,1,0,0,0,1|1,0,0]=3 1289 B14R0.148 CCCC[C@H](NC(=O)COCC)C(=O)N 240690a_100000124899_100000211967 [0,1,0,0,0,1|1,0,0]=3 1290 B14R0.148 CCCC[C@H](NC(=O)COCC)C(=O)N 527a_100000124899_100000211967 [0,1,0,0,0,1|1,0,0]=3 1291 B14R0.148 CCCC[C@H](NC(=O)CSCC)C(=O)N 11a_100000124899_100000230394 [0,1,0,0,0,1|1,1,0]=4 1292 B14R0.148 CCCC[C@H](NC(=O)CSCC)C(=O)N 1626a_100000124899_100000230394 [0,1,0,0,0,1|1,1,0]=4 1293 B14R0.148 CCCC[C@H](NC(=O)CSCC)C(=O)N 240690a_100000124899_100000230394 [0,1,0,0,0,1|1,1,0]=4 1294 B14R0.148 CCCC[C@H](NC(=O)CSCC)C(=O)N 527a_100000124899_100000230394 [0,1,0,0,0,1|1,1,0]=4 1295 B14R0.148 CCCC[C@H](NC(=O)NCCC)C(=O)N 2708a_100020643023_100000124899 [0,1,0,0,0,1|2,0,0]=4 1296 B14R0.148 CCCC[C@H](NC(=O)NCCC)C(=O)N 273464a_100000124899_100020643023 [0,1,0,0,0,1|2,0,0]=4 1297 B14R0.148 CCCC[C@H](NC(=O)NCCC)C(=O)N 273464a_100020643023_100000124899 [0,1,0,0,0,1|2,0,0]=4 1298 B14R0.148 CCCC[C@H](NC(=O)NCCC)C(=O)N 512a_100000124899_100020643023 [0,1,0,0,0,1|2,0,0]=4 1299 B14R0.148 CCCC[C@H](NC(=O)NCCC)C(=O)N 512a_100020643023_100000124899 [0,1,0,0,0,1|2,0,0]=4 1300 B14R0.148 CCCC[C@H](NC(=O)NCCF)C(=O)N 273464a_100000124899_100000724931 [0,1,0,0,0,1|2,0,0]=4 1301 B14R0.148 CCCC[C@H](NC(=O)NCCF)C(=O)N 273464a_100000724931_100000124899 [0,1,0,0,0,1|2,0,0]=4 1302 B14R0.148 CCCC[C@H](NC(=O)NCCF)C(=O)N 512a_100000124899_100000724931 [0,1,0,0,0,1|2,0,0]=4 1303 B14R0.148 CCCC[C@H](NC(=O)NCCO)C(=O)N 273464a_100000124899_100000210304 [0,1,0,0,0,1|2,0,0]=4 1304 B14R0.148 CCCC[C@H](NC(=O)NCCO)C(=O)N 273464a_100000210304_100000124899 [0,1,0,0,0,1|2,0,0]=4 1305 B14R0.148 CCCC[C@H](NC(=O)NCCO)C(=O)N 512a_100000124899_100000210304 [0,1,0,0,0,1|2,0,0]=4 1306 B14R0.148 CCCC[C@H](NC(=O)NNCC)C(=O)N 273464a_100000124899_100000756455 [0,1,0,0,0,1|2,0,0]=4 1307 B14R0.148 CCCC[C@H](NC(=O)NNCC)C(=O)N 512a_100000124899_100000756455 [0,1,0,0,0,1|2,0,0]=4 1308 B14R0.148 CCCC[C@H](NC(=O)NNCC)C(=O)N 512a_100000756455_100000124899 [0,1,0,0,0,1|2,0,0]=4 1309 B14R0.148 CCOCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000211967 [0,1,0,0,0,1|2,0,0]=4 1310 B14R0.148 CCOCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000211967 [0,1,0,0,0,1|2,0,0]=4 1311 B14R0.148 CCOCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000211967 [0,1,0,0,0,1|2,0,0]=4 1312 B14R0.148 CCOCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000211967 [0,1,0,0,0,1|2,0,0]=4 1313 B14R0.976 CCCCC(C(=O)N)C(=O)C(=O)NCC 1458a_200011297158_100000748834 [0,1,0,0,0,1|2,0,0]=4 1314 B14R0.2451 CCCC[C@H](NC(=O)CC(C)C)C(=O)N 11a_100000124899_100000210554 [0,1,0,0,0,1|2,0,0]=4 1315 B14R0.2451 CCCC[C@H](NC(=O)CC(C)C)C(=O)N 1626a_100000124899_100000210554 [0,1,0,0,0,1|2,0,0]=4 1316 B14R0.2451 CCCC[C@H](NC(=O)CC(C)C)C(=O)N 240690a_100000124899_100000210554 [0,1,0,0,0,1|2,0,0]=4 1317 B14R0.2451 CCCC[C@H](NC(=O)CC(C)C)C(=O)N 527a_100000124899_100000210554 [0,1,0,0,0,1|2,0,0]=4 1318 B14R0.2451 CCCC[C@H](NC(=O)C[C@@H](C)O)C(=O)N 240690a_100000124899_100011933948 [0,1,0,0,0,1|2,0,0]=4 1319 B14R0.2451 CCCC[C@H](NC(=O)NC(C)C)C(=O)N 2708a_100138425928_100000124899 [0,1,0,0,0,1|2,0,0]=4 1320 B14R0.2451 CCCC[C@H](NC(=O)NC(C)C)C(=O)N 273464a_100138425928_100000124899 [0,1,0,0,0,1|2,0,0]=4 1321 B14R0.2451 CCCC[C@H](NC(=O)NC(C)C)C(=O)N 512a_100000124899_100138425928 [0,1,0,0,0,1|2,0,0]=4 1322 B14R0.2451 CCCC[C@H](NC(=O)NC(C)C)C(=O)N 512a_100138425928_100000124899 [0,1,0,0,0,1|2,0,0]=4 1323 B14R0.2466 CCCC[C@H](NC(=O)C(C)CC)C(=O)N 11a_100000124899_100011192722 [0,1,0,0,0,1|2,0,0]=4 1324 B14R0.2466 CCCC[C@H](NC(=O)C(C)CC)C(=O)N 1626a_100000124899_100011192722 [0,1,0,0,0,1|2,0,0]=4 1325 B14R0.2466 CCCC[C@H](NC(=O)C(C)CC)C(=O)N 240690a_100000124899_100011192722 [0,1,0,0,0,1|2,0,0]=4 1326 B14R0.2466 CCCC[C@H](NC(=O)C(C)CC)C(=O)N 527a_100000124899_100011192722 [0,1,0,0,0,1|2,0,0]=4 1327 B14R0.2466 CCCC[C@H](NC(=O)C(O)CC)C(=O)N 240690a_100000124899_100011196387 [0,1,0,0,0,1|2,0,0]=4 1328 B14R0.2466 CCCC[C@H](NC(=O)N(C)CC)C(=O)N 273464a_100000124899_100000225621 [0,1,0,0,0,1|2,0,0]=4 1329 B14R0.2885 CC=CC(=O)NC(CCCC)C(=O)OC 188690a_100000701681_100000210699 [0,1,0,0,0,1|1,0,1]=4 1330 B14R0.2885 CCCC(=O)N[C@H](CCSC)C(=O)OC 188690a_100020625969_100000211992 [0,1,0,0,0,1|2,0,0]=4 1331 B14R0.2885 CCCCC(NC(=O)CCC)C(=O)OC 188690a_100000701681_100000211992 [0,1,0,0,0,1|1,0,0]=3 1332 B14R0.2885 CCCCC(NC(=O)COC)C(=O)OC 188690a_100000701681_100000210968 [0,1,0,0,0,1|2,0,0]=4 1333 B14R0.2885 CCCCC(NC(=O)CSC)C(=O)OC 188690a_100000701681_100000184570 [0,1,0,0,0,1|2,0,0]=4 1334 B14R0.122 C=C(C)CSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000211660 [0,2,0,0,0,0|1,0,1]=4 1335 B14R0.122 C=C(C)CSC(C(=O)CC)C(=O)OCC 62a_100000748629_100000687759 [0,2,0,0,0,0|1,0,1]=4 1336 B14R0.122 CCOC(=O)C(SCC(C)C)C(=O)CC 62a_100000210624_100000687759 [0,2,0,0,0,0|1,0,0]=3 1337 B14R0.122 CCOC(=O)C(SCC(C)C)C(=O)CC 62a_100000687759_100000210760 [0,2,0,0,0,0|1,0,0]=3 1338 B14R0.122 CCOC(=O)C(SCC(C)O)C(=O)CC 62a_100000687759_100011218427 [0,2,0,0,0,0|1,0,0]=3 1339 B14R0.122 CCOC(=O)C(SCC(C)O)C(=O)CC 62a_100011218427_100000687759 [0,2,0,0,0,0|1,0,0]=3 1340 B14R0.122 CCOC(=O)C(SCC(F)F)C(=O)CC 62a_100000687759_100011934356 [0,2,0,0,0,0|2,0,0]=4 1341 B14R0.122 CCOC(=O)C(SCC(F)F)C(=O)CC 62a_100011934356_100000687759 [0,2,0,0,0,0|2,0,0]=4 1342 B14R0.122 CCOC(=O)C(SC[C@@H](C)O)C(=O)CC 62a_100000687759_100009817552 [0,2,0,0,0,0|1,0,0]=3 1343 B14R0.122 CCOC(=O)C(SC[C@@H](C)O)C(=O)CC 62a_100009817552_100000687759 [0,2,0,0,0,0|1,0,0]=3 1344 B14R0.1145 CCOC(=O)C(OC(C)C(=O)C)C(=O)C 34a_100000212229_100009831564 [0,2,0,0,0,0|1,0,1]=4 1345 B14R0.1145 CCOC(=O)C(SC(C)C(=O)C)C(=O)C 62a_100000211040_100009814033 [0,2,0,0,0,0|1,0,1]=4 1346 B14R0.1145 CCOC(=O)C(SC(C)C(=O)C)C(=O)C 62a_100009814033_100000211040 [0,2,0,0,0,0|1,0,1]=4 1347 B14R0.1149 C=CC(C)COC(C(=O)C)C(=O)OCC 34a_100011215527_100009831564 [0,2,0,0,0,0|1,0,0]=3 1348 B14R0.1149 C=CC(O)CSC(C(=O)C)C(=O)OCC 62a_100000211040_100000730141 [0,2,0,0,0,0|0,0,2]=4 1349 B14R0.1149 C=CC(O)CSC(C(=O)C)C(=O)OCC 62a_100000730141_100000211040 [0,2,0,0,0,0|0,0,2]=4 1350 B14R0.1149 C=C[C@H](N)COC(C(=O)C)C(=O)OCC 34a_100016989147_100009831564 [0,2,0,0,0,0|0,0,2]=4 1351 B14R0.1149 CCOC(=O)C(NCC(C)CO)C(=O)C 34a_100000744482_100009831564 [0,2,0,0,0,0|1,0,0]=3 1352 B14R0.1149 CCOC(=O)C(NC[C@@H](F)CO)C(=O)C 34a_100015665980_100009831564 [0,2,0,0,0,0|1,0,0]=3 1353 B14R0.1149 CCOC(=O)C(OCC(=O)CC)C(=O)C 34a_100000725409_100009831564 [0,2,0,0,0,0|0,0,1]=3 1354 B14R0.1149 CCOC(=O)C(OCC(=O)NC)C(=O)C 34a_100000750040_100009831564 [0,2,0,0,0,0|1,0,1]=4 1355 B14R0.1149 CCOC(=O)C(OCC(C)CN)C(=O)C 34a_100000744482_100009831564 [0,2,0,0,0,0|1,0,0]=3 1356 B14R0.1149 CCOC(=O)C(OCC(C)OC)C(=O)C 34a_100000690652_100009831564 [0,2,0,0,0,0|1,0,0]=3 1357 B14R0.1149 CCOC(=O)C(OCC(Cl)CCl)C(=O)C 34a_100000033668_100009831564 [0,2,0,0,0,0|1,0,0]=3 1358 B14R0.1149 CCOC(=O)C(OC[C@@H](C)CC)C(C)C 7a_100009816381_100000740032 [0,2,0,0,0,0|1,0,1]=4 1359 B14R0.1149 CCOC(=O)C(OC[C@H](F)CN)C(=O)C 34a_100015665980_100009831564 [0,2,0,0,0,0|1,0,0]=3 1360 B14R0.1149 CCOC(=O)C(SCC(=O)CC)C(=O)C 62a_100000211040_100000747405 [0,2,0,0,0,0|0,0,1]=3 1361 B14R0.1149 CCOC(=O)C(SCC(=O)CC)C(=O)C 62a_100000747405_100000211040 [0,2,0,0,0,0|0,0,1]=3 1362 B14R0.1149 CCOC(=O)C(SCC(=O)NC)C(=O)C 62a_100000183359_100000211040 [0,2,0,0,0,0|1,0,1]=4 1363 B14R0.1149 CCOC(=O)C(SCC(=O)NC)C(=O)C 62a_100000211040_100000183359 [0,2,0,0,0,0|1,0,1]=4 1364 B14R0.1149 CCOC(=O)C(SCC(=O)OC)C(=O)C 62a_100000211040_100000747449 [0,2,0,0,0,0|1,0,1]=4 1365 B14R0.1149 CCOC(=O)C(SCC(=O)OC)C(=O)C 62a_100000747449_100000211040 [0,2,0,0,0,0|1,0,1]=4 1366 B14R0.1149 CCOC(=O)C(SCC(C)CC)C(=O)C 62a_100000211040_100000748023 [0,2,0,0,0,0|0,0,0]=2 1367 B14R0.1149 CCOC(=O)C(SCC(C)CC)C(=O)C 62a_100000748023_100000211040 [0,2,0,0,0,0|0,0,0]=2 1368 B14R0.1149 CCOC(=O)C(SCC(C)CC)C(C)C 62a_100000740032_100000748023 [0,2,0,0,0,0|1,0,1]=4 1369 B14R0.1149 CCOC(=O)C(SCC(C)CC)C(C)C 62a_100000748023_100000740032 [0,2,0,0,0,0|1,0,1]=4 1370 B14R0.1149 CCOC(=O)C(SCC(O)CC)C(=O)C 62a_100000211040_100011218378 [0,2,0,0,0,0|0,0,0]=2 1371 B14R0.1149 CCOC(=O)C(SCC(O)CC)C(=O)C 62a_100011218378_100000211040 [0,2,0,0,0,0|0,0,0]=2 1372 B14R0.1149 CCOC(=O)C(SCC(O)CC)C(C)C 62a_100000740032_100011218378 [0,2,0,0,0,0|1,0,1]=4 1373 B14R0.1149 CCOC(=O)C(SCC(O)CC)C(C)C 62a_100011218378_100000740032 [0,2,0,0,0,0|1,0,1]=4 1374 B14R0.1149 CCOC(=O)C(SCC(O)CO)C(=O)C 62a_100000211040_100011219619 [0,2,0,0,0,0|1,0,0]=3 1375 B14R0.1149 CCOC(=O)C(SCC(O)CO)C(=O)C 62a_100011219619_100000211040 [0,2,0,0,0,0|1,0,0]=3 1376 B14R0.1149 CCOC(=O)C(SC[C@@H](C)CC)C(=O)C 62a_100000211040_100009816398 [0,2,0,0,0,0|0,0,0]=2 1377 B14R0.1149 CCOC(=O)C(SC[C@@H](C)CC)C(=O)C 62a_100009816398_100000211040 [0,2,0,0,0,0|0,0,0]=2 1378 B14R0.1149 CCOC(=O)C(SC[C@@H](C)CC)C(C)C 62a_100000740032_100009816398 [0,2,0,0,0,0|1,0,1]=4 1379 B14R0.1149 CCOC(=O)C(SC[C@@H](C)CC)C(C)C 62a_100009816398_100000740032 [0,2,0,0,0,0|1,0,1]=4 1380 B14R0.1149 CCOC(=O)C(SC[C@@H](C)CO)C(=O)C 62a_100000059175_100000211040 [0,2,0,0,0,0|1,0,0]=3 1381 B14R0.1149 CCOC(=O)C(SC[C@@H](C)CO)C(=O)C 62a_100000211040_100000059175 [0,2,0,0,0,0|1,0,0]=3 1382 B14R0.1149 CCOC(=O)C(SC[C@@H](O)CF)C(=O)C 62a_100000211040_100015614560 [0,2,0,0,0,0|1,0,0]=3 1383 B14R0.1149 CCOC(=O)C(SC[C@@H](O)CF)C(=O)C 62a_100015614560_100000211040 [0,2,0,0,0,0|1,0,0]=3 1384 B14R0.1149 CCOC(=O)C(SC[C@@H](O)CO)C(=O)C 62a_100000211040_100009815848 [0,2,0,0,0,0|1,0,0]=3 1385 B14R0.1149 CCOC(=O)C(SC[C@@H](O)CO)C(=O)C 62a_100009815848_100000211040 [0,2,0,0,0,0|1,0,0]=3 1386 B14R0.1174 C=C(C)CN(C)C(C(=O)C)C(=O)OCC 269982a_100000225649_100009831564 [0,2,0,0,0,0|1,0,1]=4 1387 B14R0.1174 CCOC(=O)C(C(=O)C)N(C)CC(C)C 269982a_100000747067_100009831564 [0,2,0,0,0,0|1,0,0]=3 1388 B14R0.1174 CCOC(=O)C(C(=O)C)N(C)CC(C)O 269982a_100000227577_100009831564 [0,2,0,0,0,0|1,0,0]=3 1389 B14R0.2241 CCOC(=O)C(NCC(F)(F)F)C(=O)C 34a_100000717047_100009831564 [0,2,0,0,0,0|2,0,0]=4 1390 B14R0.2241 CCOC(=O)C(OCC(C)(C)F)C(=O)C 34a_100000716592_100009831564 [0,2,0,0,0,0|1,0,0]=3 1391 B14R0.2241 CCOC(=O)C(OCC(C)(F)F)C(=O)C 34a_100000068830_100009831564 [0,2,0,0,0,0|1,0,0]=3 1392 B14R0.2241 CCOC(=O)C(OCC(F)(F)Br)C(=O)C 34a_100011217949_100009831564 [0,2,0,0,0,0|2,0,0]=4 1393 B14R0.2241 CCOC(=O)C(OCC(F)(F)Cl)C(=O)C 34a_100000734434_100009831564 [0,2,0,0,0,0|2,0,0]=4 1394 B14R0.2241 CCOC(=O)C(OCC(F)(F)F)C(=O)C 34a_100000210435_100009831564 [0,2,0,0,0,0|2,0,0]=4 1395 B14R0.2241 CCOC(=O)C(SCC(C)(C)C)C(=O)C 62a_100000211040_100011219605 [0,2,0,0,0,0|1,0,0]=3 1396 B14R0.2241 CCOC(=O)C(SCC(C)(C)C)C(=O)C 62a_100011219605_100000211040 [0,2,0,0,0,0|1,0,0]=3 1397 B14R0.2241 CCOC(=O)C(SCC(C)(C)F)C(=O)C 62a_100000211040_100011997219 [0,2,0,0,0,0|1,0,0]=3 1398 B14R0.2241 CCOC(=O)C(SCC(C)(C)F)C(=O)C 62a_100011997219_100000211040 [0,2,0,0,0,0|1,0,0]=3 1399 B14R0.2241 CCOC(=O)C(SCC(C)(C)O)C(=O)C 62a_100000211040_100000764493 [0,2,0,0,0,0|1,0,0]=3 1400 B14R0.2241 CCOC(=O)C(SCC(C)(C)O)C(=O)C 62a_100000764493_100000211040 [0,2,0,0,0,0|1,0,0]=3 1401 B14R0.2241 CCOC(=O)C(SCC(F)(F)F)C(=O)C 62a_100000211040_100000763148 [0,2,0,0,0,0|2,0,0]=4 1402 B14R0.2241 CCOC(=O)C(SCC(F)(F)F)C(=O)C 62a_100000763148_100000211040 [0,2,0,0,0,0|2,0,0]=4 1403 B14R0.2241 CCOC(=O)C(SC[N+](C)(C)C)C(=O)C 62a_100000211040_200000036245 [0,2,0,0,0,0|2,0,0]=4 1404 B14R0.2241 CCOC(=O)C(SC[N+](C)(C)C)C(=O)C 62a_200000036245_100000211040 [0,2,0,0,0,0|2,0,0]=4 1405 B14R0.2241 CCOC(=O)C(SC[Si](C)(C)C)C(=O)C 62a_100000037933_100000211040 [0,2,0,0,0,0|1,1,0]=4 1406 B14R0.2241 CCOC(=O)C(SC[Si](C)(C)C)C(=O)C 62a_100000211040_100000037933 [0,2,0,0,0,0|1,1,0]=4 1407 B14R0.1213 CCCN(CC)C(C(=O)C)C(=O)OCC 269982a_100000226822_100009831564 [0,2,0,0,0,0|1,0,0]=3 1408 B14R0.1213 CCOC(=O)C(C(=O)C)N(CC)CCO 269982a_100000210973_100009831564 [0,2,0,0,0,0|2,0,0]=4 1409 B14R0.977 CCCCC(C(=O)N)C(=O)C(CC)CC 1458a_100000211163_100000748834 [0,2,0,0,0,0|2,0,0]=4 1410 B14R0.977 CCCCC(C(=O)N)C(=O)C(CC)OC 1458a_100000747056_100000748834 [0,2,0,0,0,0|2,0,0]=4 1411 B14R0.977 CCCSC(C(=O)C)C(=O)N(CC)CC 62a_100000210303_200000073806 [0,2,0,0,0,0|2,0,0]=4 1412 B14R0.977 CCCSC(C(=O)C)C(=O)N(CC)CC 62a_200000073806_100000210303 [0,2,0,0,0,0|2,0,0]=4 1413 B14R0.978 CCCCC(C(=O)N)C(=O)C(C)(C)CC 1458a_100000749717_100000748834 [0,2,0,0,0,0|2,0,0]=4 1414 B14R0.978 CCCCC(C(=O)N)C(=O)C(C)(O)CC 1458a_100011219770_100000748834 [0,2,0,0,0,0|2,0,0]=4 1415 B14R0.978 CCCCC(C(=O)N)C(=O)C(F)(F)CC 1458a_100000061896_100000748834 [0,2,0,0,0,0|2,0,0]=4 1416 B14R0.1214 CCOC(=O)C(C(=O)C)N(C)C(C)CC 269982a_100000741768_100009831564 [0,2,0,0,0,0|1,0,0]=3 1417 B14R0.1214 CCOC(=O)C(C(=O)C)N(C)C(C)CO 269982a_100000693034_100009831564 [0,2,0,0,0,0|2,0,0]=4 1418 B14R0.2461 C/C=C(\C)/C(=O)C(CCCC)C(=O)OC 1458a_100020587367_100000750740 [0,2,0,0,0,0|1,0,1]=4 1419 B14R0.2461 CCCCC(C(=O)OC)C(=O)C(=O)NC 1458a_100011218921_100000750740 [0,2,0,0,0,0|2,0,0]=4 1420 B14R0.2461 CCCCC(C(=O)OC)C(=O)C(C)CC 1458a_100011192722_100000750740 [0,2,0,0,0,0|1,0,0]=3 1421 B14R0.2461 CCCCC(C(=O)OC)C(=O)C(C)OC 1458a_100000743197_100000750740 [0,2,0,0,0,0|2,0,0]=4 1422 B14R0.2461 CCCCC(C(=O)OC)C(=O)C(C)SC 1458a_100000149566_100000750740 [0,2,0,0,0,0|2,0,0]=4 1423 B14R0.2461 CCCCC(C(=O)OC)C(=O)C(O)CC 1458a_100011196387_100000750740 [0,2,0,0,0,0|1,0,0]=3 1424 B14R0.2461 CCCCC(C(=O)OC)C(=O)C(O)CO 1458a_100011215603_100000750740 [0,2,0,0,0,0|2,0,0]=4 1425 B14R0.2472 CCCCC(C(=O)N)C(=O)C(C)C(C)C 1458a_100000755409_100000748834 [0,2,0,0,0,0|2,0,0]=4 1426 B14R0.2472 CCCCC(C(=O)N)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000748834 [0,2,0,0,0,0|2,0,0]=4 1427 B14R0.156 C#CCCC(=O)C(CCCC)C(=O)OC 1458a_100000692101_100000750740 [0,2,0,0,0,0|1,0,1]=4 1428 B14R0.156 C=CCCC(=O)C(CCCC)C(=O)OC 1458a_100000749702_100000750740 [0,2,0,0,0,0|1,0,1]=4 1429 B14R0.156 CC=CCC(=O)C(CCCC)C(=O)OC 1458a_100121576822_100000750740 [0,2,0,0,0,0|1,0,1]=4 1430 B14R0.156 CCC#CC(=O)C(CCCC)C(=O)OC 1458a_100011827653_100000750740 [0,2,0,0,0,0|1,0,0]=3 1431 B14R0.156 CCC=CC(=O)C(CCCC)C(=O)OC 1458a_100000212282_100000750740 [0,2,0,0,0,0|1,0,0]=3 1432 B14R0.156 CCCCC(=O)C(CCCC)C(=O)OC 1458a_100000210183_100000750740 [0,2,0,0,0,0|1,0,0]=3 1433 B14R0.156 CCCCC(C(=O)C#CCO)C(=O)OC 1458a_100000049017_100000750740 [0,2,0,0,0,0|1,0,1]=4 1434 B14R0.156 CCCCC(C(=O)C=COC)C(=O)OC 1458a_100016268678_100000750740 [0,2,0,0,0,0|1,0,1]=4 1435 B14R0.156 CCCCC(C(=O)CCC#N)C(=O)OC 1458a_100011934036_100000750740 [0,2,0,0,0,0|1,0,1]=4 1436 B14R0.156 CCCCC(C(=O)CCOC)C(=O)OC 1458a_100000749529_100000750740 [0,2,0,0,0,0|1,0,0]=3 1437 B14R0.156 CCCCC(C(=O)CCSC)C(=O)OC 1458a_100000174002_100000750740 [0,2,0,0,0,0|1,0,0]=3 1438 B14R0.156 CCCCC(C(=O)COCC)C(=O)OC 1458a_100000211967_100000750740 [0,2,0,0,0,0|0,0,0]=2 1439 B14R0.156 CCCCC(C(=O)CSCC)C(=O)OC 1458a_100000230394_100000750740 [0,2,0,0,0,0|0,1,0]=3 1440 B14R0.617 C=CC(C)CC(=O)C(CCCC)C(=O)N 1458a_100011934298_100000748834 [0,2,0,0,0,0|2,0,0]=4 1441 B14R0.617 CCCCC(C(=O)N)C(=O)C=C(C)CC 1458a_100020758463_100000748834 [0,2,0,0,0,0|2,0,0]=4 1442 B14R0.617 CCCCC(C(=O)N)C(=O)CC(C)CC 1458a_100000708755_100000748834 [0,2,0,0,0,0|2,0,0]=4 1443 B14R0.617 CCCCC(C(=O)N)C(=O)CC(O)CC 1458a_100011667805_100000748834 [0,2,0,0,0,0|2,0,0]=4 1444 B14R0.617 CCCCC(C(=O)N)C(=O)CN(C)CC 1458a_100116209913_100000748834 [0,2,0,0,0,0|2,0,0]=4 1445 B14R0.618 C=C(C)CCC(=O)C(CCCC)C(=O)N 1458a_200000688413_100000748834 [0,2,0,0,0,0|2,0,0]=4 1446 B14R0.618 CCCCC(C(=O)N)C(=O)C=CC(C)C 1458a_100016268746_100000748834 [0,2,0,0,0,0|2,0,0]=4 1447 B14R0.618 CCCCC(C(=O)N)C(=O)CCC(C)C 1458a_100000181311_100000748834 [0,2,0,0,0,0|2,0,0]=4 1448 B14R0.618 CCCCC(C(=O)N)C(=O)CC[S+](C)C 1458a_100009452791_100000748834 [0,2,0,0,0,0|2,0,0]=4 1449 B14R0.618 CCCCC(C(=O)N)C(=O)COC(=O)C 1458a_100000183556_100000748834 [0,2,0,0,0,0|1,0,1]=4 1450 B14R0.618 CCCCC(C(=O)N)C(=O)COC(C)C 1458a_100000745533_100000748834 [0,2,0,0,0,0|1,0,0]=3 1451 B14R0.618 CCCCC(C(=O)N)C(=O)COC(F)F 1458a_200000719455_100000748834 [0,2,0,0,0,0|2,0,0]=4 1452 B14R0.618 CCCCC(C(=O)N)C(=O)CSC(C)C 1458a_100000241585_100000748834 [0,2,0,0,0,0|1,1,0]=4 1453 B14R0.1319 C=CCCN(C)C(C(=O)C)C(=O)OCC 269982a_100020639649_100009831564 [0,2,0,0,0,0|0,0,2]=4 1454 B14R0.1319 CCCCC(=O)C(C(=O)OCC)C(C)C 1458a_100000210183_100000740032 [0,2,0,0,0,0|1,0,1]=4 1455 B14R0.1319 CCCCN(C)C(C(=O)C)C(=O)OCC 269982a_100000207549_100009831564 [0,2,0,0,0,0|0,0,0]=2 1456 B14R0.1319 CCCCN(C)C(C(=O)OCC)C(C)C 269982a_100000207549_100000740032 [0,2,0,0,0,0|1,0,1]=4 1457 B14R0.1319 CCOC(=O)C(C(=O)C)N(C)CCCO 269982a_100000213112_100009831564 [0,2,0,0,0,0|1,0,0]=3 1458 B14R0.1319 CCOC(=O)C(C(=O)C)N(C)CCOC 269982a_100000743101_100009831564 [0,2,0,0,0,0|1,0,0]=3 1459 B14R0.1319 CCOC(=O)C(C(=O)C)N(C)CCSC 269982a_100000686725_100009831564 [0,2,0,0,0,0|1,0,0]=3 1460 B14R0.2420 C#CCCCC(=O)C(CCCC)C(=O)N 1458a_100000690238_100000748834 [0,2,0,0,0,0|2,0,0]=4 1461 B14R0.2420 C#CCOCC(=O)C(CCCC)C(=O)N 1458a_100011251226_100000748834 [0,2,0,0,0,0|1,0,1]=4 1462 B14R0.2420 C=CCCCC(=O)C(CCCC)C(=O)N 1458a_100000766728_100000748834 [0,2,0,0,0,0|2,0,0]=4 1463 B14R0.2420 CC/C=C/CC(=O)C(CCCC)C(=O)N 1458a_100016274230_100000748834 [0,2,0,0,0,0|2,0,0]=4 1464 B14R0.2420 CCCC#CC(=O)C(CCCC)C(=O)N 1458a_200011218047_100000748834 [0,2,0,0,0,0|2,0,0]=4 1465 B14R0.2420 CCCC=CC(=O)C(CCCC)C(=O)N 1458a_100000212230_100000748834 [0,2,0,0,0,0|2,0,0]=4 1466 B14R0.2420 CCCCC(C(=O)N)C(=O)C=CCOC 1458a_100016285016_100000748834 [0,2,0,0,0,0|2,0,0]=4 1467 B14R0.2420 CCCCC(C(=O)N)C(=O)C=COCC 1458a_100016266692_100000748834 [0,2,0,0,0,0|1,0,0]=3 1468 B14R0.2420 CCCCC(C(=O)N)C(=O)CCCC#N 1458a_100000075515_100000748834 [0,2,0,0,0,0|2,0,0]=4 1469 B14R0.2420 CCCCC(C(=O)N)C(=O)CCCCO 1458a_100000695505_100000748834 [0,2,0,0,0,0|2,0,0]=4 1470 B14R0.2420 CCCCC(C(=O)N)C(=O)CCCOC 1458a_100000741012_100000748834 [0,2,0,0,0,0|2,0,0]=4 1471 B14R0.2420 CCCCC(C(=O)N)C(=O)CCCSC 1458a_100000173376_100000748834 [0,2,0,0,0,0|2,0,0]=4 1472 B14R0.2420 CCCCC(C(=O)N)C(=O)CCOCC 1458a_100000749530_100000748834 [0,2,0,0,0,0|1,0,0]=3 1473 B14R0.2420 CCCCC(C(=O)N)C(=O)CCSCC 1458a_100000230768_100000748834 [0,2,0,0,0,0|1,1,0]=4 1474 B14R0.2420 CCCCC(C(=O)N)C(=O)COCCC 1458a_100000745993_100000748834 [0,2,0,0,0,0|1,0,0]=3 1475 B14R0.2420 CCCCC(C(=O)N)C(=O)COCCO 1458a_100000708028_100000748834 [0,2,0,0,0,0|1,0,0]=3 1476 B14R0.2420 CCCCC(C(=O)N)C(=O)CSCCC 1458a_100000217233_100000748834 [0,2,0,0,0,0|1,1,0]=4 1477 B14R0.2420 CCCCCC(=O)C(CCCC)C(=O)N 1458a_100000212188_100000748834 [0,2,0,0,0,0|2,0,0]=4 1478 B14R0.14 C#CC(CC)OC(C(=O)C)C(=O)OCC 34a_100000758843_100009831564 [0,2,0,0,0,0|1,0,0]=3 1479 B14R0.14 C=CC(CC)OC(C(=O)C)C(=O)OCC 34a_100000766422_100009831564 [0,2,0,0,0,0|1,0,0]=3 1480 B14R0.14 C=C[C@@H](CO)NC(C(=O)C)C(=O)OCC 34a_100016989147_100009831564 [0,2,0,0,0,0|2,0,0]=4 1481 B14R0.14 CCOC(=O)C(OC(CF)CF)C(=O)C 34a_100000032261_100009831564 [0,2,0,0,0,0|2,0,0]=4 1482 B14R0.14 CCOC(=O)C(OC(CN)CN)C(=O)C 34a_100000031598_100009831564 [0,2,0,0,0,0|2,0,0]=4 1483 B14R0.14 CCOC(=O)C(O[C@@H](CF)CCl)C(=O)C 34a_100015614560_100009831564 [0,2,0,0,0,0|2,0,0]=4 1484 B14R0.14 CCOC(=O)C(SC(CC)CC)C(=O)C 62a_100000210505_100000211040 [0,2,0,0,0,0|1,0,0]=3 1485 B14R0.14 CCOC(=O)C(SC(CC)CC)C(=O)C 62a_100000211040_100000210505 [0,2,0,0,0,0|1,0,0]=3 1486 B14R0.668 CCOC(=O)C(SC(C)(C)CC)C(=O)C 62a_100000032637_100000211040 [0,2,0,0,0,0|1,0,0]=3 1487 B14R0.668 CCOC(=O)C(SC(C)(C)CC)C(=O)C 62a_100000211040_100000032637 [0,2,0,0,0,0|1,0,0]=3 1488 B14R0.668 CCOC(=O)C(SC(F)(F)CO)C(=O)C 62a_100000211040_100011217949 [0,2,0,0,0,0|2,0,0]=4 1489 B14R0.668 CCOC(=O)C(SC(F)(F)CO)C(=O)C 62a_100011217949_100000211040 [0,2,0,0,0,0|2,0,0]=4 1490 B14R0.1155 CCOC(=O)C(OC(C)CC)C(=O)CC 7a_100000210228_100000687759 [0,2,0,0,0,0|1,0,0]=3 1491 B14R0.1155 CCOC(=O)C(OC(C)CF)C(=O)CC 7a_100016041109_100000687759 [0,2,0,0,0,0|2,0,0]=4 1492 B14R0.1155 CCOC(=O)C(SC(C)CC)C(=O)CC 62a_100000687759_100000758301 [0,2,0,0,0,0|1,0,0]=3 1493 B14R0.1155 CCOC(=O)C(SC(C)CC)C(=O)CC 62a_100000758301_100000687759 [0,2,0,0,0,0|1,0,0]=3 1494 B14R0.1155 CCOC(=O)C(SC(C)CO)C(=O)CC 62a_100012180447_100000687759 [0,2,0,0,0,0|2,0,0]=4 1495 B14R0.1155 CCOC(=O)C(SC(C)OC)C(=O)CC 62a_100000687759_100009879195 [0,2,0,0,0,0|2,0,0]=4 1496 B14R0.1155 CCOC(=O)C(SC(C)OC)C(=O)CC 62a_100009879195_100000687759 [0,2,0,0,0,0|2,0,0]=4 1497 B14R0.1155 CCOC(=O)C(S[C@H](C)CO)C(=O)CC 62a_100000687759_100016084084 [0,2,0,0,0,0|2,0,0]=4 1498 B14R0.1155 CCOC(=O)C(S[C@H](C)CO)C(=O)CC 62a_100016084084_100000687759 [0,2,0,0,0,0|2,0,0]=4 1499 B14R0.1163 CCCN(C)C(C(=O)CC)C(=O)OCC 269982a_100000747261_100000687759 [0,2,0,0,0,0|1,0,0]=3 1500 B14R0.1163 CCOC(=O)C(C(=O)CC)N(C)CCO 269982a_100000210263_100000687759 [0,2,0,0,0,0|2,0,0]=4 1501 B14R0.1140 C=C(Br)CCOC(C(=O)C)C(=O)OCC 34a_100009813270_100009831564 [0,2,0,0,0,0|0,0,2]=4 1502 B14R0.1140 C=C(C)CCOC(C(=O)C)C(=O)OCC 34a_100000764851_100009831564 [0,2,0,0,0,0|0,0,1]=3 1503 B14R0.1140 C=C(C)CCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000730704 [0,2,0,0,0,0|0,0,1]=3 1504 B14R0.1140 C=C(C)CCSC(C(=O)C)C(=O)OCC 62a_100000730704_100000211040 [0,2,0,0,0,0|0,0,1]=3 1505 B14R0.1140 CCOC(=O)C(NCC=C(C)C)C(=O)C 34a_100000718196_100009831564 [0,2,0,0,0,0|0,0,2]=4 1506 B14R0.1140 CCOC(=O)C(OCC=C(C)C)C(=O)C 34a_100000753907_100009831564 [0,2,0,0,0,0|0,0,2]=4 1507 B14R0.1140 CCOC(=O)C(OCCC(=O)C)C(=O)C 34a_100000759926_100009831564 [0,2,0,0,0,0|0,0,1]=3 1508 B14R0.1140 CCOC(=O)C(OCCC(=O)N)C(=O)C 34a_100000757172_100009831564 [0,2,0,0,0,0|1,0,1]=4 1509 B14R0.1140 CCOC(=O)C(OCCC(C)Br)C(=O)C 34a_100009893172_100009831564 [0,2,0,0,0,0|0,0,0]=2 1510 B14R0.1140 CCOC(=O)C(OCCC(C)Br)C(C)C 34a_100009893172_100000740032 [0,2,0,0,0,0|1,0,1]=4 1511 B14R0.1140 CCOC(=O)C(OCCC(C)C)C(=O)C 34a_100000210254_100009831564 [0,2,0,0,0,0|0,0,0]=2 1512 B14R0.1140 CCOC(=O)C(OCCC(C)C)C(C)C 34a_100000210254_100000740032 [0,2,0,0,0,0|1,0,1]=4 1513 B14R0.1140 CCOC(=O)C(OCCC(C)C)C(C)C 7a_100000210254_100000740032 [0,2,0,0,0,0|1,0,1]=4 1514 B14R0.1140 CCOC(=O)C(OCCC(F)F)C(=O)C 34a_100103093639_100009831564 [0,2,0,0,0,0|1,0,0]=3 1515 B14R0.1140 CCOC(=O)C(OCC[C@@H](C)N)C(=O)C 34a_100000706166_100009831564 [0,2,0,0,0,0|0,0,0]=2 1516 B14R0.1140 CCOC(=O)C(OCC[C@@H](C)N)C(C)C 34a_100000706166_100000740032 [0,2,0,0,0,0|1,0,1]=4 1517 B14R0.1140 CCOC(=O)C(SCC=C(C)C)C(=O)C 62a_100000211040_100000761012 [0,2,0,0,0,0|0,0,2]=4 1518 B14R0.1140 CCOC(=O)C(SCC=C(C)C)C(=O)C 62a_100000761012_100000211040 [0,2,0,0,0,0|0,0,2]=4 1519 B14R0.1140 CCOC(=O)C(SCCC(=O)C)C(=O)C 62a_100000053229_100000211040 [0,2,0,0,0,0|0,0,1]=3 1520 B14R0.1140 CCOC(=O)C(SCCC(=O)C)C(=O)C 62a_100000211040_100000053229 [0,2,0,0,0,0|0,0,1]=3 1521 B14R0.1140 CCOC(=O)C(SCCC(=O)N)C(=O)C 62a_100000211040_100000744528 [0,2,0,0,0,0|1,0,1]=4 1522 B14R0.1140 CCOC(=O)C(SCCC(=O)N)C(=O)C 62a_100000744528_100000211040 [0,2,0,0,0,0|1,0,1]=4 1523 B14R0.1140 CCOC(=O)C(SCCC(C)C)C(=O)C 62a_100000210312_100000211040 [0,2,0,0,0,0|0,0,0]=2 1524 B14R0.1140 CCOC(=O)C(SCCC(C)C)C(=O)C 62a_100000211040_100000210312 [0,2,0,0,0,0|0,0,0]=2 1525 B14R0.1140 CCOC(=O)C(SCCC(C)C)C(C)C 62a_100000210312_100000740032 [0,2,0,0,0,0|1,0,1]=4 1526 B14R0.1140 CCOC(=O)C(SCCC(C)C)C(C)C 62a_100000740032_100000210312 [0,2,0,0,0,0|1,0,1]=4 1527 B14R0.1140 CCOC(=O)C(SCCC(C)O)C(=O)C 62a_100000211040_100012276601 [0,2,0,0,0,0|0,0,0]=2 1528 B14R0.1140 CCOC(=O)C(SCCC(C)O)C(=O)C 62a_100012276601_100000211040 [0,2,0,0,0,0|0,0,0]=2 1529 B14R0.1140 CCOC(=O)C(SCCC(C)O)C(C)C 62a_100000740032_100012276601 [0,2,0,0,0,0|1,0,1]=4 1530 B14R0.1140 CCOC(=O)C(SCCC(C)O)C(C)C 62a_100012276601_100000740032 [0,2,0,0,0,0|1,0,1]=4 1531 B14R0.1140 CCOC(=O)C(SCCN(C)C)C(=O)C 62a_100000211040_100000755713 [0,2,0,0,0,0|1,0,0]=3 1532 B14R0.1140 CCOC(=O)C(SCOC(=O)C)C(=O)C 62a_100000076356_100000211040 [0,2,0,0,0,0|1,0,1]=4 1533 B14R0.1140 CCOC(=O)C(SCOC(=O)C)C(=O)C 62a_100000211040_100000076356 [0,2,0,0,0,0|1,0,1]=4 1534 B14R0.1140 CCOC(=O)C(SCOC(C)C)C(=O)C 62a_100000211040_100000709892 [0,2,0,0,0,0|1,0,0]=3 1535 B14R0.1140 CCOC(=O)C(SCOC(C)C)C(=O)C 62a_100000709892_100000211040 [0,2,0,0,0,0|1,0,0]=3 1536 B14R0.1358 C#CC(=O)C(CCCCC)C(=O)OCC 1458a_100000211873_200009813352 [0,2,0,0,0,0|0,0,1]=3 1537 B14R0.1358 C#CCCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000688953 [0,2,0,0,0,0|0,0,2]=4 1538 B14R0.1358 C#CCCSC(C(=O)CC)C(=O)OCC 62a_100000688953_100000687759 [0,2,0,0,0,0|0,0,2]=4 1539 B14R0.1358 C/C=C/CSC(C(=O)CC)C(=O)OCC 62a_100000687759_100102629194 [0,2,0,0,0,0|0,0,2]=4 1540 B14R0.1358 C/C=C/CSC(C(=O)CC)C(=O)OCC 62a_100102629194_100000687759 [0,2,0,0,0,0|0,0,2]=4 1541 B14R0.1358 C=CC(=O)C(CCCCC)C(=O)OCC 1458a_100000185746_200009813352 [0,2,0,0,0,0|0,0,1]=3 1542 B14R0.1358 C=CCCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000754431 [0,2,0,0,0,0|0,0,2]=4 1543 B14R0.1358 C=CCCSC(C(=O)CC)C(=O)OCC 62a_100000754431_100000687759 [0,2,0,0,0,0|0,0,2]=4 1544 B14R0.1358 CC#CCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000748600 [0,2,0,0,0,0|0,0,2]=4 1545 B14R0.1358 CC#CCSC(C(=O)CC)C(=O)OCC 62a_100000748600_100000687759 [0,2,0,0,0,0|0,0,2]=4 1546 B14R0.1358 CC=CCSC(C(=O)CC)C(=O)OCC 62a_100000070051_100000687759 [0,2,0,0,0,0|0,0,2]=4 1547 B14R0.1358 CC=CCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000070051 [0,2,0,0,0,0|0,0,2]=4 1548 B14R0.1358 CCCCCC(C(=O)CC)C(=O)OCC 1458a_100000210414_200009813352 [0,2,0,0,0,0|0,0,0]=2 1549 B14R0.1358 CCCCCC(C(=O)CO)C(=O)OCC 1458a_100000210174_200009813352 [0,2,0,0,0,0|0,0,0]=2 1550 B14R0.1358 CCCCCC(C(=O)OCC)N(C)CC 2230a_100000225621_200009813352 [0,2,0,0,0,0|2,0,0]=4 1551 B14R0.1358 CCCCCC(C(=O)OCC)N(C)CC 269982a_100000225621_200009813352 [0,2,0,0,0,0|2,0,0]=4 1552 B14R0.1358 CCCCNC(C(=O)CC)C(=O)OCC 7a_106832991798_100000687759 [0,2,0,0,0,0|0,0,0]=2 1553 B14R0.1358 CCCCOC(C(=O)CC)C(=O)OCC 7a_100000210227_100000687759 [0,2,0,0,0,0|0,0,0]=2 1554 B14R0.1358 CCCCSC(C(=O)CC)C(=O)OCC 62a_100000210211_100000687759 [0,2,0,0,0,0|0,0,0]=2 1555 B14R0.1358 CCCCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000210210 [0,2,0,0,0,0|0,0,0]=2 1556 B14R0.1358 CCOC(=O)C(OCCSC)C(=O)CC 7a_100000230434_100000687759 [0,2,0,0,0,0|1,0,0]=3 1557 B14R0.1358 CCOC(=O)C(SCCC#N)C(=O)CC 62a_100000687759_100011215226 [0,2,0,0,0,0|1,0,1]=4 1558 B14R0.1358 CCOC(=O)C(SCCC#N)C(=O)CC 62a_100011215226_100000687759 [0,2,0,0,0,0|1,0,1]=4 1559 B14R0.1358 CCOC(=O)C(SCCCF)C(=O)CC 62a_100000687759_100011934791 [0,2,0,0,0,0|1,0,0]=3 1560 B14R0.1358 CCOC(=O)C(SCCCF)C(=O)CC 62a_100011934791_100000687759 [0,2,0,0,0,0|1,0,0]=3 1561 B14R0.1358 CCOC(=O)C(SCCCO)C(=O)CC 62a_100000687759_100011215043 [0,2,0,0,0,0|1,0,0]=3 1562 B14R0.1358 CCOC(=O)C(SCCCO)C(=O)CC 62a_100011215043_100000687759 [0,2,0,0,0,0|1,0,0]=3 1563 B14R0.1358 CCOC(=O)C(SCCOC)C(=O)CC 62a_100000233755_100000687759 [0,2,0,0,0,0|1,0,0]=3 1564 B14R0.1358 CCOC(=O)C(SCCOC)C(=O)CC 62a_100000687759_100000233755 [0,2,0,0,0,0|1,0,0]=3 1565 B14R0.1358 CCOC(=O)C(SCCSC)C(=O)CC 62a_100000212216_100000687759 [0,2,0,0,0,0|1,0,0]=3 1566 B14R0.1358 CCOC(=O)C(SCCSC)C(=O)CC 62a_100000687759_100000751147 [0,2,0,0,0,0|1,0,0]=3 1567 B14R0.1358 CCOCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000739092 [0,2,0,0,0,0|1,0,0]=3 1568 B14R0.1358 CCOCSC(C(=O)CC)C(=O)OCC 62a_100000739092_100000687759 [0,2,0,0,0,0|1,0,0]=3 1569 B14R0.2196 C#CCCCNC(C(=O)C)C(=O)OCC 34a_100000718082_100009831564 [0,2,0,0,0,0|0,0,1]=3 1570 B14R0.2196 C#CCCCOC(C(=O)C)C(=O)OCC 34a_100000215630_100009831564 [0,2,0,0,0,0|0,0,1]=3 1571 B14R0.2196 C#CCCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100011215417 [0,2,0,0,0,0|0,0,1]=3 1572 B14R0.2196 C#CCCCSC(C(=O)C)C(=O)OCC 62a_100011215417_100000211040 [0,2,0,0,0,0|0,0,1]=3 1573 B14R0.2196 C/C=C/CCOC(C(=O)C)C(=O)OCC 34a_100016278192_100009831564 [0,2,0,0,0,0|0,0,1]=3 1574 B14R0.2196 C=CCCCNC(C(=O)C)C(=O)OCC 34a_100000700776_100009831564 [0,2,0,0,0,0|0,0,1]=3 1575 B14R0.2196 C=CCCCOC(C(=O)C)C(=O)OCC 34a_100000758997_100009831564 [0,2,0,0,0,0|0,0,1]=3 1576 B14R0.2196 C=CCCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000757094 [0,2,0,0,0,0|0,0,1]=3 1577 B14R0.2196 C=CCCCSC(C(=O)C)C(=O)OCC 62a_100011713584_100000211040 [0,2,0,0,0,0|0,0,1]=3 1578 B14R0.2196 C=COCCOC(C(=O)C)C(=O)OCC 34a_100000033082_100009831564 [0,2,0,0,0,0|0,0,2]=4 1579 B14R0.2196 C=COCCSC(C(=O)C)C(=O)OCC 62a_100000039644_100000211040 [0,2,0,0,0,0|0,0,2]=4 1580 B14R0.2196 C=COCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000039644 [0,2,0,0,0,0|0,0,2]=4 1581 B14R0.2196 CC#CCCOC(C(=O)C)C(=O)OCC 34a_100000750427_100009831564 [0,2,0,0,0,0|0,0,1]=3 1582 B14R0.2196 CC/C=C\COC(C(=O)C)C(=O)OCC 34a_100016268518_100009831564 [0,2,0,0,0,0|0,0,1]=3 1583 B14R0.2196 CC/C=C\CSC(C(=O)C)C(=O)OCC 62a_100000211040_100103147603 [0,2,0,0,0,0|0,0,1]=3 1584 B14R0.2196 CC/C=C\CSC(C(=O)C)C(=O)OCC 62a_100103147603_100000211040 [0,2,0,0,0,0|0,0,1]=3 1585 B14R0.2196 CCC#CCOC(C(=O)C)C(=O)OCC 34a_100000032950_100009831564 [0,2,0,0,0,0|0,0,1]=3 1586 B14R0.2196 CCC#CCSC(C(=O)C)C(=O)OCC 62a_100000211040_100009813939 [0,2,0,0,0,0|0,0,1]=3 1587 B14R0.2196 CCC#CCSC(C(=O)C)C(=O)OCC 62a_100009813939_100000211040 [0,2,0,0,0,0|0,0,1]=3 1588 B14R0.2196 CCCCCCC(C(=O)C)C(=O)OCC 1458a_100000070787_200009813390 [0,2,0,0,0,0|0,0,0]=2 1589 B14R0.2196 CCCCCCC(C(=O)OCC)N(C)C 2230a_100102631434_200009813390 [0,2,0,0,0,0|2,0,0]=4 1590 B14R0.2196 CCCCCCC(C(=O)OCC)N(C)C 269982a_100102631434_200009813390 [0,2,0,0,0,0|2,0,0]=4 1591 B14R0.2196 CCCCCOC(C(=O)C)C(=O)OCC 34a_100000210253_100009831564 [0,2,0,0,0,0|0,0,0]=2 1592 B14R0.2196 CCCCCOC(C(=O)OCC)C(C)C 34a_100000210253_100000740032 [0,2,0,0,0,0|1,0,1]=4 1593 B14R0.2196 CCCCCOC(C(=O)OCC)C(C)C 7a_100000210253_100000740032 [0,2,0,0,0,0|1,0,1]=4 1594 B14R0.2196 CCCCCSC(C(=O)C)C(=O)OCC 62a_100000210326_100000211040 [0,2,0,0,0,0|0,0,0]=2 1595 B14R0.2196 CCCCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000210326 [0,2,0,0,0,0|0,0,0]=2 1596 B14R0.2196 CCCCCSC(C(=O)OCC)C(C)C 62a_100000210326_100000740032 [0,2,0,0,0,0|1,0,1]=4 1597 B14R0.2196 CCCCCSC(C(=O)OCC)C(C)C 62a_100000740032_100000210326 [0,2,0,0,0,0|1,0,1]=4 1598 B14R0.2196 CCOC(=O)C(NCCCCO)C(=O)C 34a_100000750430_100009831564 [0,2,0,0,0,0|0,0,0]=2 1599 B14R0.2196 CCOC(=O)C(NCCCCO)C(C)C 34a_100000750430_100000740032 [0,2,0,0,0,0|1,0,1]=4 1600 B14R0.2196 CCOC(=O)C(NCCCOC)C(=O)C 34a_100150723488_100009831564 [0,2,0,0,0,0|0,0,0]=2 1601 B14R0.2196 CCOC(=O)C(NCCCOC)C(C)C 34a_100150723488_100000740032 [0,2,0,0,0,0|1,0,1]=4 1602 B14R0.2196 CCOC(=O)C(OCC#CCCl)C(=O)C 34a_200000047223_100009831564 [0,2,0,0,0,0|0,0,2]=4 1603 B14R0.2196 CCOC(=O)C(OCCCCBr)C(=O)C 34a_100011216708_100009831564 [0,2,0,0,0,0|0,0,0]=2 1604 B14R0.2196 CCOC(=O)C(OCCCCBr)C(C)C 34a_100011216708_100000740032 [0,2,0,0,0,0|1,0,1]=4 1605 B14R0.2196 CCOC(=O)C(OCCCCCl)C(=O)C 34a_100000210776_100009831564 [0,2,0,0,0,0|0,0,0]=2 1606 B14R0.2196 CCOC(=O)C(OCCCCCl)C(C)C 34a_100000210776_100000740032 [0,2,0,0,0,0|1,0,1]=4 1607 B14R0.2196 CCOC(=O)C(OCCCCCl)C(C)C 7a_100000210776_100000740032 [0,2,0,0,0,0|1,0,1]=4 1608 B14R0.2196 CCOC(=O)C(OCCCCF)C(=O)C 34a_100011995726_100009831564 [0,2,0,0,0,0|0,0,0]=2 1609 B14R0.2196 CCOC(=O)C(OCCCCF)C(C)C 34a_100011995726_100000740032 [0,2,0,0,0,0|1,0,1]=4 1610 B14R0.2196 CCOC(=O)C(OCCCCF)C(C)C 7a_100011995726_100000740032 [0,2,0,0,0,0|1,0,1]=4 1611 B14R0.2196 CCOC(=O)C(OCCCCI)C(=O)C 34a_200012148704_100009831564 [0,2,0,0,0,0|0,0,0]=2 1612 B14R0.2196 CCOC(=O)C(OCCCCI)C(C)C 34a_200012148704_100000740032 [0,2,0,0,0,0|1,0,1]=4 1613 B14R0.2196 CCOC(=O)C(OCCCCN)C(=O)C 34a_100000750430_100009831564 [0,2,0,0,0,0|0,0,0]=2 1614 B14R0.2196 CCOC(=O)C(OCCCCN)C(C)C 34a_100000750430_100000740032 [0,2,0,0,0,0|1,0,1]=4 1615 B14R0.2196 CCOC(=O)C(OCCCNC)C(=O)C 34a_100000213112_100009831564 [0,2,0,0,0,0|0,0,0]=2 1616 B14R0.2196 CCOC(=O)C(OCCCNC)C(C)C 34a_100000213112_100000740032 [0,2,0,0,0,0|1,0,1]=4 1617 B14R0.2196 CCOC(=O)C(OCCCOC)C(=O)C 34a_100000740835_100009831564 [0,2,0,0,0,0|0,0,0]=2 1618 B14R0.2196 CCOC(=O)C(OCCCOC)C(C)C 34a_100000740835_100000740032 [0,2,0,0,0,0|1,0,1]=4 1619 B14R0.2196 CCOC(=O)C(OCCCSC)C(=O)C 34a_100000690336_100009831564 [0,2,0,0,0,0|0,0,0]=2 1620 B14R0.2196 CCOC(=O)C(OCCCSC)C(C)C 34a_100000690336_100000740032 [0,2,0,0,0,0|1,0,1]=4 1621 B14R0.2196 CCOC(=O)C(OCCCSC)C(C)C 7a_100000690336_100000740032 [0,2,0,0,0,0|1,0,1]=4 1622 B14R0.2196 CCOC(=O)C(OCCSCC)C(=O)C 34a_100000212035_100009831564 [0,2,0,0,0,0|0,0,0]=2 1623 B14R0.2196 CCOC(=O)C(OCCSCC)C(C)C 34a_100000212035_100000740032 [0,2,0,0,0,0|1,0,1]=4 1624 B14R0.2196 CCOC(=O)C(OCCSCC)C(C)C 7a_100000212035_100000740032 [0,2,0,0,0,0|1,0,1]=4 1625 B14R0.2196 CCOC(=O)C(SCC#CCO)C(=O)C 62a_100000211040_200000047223 [0,2,0,0,0,0|0,0,2]=4 1626 B14R0.2196 CCOC(=O)C(SCC#CCO)C(=O)C 62a_200000047223_100000211040 [0,2,0,0,0,0|0,0,2]=4 1627 B14R0.2196 CCOC(=O)C(SCCCC#N)C(=O)C 62a_100000211040_100000687738 [0,2,0,0,0,0|0,0,1]=3 1628 B14R0.2196 CCOC(=O)C(SCCCC#N)C(=O)C 62a_100000687738_100000211040 [0,2,0,0,0,0|0,0,1]=3 1629 B14R0.2196 CCOC(=O)C(SCCCC=O)C(=O)C 62a_100000211040_200011292268 [0,2,0,0,0,0|0,0,1]=3 1630 B14R0.2196 CCOC(=O)C(SCCCC=O)C(=O)C 62a_200011292268_100000211040 [0,2,0,0,0,0|0,0,1]=3 1631 B14R0.2196 CCOC(=O)C(SCCCCF)C(=O)C 62a_100000211040_100000729493 [0,2,0,0,0,0|0,0,0]=2 1632 B14R0.2196 CCOC(=O)C(SCCCCF)C(=O)C 62a_100000729493_100000211040 [0,2,0,0,0,0|0,0,0]=2 1633 B14R0.2196 CCOC(=O)C(SCCCCF)C(C)C 62a_100000729493_100000740032 [0,2,0,0,0,0|1,0,1]=4 1634 B14R0.2196 CCOC(=O)C(SCCCCF)C(C)C 62a_100000740032_100000729493 [0,2,0,0,0,0|1,0,1]=4 1635 B14R0.2196 CCOC(=O)C(SCCCCO)C(=O)C 62a_100000210776_100000211040 [0,2,0,0,0,0|0,0,0]=2 1636 B14R0.2196 CCOC(=O)C(SCCCCO)C(=O)C 62a_100000211040_100000210776 [0,2,0,0,0,0|0,0,0]=2 1637 B14R0.2196 CCOC(=O)C(SCCCCO)C(C)C 62a_100000210776_100000740032 [0,2,0,0,0,0|1,0,1]=4 1638 B14R0.2196 CCOC(=O)C(SCCCCO)C(C)C 62a_100000740032_100000210776 [0,2,0,0,0,0|1,0,1]=4 1639 B14R0.2196 CCOC(=O)C(SCCCOC)C(=O)C 62a_100000211040_100000709357 [0,2,0,0,0,0|0,0,0]=2 1640 B14R0.2196 CCOC(=O)C(SCCCOC)C(=O)C 62a_100000709357_100000211040 [0,2,0,0,0,0|0,0,0]=2 1641 B14R0.2196 CCOC(=O)C(SCCCOC)C(C)C 62a_100000709357_100000740032 [0,2,0,0,0,0|1,0,1]=4 1642 B14R0.2196 CCOC(=O)C(SCCCOC)C(C)C 62a_100000740032_100000709357 [0,2,0,0,0,0|1,0,1]=4 1643 B14R0.2196 CCOC(=O)C(SCCSC#N)C(=O)C 62a_100000034367_100000211040 [0,2,0,0,0,0|1,0,1]=4 1644 B14R0.2196 CCOC(=O)C(SCCSC#N)C(=O)C 62a_100000211040_100000034367 [0,2,0,0,0,0|1,0,1]=4 1645 B14R0.2196 CCOC(=O)C(SCCSCC)C(=O)C 62a_100000211040_100000757381 [0,2,0,0,0,0|0,0,0]=2 1646 B14R0.2196 CCOC(=O)C(SCCSCC)C(=O)C 62a_100000757381_100000211040 [0,2,0,0,0,0|0,0,0]=2 1647 B14R0.2196 CCOC(=O)C(SCCSCC)C(C)C 62a_100000740032_100000757381 [0,2,0,0,0,0|1,0,1]=4 1648 B14R0.2196 CCOC(=O)C(SCCSCC)C(C)C 62a_100000757381_100000740032 [0,2,0,0,0,0|1,0,1]=4 1649 B14R0.2196 CCOCCNC(C(=O)C)C(=O)OCC 34a_102516460346_100009831564 [0,2,0,0,0,0|0,0,0]=2 1650 B14R0.2196 CCOCCNC(C(=O)OCC)C(C)C 34a_102516460346_100000740032 [0,2,0,0,0,0|1,0,1]=4 1651 B14R0.2196 CCOCCOC(C(=O)C)C(=O)OCC 34a_100000210136_100009831564 [0,2,0,0,0,0|0,0,0]=2 1652 B14R0.2196 CCOCCOC(C(=O)OCC)C(C)C 34a_100000210136_100000740032 [0,2,0,0,0,0|1,0,1]=4 1653 B14R0.2196 CCOCCOC(C(=O)OCC)C(C)C 7a_100000210136_100000740032 [0,2,0,0,0,0|1,0,1]=4 1654 B14R0.2196 CCOCCSC(C(=O)C)C(=O)OCC 62a_100000210147_100000211040 [0,2,0,0,0,0|0,0,0]=2 1655 B14R0.2196 CCOCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100011215890 [0,2,0,0,0,0|0,0,0]=2 1656 B14R0.2196 CCOCCSC(C(=O)OCC)C(C)C 62a_100000210147_100000740032 [0,2,0,0,0,0|1,0,1]=4 1657 B14R0.2196 CCOCCSC(C(=O)OCC)C(C)C 62a_100000740032_100011215890 [0,2,0,0,0,0|1,0,1]=4 1658 B14R0.1084 C#CCC(=O)C(CCCC)C(=O)OCC 1458a_100011220946_200009813700 [0,2,0,0,0,0|0,0,0]=2 1659 B14R0.1084 C#CCN(C)C(CCCC)C(=O)OCC 2230a_100000225692_200009813700 [0,2,0,0,0,0|2,0,0]=4 1660 B14R0.1084 C#CCN(C)C(CCCC)C(=O)OCC 34a_100000225692_200009813700 [0,2,0,0,0,0|2,0,0]=4 1661 B14R0.1084 C=CCC(=O)C(CCCC)C(=O)OCC 1458a_100000210193_200009813700 [0,2,0,0,0,0|0,0,0]=2 1662 B14R0.1084 C=CCN(C)C(CCCC)C(=O)OCC 2230a_100000225617_200009813700 [0,2,0,0,0,0|2,0,0]=4 1663 B14R0.1084 C=CCN(C)C(CCCC)C(=O)OCC 269982a_100000225617_200009813700 [0,2,0,0,0,0|2,0,0]=4 1664 B14R0.1084 CC#CC(=O)C(CCCC)C(=O)OCC 1458a_100000763181_200009813700 [0,2,0,0,0,0|0,0,0]=2 1665 B14R0.1084 CC=CC(=O)C(CCCC)C(=O)OCC 1458a_100000210699_200009813700 [0,2,0,0,0,0|0,0,0]=2 1666 B14R0.1084 CCCCC(C(=O)C=CBr)C(=O)OCC 1458a_100016273825_200009813700 [0,2,0,0,0,0|0,0,1]=3 1667 B14R0.1084 CCCCC(C(=O)C=CCl)C(=O)OCC 1458a_200016279998_200009813700 [0,2,0,0,0,0|0,0,1]=3 1668 B14R0.1084 CCCCC(C(=O)C=CI)C(=O)OCC 1458a_100016256311_200009813700 [0,2,0,0,0,0|0,0,1]=3 1669 B14R0.1084 CCCCC(C(=O)CC#N)C(=O)OCC 1458a_100051588842_200009813700 [0,2,0,0,0,0|0,0,0]=2 1670 B14R0.1084 CCCCC(C(=O)CCC)C(=O)OCC 1458a_100000211992_200009813700 [0,2,0,0,0,0|0,0,0]=2 1671 B14R0.1084 CCCCC(C(=O)CCO)C(=O)OCC 1458a_100011216618_200009813700 [0,2,0,0,0,0|0,0,0]=2 1672 B14R0.1084 CCCCC(C(=O)COC)C(=O)OCC 1458a_100000210968_200009813700 [0,2,0,0,0,0|0,0,0]=2 1673 B14R0.1084 CCCCC(C(=O)CSC)C(=O)OCC 1458a_100000184570_200009813700 [0,2,0,0,0,0|0,0,0]=2 1674 B14R0.1084 CCCCC(C(=O)OCC)N(C)CC#N 2230a_100000748184_200009813700 [0,2,0,0,0,0|2,0,0]=4 1675 B14R0.1084 CCCCC(C(=O)OCC)N(C)CCC 2230a_100000747261_200009813700 [0,2,0,0,0,0|2,0,0]=4 1676 B14R0.1084 CCCCC(C(=O)OCC)N(C)CCC 269982a_100000747261_200009813700 [0,2,0,0,0,0|2,0,0]=4 1677 B14R0.1084 CCCCC(C(=O)OCC)N(C)CCO 2230a_100000210263_200009813700 [0,2,0,0,0,0|1,0,1]=4 1678 B14R0.1084 CCCCC(C(=O)OCC)N(C)CCO 269982a_100000210263_200009813700 [0,2,0,0,0,0|1,0,1]=4 1679 B14R0.1084 CCCOC(C(=O)OCC)C(=O)OCC 34a_100000210258_100000243710 [0,2,0,0,0,0|1,0,0]=3 1680 B14R0.1084 CCCSC(C(=O)OCC)C(=O)OCC 62a_100000210303_100000243710 [0,2,0,0,0,0|1,0,0]=3 1681 B14R0.1084 CCCSC(C(=O)OCC)C(=O)OCC 62a_100000243710_100000210303 [0,2,0,0,0,0|1,0,0]=3 1682 B14R0.1084 CCOC(=O)C(CCNC)C(=O)OCC 2230a_106832991635_100010004193 [0,2,0,0,0,0|1,0,0]=3 1683 B14R0.1084 CCOC(=O)C(CCNC)C(=O)OCC 34a_100102657272_100010004193 [0,2,0,0,0,0|1,0,0]=3 1684 B14R0.1084 CCOC(=O)C(CCOC)C(=O)OCC 34a_100138415774_100010004193 [0,2,0,0,0,0|1,0,0]=3 1685 B14R0.1084 CCOC(=O)C(CCSC)C(=O)OCC 62a_100010004193_200000210301 [0,2,0,0,0,0|1,0,0]=3 1686 B14R0.1084 CCOC(=O)C(CCSC)C(=O)OCC 62a_200000210301_100010004193 [0,2,0,0,0,0|1,0,0]=3 1687 B14R0.1084 CCOC(=O)C(CCS[13CH3])C(=O)OCC 62a_100010004193_200025704644 [0,2,0,0,0,0|1,0,0]=3 1688 B14R0.1084 CCOC(=O)C(CCS[13CH3])C(=O)OCC 62a_200025704644_100010004193 [0,2,0,0,0,0|1,0,0]=3 1689 B14R0.1084 CCOC(=O)C(NCCF)C(=O)OCC 34a_100000724931_100000243710 [0,2,0,0,0,0|2,0,0]=4 1690 B14R0.1084 CCOC(=O)C(NCCO)C(=O)OCC 34a_100016990907_100000243710 [0,2,0,0,0,0|2,0,0]=4 1691 B14R0.1084 CCOC(=O)C(OCCBr)C(=O)OCC 34a_100000211926_100000243710 [0,2,0,0,0,0|2,0,0]=4 1692 B14R0.1084 CCOC(=O)C(OCCN)C(=O)OCC 34a_100000210304_100000243710 [0,2,0,0,0,0|2,0,0]=4 1693 B14R0.1084 CCOC(=O)C(SCCF)C(=O)OCC 62a_100000243710_100011217306 [0,2,0,0,0,0|2,0,0]=4 1694 B14R0.1084 CCOC(=O)C(SCCF)C(=O)OCC 62a_100011217306_100000243710 [0,2,0,0,0,0|2,0,0]=4 1695 B14R0.1084 CCOC(=O)C(SCCO)C(=O)OCC 62a_100000211926_100000243710 [0,2,0,0,0,0|2,0,0]=4 1696 B14R0.1084 CCOC(=O)C(SCCO)C(=O)OCC 62a_100000243710_100000211926 [0,2,0,0,0,0|2,0,0]=4 1697 B14R0.1084 CCOC(=O)C(SCOC)C(=O)OCC 62a_100000243710_100000766300 [0,2,0,0,0,0|2,0,0]=4 1698 B14R0.1084 CCOC(=O)C(SCOC)C(=O)OCC 62a_100000766300_100000243710 [0,2,0,0,0,0|2,0,0]=4 1699 B14R0.1084 CCOC(=O)C(SCSC)C(=O)OCC 62a_100000243710_100011218213 [0,2,0,0,0,0|2,0,0]=4 1700 B14R0.1084 CCOC(=O)C(SCSC)C(=O)OCC 62a_100011218213_100000243710 [0,2,0,0,0,0|2,0,0]=4 1701 B14R0.1086 CCCCC(C(=O)OCC)N(CC)CC 2230a_100000724800_200009813700 [0,2,0,0,0,0|2,0,0]=4 1702 B14R0.1086 CCCCC(C(=O)OCC)N(CC)CC 269956a_100000042499_200009813700 [0,2,0,0,0,0|2,0,0]=4 1703 B14R0.1086 CCCCC(C(=O)OCC)N(CC)CC 269982a_100000724800_200009813700 [0,2,0,0,0,0|2,0,0]=4 1704 B14R0.2486 CCCCC(C(=O)C=C(C)C)C(=O)OC 1458a_100000211388_100000750740 [0,2,0,0,0,0|1,0,1]=4 1705 B14R0.2486 CCCCC(C(=O)C=C(C)Cl)C(=O)OC 1458a_200042562850_100000750740 [0,2,0,0,0,0|1,0,1]=4 1706 B14R0.2486 CCCCC(C(=O)C=C(C)I)C(=O)OC 1458a_100025716642_100000750740 [0,2,0,0,0,0|1,0,1]=4 1707 B14R0.2486 CCCCC(C(=O)CC(C)C)C(=O)OC 1458a_100000210554_100000750740 [0,2,0,0,0,0|1,0,0]=3 1708 B14R0.2486 CCCCC(C(=O)CN(C)C)C(=O)OC 1458a_100000750896_100000750740 [0,2,0,0,0,0|2,0,0]=4 1709 B14R0.2486 CCCCC(C(=O)C[C@@H](C)O)C(=O)OC 1458a_100011933948_100000750740 [0,2,0,0,0,0|1,0,0]=3 1710 B14R0.2486 CCCCC(C(=O)C[S+](C)C)C(=O)OC 1458a_200159257847_100000750740 [0,2,0,0,0,0|2,0,0]=4 1711 B14R0.619 CCCCC(C(=O)N)C(=O)CC(C)(C)C 1458a_100000211214_100000748834 [0,2,0,0,0,0|2,0,0]=4 1712 B14R0.619 CCCCC(C(=O)N)C(=O)CC(C)(C)O 1458a_100000693243_100000748834 [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [1,0,0,1,0,0|2,0,0]=4 1714 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [1,0,0,1,0,0|2,0,0]=4 1715 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [1,0,0,1,0,0|2,0,0]=4 1716 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [1,0,0,1,0,0|2,0,0]=4 1717 B12R1.308 CC#CC(=O)C1CCCCC1=O 1458a_100000763181_100000204591 [1,0,0,1,0,0|1,0,1]=4 1718 B12R1.308 CC=CC(=O)C1CCCCC1=O 1458a_100000210699_100000204591 [1,0,0,1,0,0|1,0,1]=4 1719 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [1,0,0,1,0,0|1,0,0]=3 1720 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210303 [1,0,0,1,0,0|2,0,0]=4 1721 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000211992_100000687798 [1,0,0,1,0,0|2,0,0]=4 1722 B12R1.308 CCCC(=O)C1COCCC1=O 1458a_100000211992_100012180262 [1,0,0,1,0,0|2,0,0]=4 1723 B12R1.308 CCNC(=O)C1CCCNC1=O 11a_100015525214_100000087122 [1,0,0,1,0,0|2,0,0]=4 1724 B12R1.308 CCNC(=O)C1CCCNC1=O 240690a_100015525214_100000087122 [1,0,0,1,0,0|2,0,0]=4 1725 B12R1.308 CCNC(=O)C1CCCNC1=O 527a_100015525214_100000087122 [1,0,0,1,0,0|2,0,0]=4 1726 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [1,0,0,1,0,0|2,0,0]=4 1727 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [1,0,0,1,0,0|2,0,0]=4 1728 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [1,0,0,1,0,0|2,0,0]=4 1729 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [1,0,0,1,0,0|2,0,0]=4 1730 B12R1.308 COCC(=O)C1CCCCC1=O 1458a_100000210968_100000204591 [1,0,0,1,0,0|2,0,0]=4 1731 B12R1.308 CSCC(=O)C1CCCCC1=O 1458a_100000184570_100000204591 [1,0,0,1,0,0|2,0,0]=4 1732 B12R1.308 O=C(CCO)C1CCCCC1=O 1458a_100011216618_100000204591 [1,0,0,1,0,0|2,0,0]=4 1733 B12R1.313 CCCC(=O)C1CC(OC1=O)C 1458a_100000211992_200000216747 [1,0,0,1,0,0|2,0,0]=4 1734 B12R1.1577 CCOC(=O)C(C(=O)C)C1CC1 1458a_100000070787_100010073418 [1,0,0,1,0,0|0,0,0]=2 1735 B12R1.1577 CCOC(=O)C(C1CC1)N(C)C 2230a_100102631434_100010073418 [1,0,0,1,0,0|2,0,0]=4 1736 B12R1.1577 CCOC(=O)C(C1CC1)N(C)C 269982a_100102631434_100010073418 [1,0,0,1,0,0|2,0,0]=4 1737 B12R1.1599 CCCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210303 [1,0,0,1,0,0|2,0,0]=4 1738 B12R1.1599 CCNC(=O)C1(CCC1)C(=O)N 11a_100015525214_100000751621 [1,0,0,1,0,0|2,0,0]=4 1739 B12R1.1599 CCNC(=O)C1(CCC1)C(=O)N 240690a_100015525214_100000751621 [1,0,0,1,0,0|2,0,0]=4 1740 B12R1.1599 CCNC(=O)C1(CCC1)C(=O)N 527a_100015525214_100000751621 [1,0,0,1,0,0|2,0,0]=4 1741 B12R1.1599 CCOC(=O)C1(CCC1)C(=O)C 1458a_100000070456_200000210301 [1,0,0,1,0,0|0,0,0]=2 1742 B12R1.1599 CCOC(=O)C1(CCC1)C(=O)C 1458a_100000070787_100009814009 [1,0,0,1,0,0|0,0,0]=2 1743 B12R1.1599 CCOC(=O)C1(CCC1)C(=O)[13CH3] 1458a_100000070456_200025704644 [1,0,0,1,0,0|0,0,0]=2 1744 B12R1.1599 CCOC(=O)C1(CCC1)N(C)C 269982a_100102631434_100009814009 [1,0,0,1,0,0|2,0,0]=4 1745 B12R1.2614 CC(=O)C1(CCOC1=O)SCF 62a_100000088255_100015361967 [1,0,0,1,0,0|2,0,0]=4 1746 B12R1.2614 CC(=O)C1(CCOC1=O)SCF 62a_100015361967_100000088255 [1,0,0,1,0,0|2,0,0]=4 1747 B12R1.2614 CCOC1(CCOC1=O)C(=O)C 34a_100121572206_100000088255 [1,0,0,1,0,0|1,0,0]=3 1748 B12R1.2614 CCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000210202 [1,0,0,1,0,0|1,0,0]=3 1749 B12R1.2614 CCSC1(CCOC1=O)C(=O)C 62a_100000210202_100000088255 [1,0,0,1,0,0|1,0,0]=3 1750 B12R1.365 C#CC(=O)C1CCCCCC1=O 1458a_100000211873_100000243696 [1,0,0,1,0,0|0,0,2]=4 1751 B12R1.365 C=CC(=O)C1CCCCCC1=O 1458a_100000185746_100000243696 [1,0,0,1,0,0|0,0,2]=4 1752 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [1,0,0,1,0,0|0,0,0]=2 1753 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [1,0,0,1,0,0|2,0,0]=4 1754 B12R1.365 CCC(=O)C1CCCCNC1=O 1458a_100000210414_100000735217 [1,0,0,1,0,0|1,0,0]=3 1755 B12R1.365 CCN(C)C1CCCCCC1=O 269982a_100000225621_100000243696 [1,0,0,1,0,0|2,0,0]=4 1756 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [1,0,0,1,0,0|1,0,0]=3 1757 B12R1.365 O=C(CO)C1CCCCNC1=O 1458a_100000210174_100000735217 [1,0,0,1,0,0|2,0,0]=4 1758 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100000210303_100009814513 [1,0,0,1,0,0|1,0,0]=3 1759 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100009814513_100000210303 [1,0,0,1,0,0|1,0,0]=3 1760 B12R1.1631 COCSC1C(=O)CCCC1=O 62a_100000766300_100009814513 [1,0,0,1,0,0|2,0,0]=4 1761 B12R1.1631 COCSC1C(=O)CCCC1=O 62a_100009814513_100000766300 [1,0,0,1,0,0|2,0,0]=4 1762 B12R1.1631 CSCSC1C(=O)CCCC1=O 62a_100009814513_100011218213 [1,0,0,1,0,0|2,0,0]=4 1763 B12R1.1631 CSCSC1C(=O)CCCC1=O 62a_100011218213_100009814513 [1,0,0,1,0,0|2,0,0]=4 1764 B12R1.1631 O=C1CCCC(=O)C1NCCO 2230a_100016997473_100009814513 [1,0,0,1,0,0|2,0,0]=4 1765 B12R1.1631 O=C1CCCC(=O)C1SCCF 62a_100009814513_100011217306 [1,0,0,1,0,0|2,0,0]=4 1766 B12R1.1631 O=C1CCCC(=O)C1SCCF 62a_100011217306_100009814513 [1,0,0,1,0,0|2,0,0]=4 1767 B12R1.1631 O=C1CCCC(=O)C1SCCO 62a_100000211926_100009814513 [1,0,0,1,0,0|2,0,0]=4 1768 B12R1.1631 O=C1CCCC(=O)C1SCCO 62a_100009814513_100000211926 [1,0,0,1,0,0|2,0,0]=4 1769 B12R1.1691 CNC(=O)C(C(=O)C)N1CCC1 269982a_100000754969_100000210987 [1,0,0,1,0,0|2,0,0]=4 1770 B12R1.3432 CNC(=O)C(SC1CC1)C(=O)C 62a_100000210987_100000211595 [1,0,0,1,0,0|2,0,0]=4 1771 B12R1.3432 COC(=O)C(SC1CC1)C(=O)C 62a_100011215331_100000211595 [1,0,0,1,0,0|1,0,0]=3 1772 B12R1.16 CCCC(=O)C1CCC(CC1)C 1458a_100000211992_200011216234 [1,0,0,1,0,0|1,0,1]=4 1773 B12R1.16 CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210303 [1,0,0,1,0,0|1,0,1]=4 1774 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100015525214_100009815934 [1,0,0,1,0,0|1,0,1]=4 1775 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100015525214_100009815934 [1,0,0,1,0,0|1,0,1]=4 1776 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100015525214_100009815934 [1,0,0,1,0,0|1,0,1]=4 1777 B12R1.16 CCOC(=O)C1CCN(CC1)C 2230a_100000210402_200000210301 [1,0,0,1,0,0|1,0,1]=4 1778 B12R1.16 CCOC(=O)C1CCN(CC1)C 269982a_100000210402_200000210301 [1,0,0,1,0,0|1,0,1]=4 1779 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 2230a_100000210402_200025704644 [1,0,0,1,0,0|1,0,1]=4 1780 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 269982a_100000210402_200025704644 [1,0,0,1,0,0|1,0,1]=4 1781 B12R1.312 CCOC(=O)C1CCC(C1)NC 270004a_106832991635_100000077466 [1,0,0,1,0,0|1,0,1]=4 1782 B12R1.312 CCOC(=O)C1CCN(C1)CC 2230a_100016987290_100000210202 [1,0,0,1,0,0|1,0,1]=4 1783 B12R1.312 CCOC(=O)C1CCN(C1)CC 269982a_100016987290_100000204670 [1,0,0,1,0,0|1,0,1]=4 1784 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [1,0,0,1,0,0|1,0,1]=4 1785 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [1,0,0,1,0,0|1,0,1]=4 1786 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [1,0,0,1,0,0|1,0,1]=4 1787 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [1,0,0,1,0,0|1,0,1]=4 1788 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [1,0,0,1,0,0|1,0,1]=4 1789 B12R1.1574 CCOC(=O)C(CC)N1CCC1 269982a_100000754969_100000212269 [1,0,0,1,0,0|1,0,1]=4 1790 B12R1.1574 CCOC(=O)C(SC)N1CCC1 269982a_100000754969_100009893047 [1,0,0,1,0,0|2,0,0]=4 1791 B12R1.1576 CCOC(=O)C(C=O)SC1CC1 62a_100000053139_100000211595 [1,0,0,1,0,0|1,0,0]=3 1792 B12R1.1576 CCOC(=O)C(CC)NC1CC1 34a_100000212008_100000212269 [1,0,0,1,0,0|1,0,1]=4 1793 B12R1.1576 CCOC(=O)C(CC)OC1CC1 34a_100011216719_100000211595 [1,0,0,1,0,0|1,0,1]=4 1794 B12R1.1576 CCOC(=O)C(CC)SC1CC1 62a_100000212269_100000211595 [1,0,0,1,0,0|1,0,1]=4 1795 B12R1.1576 CCOC(=O)C(NC1CC1)SC 34a_100000212008_100009893047 [1,0,0,1,0,0|2,0,0]=4 1796 B12R1.1576 CCOC(=O)C(SC)SC1CC1 62a_100009893047_100000211595 [1,0,0,1,0,0|2,0,0]=4 1797 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000137746_100000210303 [1,0,0,1,0,0|2,0,0]=4 1798 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000211992_100000755940 [1,0,0,1,0,0|2,0,0]=4 1799 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 11a_100015525214_100000137746 [1,0,0,1,0,0|2,0,0]=4 1800 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 240690a_100015525214_100000137746 [1,0,0,1,0,0|2,0,0]=4 1801 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 527a_100015525214_100000137746 [1,0,0,1,0,0|2,0,0]=4 1802 B12R1.1765 CCCCC(CC)C(=O)C1CC1 1458a_100000210395_200011216223 [1,0,0,1,0,0|1,0,1]=4 1803 B12R1.1781 CCCOC1(CC1)C(=O)OCC 34a_100000210258_100009861064 [1,0,0,1,0,0|1,0,1]=4 1804 B12R1.1781 CCCOC1(CC1)C(=O)OCC 7a_200011934196_100000210303 [1,0,0,1,0,0|1,0,1]=4 1805 B12R1.1781 CCCSC1(CC1)C(=O)OCC 62a_100000210303_100009861064 [1,0,0,1,0,0|1,0,1]=4 1806 B12R1.1781 CCCSC1(CC1)C(=O)OCC 62a_100009861064_100000210303 [1,0,0,1,0,0|1,0,1]=4 1807 B12R1.1781 CCNCC1(CC1)C(=O)OCC 2230a_100015525214_100010983122 [1,0,0,1,0,0|1,0,1]=4 1808 B12R1.1781 CCOC(=O)C1(CC1)CSCC 62a_100000210202_100010983122 [1,0,0,1,0,0|1,0,1]=4 1809 B12R1.1781 CCOC(=O)C1(CC1)CSCC 62a_100010983122_100000210202 [1,0,0,1,0,0|1,0,1]=4 1810 B12R1.1781 CCOCC1(CC1)C(=O)OCC 34a_100121572206_100010983122 [1,0,0,1,0,0|1,0,1]=4 1811 B12R1.1781 CCOCC1(CC1)C(=O)OCC 7a_100000093544_100000210202 [1,0,0,1,0,0|1,0,1]=4 1812 B14R1.623 CC(=O)N1CCCCC1C(=O)CCF 1458a_100000195068_100011217306 [0,0,0,1,0,1|2,0,0]=4 1813 B14R1.623 CC(=O)N1CCCCC1C(=O)CCO 1458a_100000195068_100000211926 [0,0,0,1,0,1|2,0,0]=4 1814 B14R1.623 CCCC(=O)C1CCCCN1C(=O)C 1458a_100000195068_100000210303 [0,0,0,1,0,1|1,0,0]=3 1815 B14R1.623 CCCC(=O)N1CCCCC1C(=O)C 1458a_100000743511_200000210301 [0,0,0,1,0,1|2,0,0]=4 1816 B14R1.623 CCCC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000743511_200025704644 [0,0,0,1,0,1|2,0,0]=4 1817 B14R1.623 CCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210303 [0,0,0,1,0,1|2,0,0]=4 1818 B14R1.623 CCNC(=O)C1CCCCN1C(=O)C 11a_100015525214_100000195068 [0,0,0,1,0,1|1,0,0]=3 1819 B14R1.623 CCNC(=O)C1CCCCN1C(=O)C 240690a_100015525214_100000195068 [0,0,0,1,0,1|1,0,0]=3 1820 B14R1.623 CCNC(=O)C1CCCCN1C(=O)C 527a_100015525214_100000195068 [0,0,0,1,0,1|1,0,0]=3 1821 B14R1.623 CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N 240690a_100015525214_200009911122 [0,0,0,1,0,1|2,0,0]=4 1822 B14R1.623 CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N 527a_100015525214_200009911122 [0,0,0,1,0,1|2,0,0]=4 1823 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 11a_100016990872_100015343762 [0,0,0,1,0,1|0,0,0]=2 1824 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 1626a_100016990872_100015343762 [0,0,0,1,0,1|0,0,0]=2 1825 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 240690a_100016990872_100015343762 [0,0,0,1,0,1|0,0,0]=2 1826 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 527a_100016990872_100103153847 [0,0,0,1,0,1|0,0,0]=2 1827 B14R1.623 CCOC(=O)C1CCCCN1C(C)C 2230a_100016990872_100000210206 [0,0,0,1,0,1|1,0,1]=4 1828 B14R1.623 CCOC(=O)C1CCCCN1C(C)C 269982a_100016990872_100000210206 [0,0,0,1,0,1|1,0,1]=4 1829 B14R1.623 CCOC(=O)C1CSCCN1C(=O)C 11a_100000735462_100015343762 [0,0,0,1,0,1|1,0,0]=3 1830 B14R1.623 CCOC(=O)C1CSCCN1C(=O)C 240690a_100000735462_100015343762 [0,0,0,1,0,1|1,0,0]=3 1831 B14R1.623 CCOC(=O)[C@@H]1COCCN1C(=O)C 11a_100015229691_100015343762 [0,0,0,1,0,1|1,0,0]=3 1832 B14R1.623 CCOC(=O)[C@@H]1COCCN1C(=O)C 240690a_100015229691_100015343762 [0,0,0,1,0,1|1,0,0]=3 1833 B14R1.623 CCOC(=O)[C@@H]1COCCN1C(=O)C 527a_100015229691_100103153847 [0,0,0,1,0,1|1,0,0]=3 1834 B14R1.623 CNNC(=O)C1CCCCN1C(=O)C 22a_100016993582_100000195068 [0,0,0,1,0,1|2,0,0]=4 1835 B14R1.4540 CCCCC(NC1CC1)C(=O)OCC 34a_100000212008_200009813700 [0,0,0,1,0,1|1,0,1]=4 1836 B14R1.4540 CCCCC(OC1CC1)C(=O)OCC 34a_200011215408_100000211595 [0,0,0,1,0,1|1,0,1]=4 1837 B14R1.4540 CCCCC(SC1CC1)C(=O)OCC 62a_200009813700_100000211595 [0,0,0,1,0,1|1,0,1]=4 1838 B14R1.7284 C=C[C@@H]1C[C@]1(NC(=O)C)C(=O)OCC 188690a_100102630678_100015343762 [0,0,0,1,0,1|0,0,2]=4 1839 B14R1.18816 CCOC(=O)C1(CCCC1)NC(=O)C 188690a_100000744832_100015343762 [0,0,0,1,0,1|0,0,0]=2 1840 B14R1.18898 CC(=O)N[C@@H](C(=O)CCF)C1CCC1 1458a_100015353301_100011217306 [0,0,0,1,0,1|2,0,0]=4 1841 B14R1.18898 CC(=O)N[C@@H](C(=O)CCO)C1CCC1 1458a_100015353301_100000211926 [0,0,0,1,0,1|2,0,0]=4 1842 B14R1.18898 CCCC(=O)[C@H](NC(=O)C)C1CCC1 1458a_100015353301_100000210303 [0,0,0,1,0,1|1,0,0]=3 1843 B14R1.18898 CCNC(=O)[C@H](NC(=O)C)C1CCC1 11a_100015525214_100015353301 [0,0,0,1,0,1|1,0,0]=3 1844 B14R1.18898 CCNC(=O)[C@H](NC(=O)C)C1CCC1 240690a_100015525214_100015353301 [0,0,0,1,0,1|1,0,0]=3 1845 B14R1.18898 CCNC(=O)[C@H](NC(=O)C)C1CCC1 527a_100015525214_100015353301 [0,0,0,1,0,1|1,0,0]=3 1846 B14R1.18898 CNNC(=O)[C@H](NC(=O)C)C1CCC1 22a_100016993582_100015353301 [0,0,0,1,0,1|2,0,0]=4 1847 B14R1.597 CCCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210303 [0,0,0,1,0,1|2,0,0]=4 1848 B14R1.597 CCCC(=O)NC1CCCCNC1=O 11a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 1849 B14R1.597 CCCC(=O)NC1CCCCNC1=O 1626a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 1850 B14R1.597 CCCC(=O)NC1CCCCNC1=O 240690a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 1851 B14R1.597 CCCC(=O)NC1CCCCNC1=O 527a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 1852 B14R1.597 CCNC(=O)CN1CCCCCC1=O 11a_100015525214_100000181294 [0,0,0,1,0,1|2,0,0]=4 1853 B14R1.597 CCNC(=O)CN1CCCCCC1=O 240690a_100015525214_100000181294 [0,0,0,1,0,1|2,0,0]=4 1854 B14R1.597 CCNC(=O)CN1CCCCCC1=O 527a_100015525214_100000181294 [0,0,0,1,0,1|2,0,0]=4 1855 B14R1.597 CCNC(=O)NC1CCCCNC1=O 2708a_100015525214_100000698827 [0,0,0,1,0,1|2,0,0]=4 1856 B14R1.597 CCNC(=O)NC1CCCCNC1=O 273464a_100000698827_100015525214 [0,0,0,1,0,1|2,0,0]=4 1857 B14R1.597 CCNC(=O)NC1CCCCNC1=O 273464a_100015525214_100000698827 [0,0,0,1,0,1|2,0,0]=4 1858 B14R1.597 CCNC(=O)NC1CCCCNC1=O 512a_100000698827_100015525214 [0,0,0,1,0,1|2,0,0]=4 1859 B14R1.597 CCNC(=O)NC1CCCCNC1=O 512a_100015525214_100000698827 [0,0,0,1,0,1|2,0,0]=4 1860 B14R1.13030 CCCC[C@H](NC(=O)C1CC1)C(=O)N 11a_100000124899_100000210395 [0,0,0,1,0,1|2,0,0]=4 1861 B14R1.13030 CCCC[C@H](NC(=O)C1CC1)C(=O)N 1626a_100000124899_100000210395 [0,0,0,1,0,1|2,0,0]=4 1862 B14R1.13030 CCCC[C@H](NC(=O)C1CC1)C(=O)N 240690a_100000124899_100000210395 [0,0,0,1,0,1|2,0,0]=4 1863 B14R1.13030 CCCC[C@H](NC(=O)C1CC1)C(=O)N 527a_100000124899_100000210395 [0,0,0,1,0,1|2,0,0]=4 1864 B14R1.13030 CSCCC(NC(=O)C1CC1)C(=O)C 1458a_100000194498_200000210301 [0,0,0,1,0,1|2,0,0]=4 1865 B14R1.13030 CSCCC(NC(=O)C1CC1)C(=O)[13CH3] 1458a_100000194498_200025704644 [0,0,0,1,0,1|2,0,0]=4 1866 B14R1.19175 CCCC(=O)NC1(CCCC1)C(=O)N 11a_100000755618_100000211992 [0,0,0,1,0,1|2,0,0]=4 1867 B14R1.19175 CCCC(=O)NC1(CCCC1)C(=O)N 1626a_100000755618_100000211992 [0,0,0,1,0,1|2,0,0]=4 1868 B14R1.19175 CCCC(=O)NC1(CCCC1)C(=O)N 527a_100000755618_100000211992 [0,0,0,1,0,1|2,0,0]=4 1869 B14R1.19175 CCNC(=O)NC1(CCCC1)C(=O)N 273464a_100000755618_100015525214 [0,0,0,1,0,1|2,0,0]=4 1870 B14R1.19175 CCNC(=O)NC1(CCCC1)C(=O)N 273464a_100015525214_100000755618 [0,0,0,1,0,1|2,0,0]=4 1871 B14R1.19175 CCNC(=O)NC1(CCCC1)C(=O)N 512a_100000755618_100015525214 [0,0,0,1,0,1|2,0,0]=4 1872 B14R1.4506 C=C(C)COC1(CCOC1=O)C(=O)C 34a_100000210245_100000088255 [0,1,0,1,0,0|1,0,1]=4 1873 B14R1.4506 C=C(C)CSC1(CCOC1=O)C(=O)C 62a_100000088255_100000211660 [0,1,0,1,0,0|1,0,1]=4 1874 B14R1.4506 C=C(C)CSC1(CCOC1=O)C(=O)C 62a_100000748629_100000088255 [0,1,0,1,0,0|1,0,1]=4 1875 B14R1.4506 CC(=O)C1(CCOC1=O)NCC(C)C 34a_100000210953_100000088255 [0,1,0,1,0,0|1,0,0]=3 1876 B14R1.4506 CC(=O)C1(CCOC1=O)NCC(C)O 34a_100000210904_100000088255 [0,1,0,1,0,0|1,0,0]=3 1877 B14R1.4506 CC(=O)C1(CCOC1=O)NCC(F)F 34a_100000765723_100000088255 [0,1,0,1,0,0|2,0,0]=4 1878 B14R1.4506 CC(=O)C1(CCOC1=O)OCC(C)Br 34a_100012180447_100000088255 [0,1,0,1,0,0|1,0,0]=3 1879 B14R1.4506 CC(=O)C1(CCOC1=O)OCC(C)C 34a_100000210257_100000088255 [0,1,0,1,0,0|1,0,0]=3 1880 B14R1.4506 CC(=O)C1(CCOC1=O)OCC(C)F 34a_100015925927_100000088255 [0,1,0,1,0,0|1,0,0]=3 1881 B14R1.4506 CC(=O)C1(CCOC1=O)OCC(F)F 34a_100000743014_100000088255 [0,1,0,1,0,0|2,0,0]=4 1882 B14R1.4506 CC(=O)C1(CCOC1=O)OC[C@@H](C)Cl 34a_100016084084_100000088255 [0,1,0,1,0,0|1,0,0]=3 1883 B14R1.4506 CC(=O)C1(CCOC1=O)OC[C@@H](C)N 34a_100000737577_100000088255 [0,1,0,1,0,0|1,0,0]=3 1884 B14R1.4506 CC(=O)C1(CCOC1=O)SCC(C)C 62a_100000088255_100000210760 [0,1,0,1,0,0|1,0,0]=3 1885 B14R1.4506 CC(=O)C1(CCOC1=O)SCC(C)C 62a_100000210624_100000088255 [0,1,0,1,0,0|1,0,0]=3 1886 B14R1.4506 CC(=O)C1(CCOC1=O)SCC(C)O 62a_100000088255_100011218427 [0,1,0,1,0,0|1,0,0]=3 1887 B14R1.4506 CC(=O)C1(CCOC1=O)SCC(C)O 62a_100011218427_100000088255 [0,1,0,1,0,0|1,0,0]=3 1888 B14R1.4506 CC(=O)C1(CCOC1=O)SCC(F)F 62a_100000088255_100011934356 [0,1,0,1,0,0|2,0,0]=4 1889 B14R1.4506 CC(=O)C1(CCOC1=O)SCC(F)F 62a_100011934356_100000088255 [0,1,0,1,0,0|2,0,0]=4 1890 B14R1.4506 CC(=O)C1(CCOC1=O)SC[C@@H](C)O 62a_100000088255_100009817552 [0,1,0,1,0,0|1,0,0]=3 1891 B14R1.4506 CC(=O)C1(CCOC1=O)SC[C@@H](C)O 62a_100009817552_100000088255 [0,1,0,1,0,0|1,0,0]=3 1892 B14R1.4506 CC(=O)COC1(CCOC1=O)C(=O)C 34a_100000211253_100000088255 [0,1,0,1,0,0|1,0,1]=4 1893 B14R1.7198 CCOC(=O)C(C(=O)C)N1CC(C1)C 269982a_100000702820_100009831564 [0,1,0,1,0,0|1,0,0]=3 1894 B14R1.7198 CCOC(=O)C(C(=O)C)N1CC(C1)C 34a_100000702820_100009831564 [0,1,0,1,0,0|1,0,0]=3 1895 B14R1.7198 CCOC(=O)C(C(=O)C)N1CC(C1)F 269982a_100000690557_100009831564 [0,1,0,1,0,0|1,0,0]=3 1896 B14R1.7198 CCOC(=O)C(C(=O)C)N1CC(C1)F 34a_100000690557_100009831564 [0,1,0,1,0,0|1,0,0]=3 1897 B14R1.7198 CCOC(=O)C(C(=O)C)N1CC(C1)O 269982a_100000749847_100009831564 [0,1,0,1,0,0|1,0,0]=3 1898 B14R1.18379 CCOC(=O)C(NCC1CC1)C(=O)C 34a_100000735609_100009831564 [0,1,0,1,0,0|0,0,0]=2 1899 B14R1.18379 CCOC(=O)C(NCC1CC1)C(C)C 34a_100000735609_100000740032 [0,1,0,1,0,0|1,0,1]=4 1900 B14R1.18379 CCOC(=O)C(OCC1CC1)C(=O)C 34a_100000211283_100009831564 [0,1,0,1,0,0|0,0,0]=2 1901 B14R1.18379 CCOC(=O)C(OCC1CC1)C(C)C 34a_100000211283_100000740032 [0,1,0,1,0,0|1,0,1]=4 1902 B14R1.18379 CCOC(=O)C(OC[C@@H]1CO1)C(=O)C 34a_100000757423_100009831564 [0,1,0,1,0,0|1,0,0]=3 1903 B14R1.18379 CCOC(=O)C(SCC1CC1)C(=O)C 62a_100000211040_100000742324 [0,1,0,1,0,0|0,0,0]=2 1904 B14R1.18379 CCOC(=O)C(SCC1CC1)C(=O)C 62a_100000756562_100000211040 [0,1,0,1,0,0|0,0,0]=2 1905 B14R1.18379 CCOC(=O)C(SCC1CC1)C(C)C 62a_100000740032_100000742324 [0,1,0,1,0,0|1,0,1]=4 1906 B14R1.18379 CCOC(=O)C(SCC1CC1)C(C)C 62a_100000756562_100000740032 [0,1,0,1,0,0|1,0,1]=4 1907 B14R1.18379 CCOC(=O)C(SCC1CO1)C(=O)C 62a_100000211040_102125554688 [0,1,0,1,0,0|1,0,0]=3 1908 B14R1.18379 CCOC(=O)C(SCC1CO1)C(=O)C 62a_102125554688_100000211040 [0,1,0,1,0,0|1,0,0]=3 1909 B14R1.18379 CCOC(=O)C(SCC1CS1)C(=O)C 62a_100000031435_100000211040 [0,1,0,1,0,0|1,0,0]=3 1910 B14R1.18379 CCOC(=O)C(SCC1CS1)C(=O)C 62a_100000211040_100000031435 [0,1,0,1,0,0|1,0,0]=3 1911 B14R1.18379 CCOC(=O)C(SC[C@@H]1CO1)C(=O)C 62a_100000211040_100000745022 [0,1,0,1,0,0|1,0,0]=3 1912 B14R1.18379 CCOC(=O)C(SC[C@@H]1CO1)C(=O)C 62a_100000745022_100000211040 [0,1,0,1,0,0|1,0,0]=3 1913 B14R1.18749 CCOC(=O)C(N[C@@H]1C[C@H]1F)C(=O)C 34a_100025746932_100009831564 [0,1,0,1,0,0|1,0,0]=3 1914 B14R1.1001 C/C=C(\C)/C(=O)C1CCCCCC1=O 1458a_100020587367_100000243696 [0,1,0,1,0,0|1,0,1]=4 1915 B14R1.1001 CCC(C)C(=O)C1CCCCCC1=O 1458a_100011192722_100000243696 [0,1,0,1,0,0|1,0,0]=3 1916 B14R1.1001 CCC(C)C(=O)C1CCCCNC1=O 1458a_100011192722_100000735217 [0,1,0,1,0,0|2,0,0]=4 1917 B14R1.1001 CCC(O)C(=O)C1CCCCCC1=O 1458a_100011196387_100000243696 [0,1,0,1,0,0|1,0,0]=3 1918 B14R1.1001 CCC(O)C(=O)C1CCCCNC1=O 1458a_100011196387_100000735217 [0,1,0,1,0,0|2,0,0]=4 1919 B14R1.1001 CNC(=O)C(=O)C1CCCCCC1=O 1458a_100011218921_100000243696 [0,1,0,1,0,0|2,0,0]=4 1920 B14R1.1001 COC(C)C(=O)C1CCCCCC1=O 1458a_100000743197_100000243696 [0,1,0,1,0,0|2,0,0]=4 1921 B14R1.1001 CSC(C)C(=O)C1CCCCCC1=O 1458a_100000149566_100000243696 [0,1,0,1,0,0|2,0,0]=4 1922 B14R1.1001 O=C1CCCCCC1C(=O)C(O)CO 1458a_100011215603_100000243696 [0,1,0,1,0,0|2,0,0]=4 1923 B14R1.4560 CCCCC(C(=O)N)C(=O)C1CCC1 1458a_100000209988_100000748834 [0,1,0,1,0,0|2,0,0]=4 1924 B14R1.4560 CCCCC(C(=O)N)C(=O)C1CCO1 1458a_100000089072_100000748834 [0,1,0,1,0,0|1,0,0]=3 1925 B14R1.4560 CCCCC(C(=O)N)C(=O)C1COC1 1458a_100000758290_100000748834 [0,1,0,1,0,0|2,0,0]=4 1926 B14R1.4561 CCCCC(C(=O)N)C(=O)C1(CC1)C 1458a_100000756474_100000748834 [0,1,0,1,0,0|2,0,0]=4 1927 B14R1.4561 CCCCC(C(=O)N)C(=O)C1(CC1)F 1458a_100000055089_100000748834 [0,1,0,1,0,0|2,0,0]=4 1928 B14R1.4561 CCCCC(C(=O)N)C(=O)C1(CC1)O 1458a_100000241761_100000748834 [0,1,0,1,0,0|2,0,0]=4 1929 B14R1.13776 CCCCC(C(=O)N)C(=O)C1CC1C 1458a_100000211227_100000748834 [0,1,0,1,0,0|2,0,0]=4 1930 B14R1.13776 CCCCC(C(=O)N)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000748834 [0,1,0,1,0,0|2,0,0]=4 1931 B14R1.938 C#CCCC(=O)C1CCCCCC1=O 1458a_100000692101_100000243696 [0,1,0,1,0,0|1,0,1]=4 1932 B14R1.938 C=CCCC(=O)C1CCCCCC1=O 1458a_100000749702_100000243696 [0,1,0,1,0,0|1,0,1]=4 1933 B14R1.938 CC=CCC(=O)C1CCCCCC1=O 1458a_100121576822_100000243696 [0,1,0,1,0,0|1,0,1]=4 1934 B14R1.938 CCC#CC(=O)C1CCCCCC1=O 1458a_100011827653_100000243696 [0,1,0,1,0,0|1,0,0]=3 1935 B14R1.938 CCC#CC(=O)C1CCCCNC1=O 1458a_100011827653_100000735217 [0,1,0,1,0,0|2,0,0]=4 1936 B14R1.938 CCC=CC(=O)C1CCCCCC1=O 1458a_100000212282_100000243696 [0,1,0,1,0,0|1,0,0]=3 1937 B14R1.938 CCC=CC(=O)C1CCCCNC1=O 1458a_100000212282_100000735217 [0,1,0,1,0,0|2,0,0]=4 1938 B14R1.938 CCCCC(=O)C1CCCCCC1=O 1458a_100000210183_100000243696 [0,1,0,1,0,0|1,0,0]=3 1939 B14R1.938 CCCCC(=O)C1CCCCNC1=O 1458a_100000210183_100000735217 [0,1,0,1,0,0|2,0,0]=4 1940 B14R1.938 CCOCC(=O)C1CCCCCC1=O 1458a_100000211967_100000243696 [0,1,0,1,0,0|0,0,0]=2 1941 B14R1.938 CCOCC(=O)C1CCCCNC1=O 1458a_100000211967_100000735217 [0,1,0,1,0,0|1,0,0]=3 1942 B14R1.938 CCSCC(=O)C1CCCCCC1=O 1458a_100000230394_100000243696 [0,1,0,1,0,0|0,1,0]=3 1943 B14R1.938 CCSCC(=O)C1CCCCNC1=O 1458a_100000230394_100000735217 [0,1,0,1,0,0|1,1,0]=4 1944 B14R1.938 COC=CC(=O)C1CCCCCC1=O 1458a_100016268678_100000243696 [0,1,0,1,0,0|1,0,1]=4 1945 B14R1.938 COCCC(=O)C1CCCCCC1=O 1458a_100000749529_100000243696 [0,1,0,1,0,0|1,0,0]=3 1946 B14R1.938 COCCC(=O)C1CCCCNC1=O 1458a_100000749529_100000735217 [0,1,0,1,0,0|2,0,0]=4 1947 B14R1.938 CSCCC(=O)C1CCCCCC1=O 1458a_100000174002_100000243696 [0,1,0,1,0,0|1,0,0]=3 1948 B14R1.938 CSCCC(=O)C1CCCCNC1=O 1458a_100000174002_100000735217 [0,1,0,1,0,0|2,0,0]=4 1949 B14R1.938 N#CCCC(=O)C1CCCCCC1=O 1458a_100011934036_100000243696 [0,1,0,1,0,0|1,0,1]=4 1950 B14R1.938 O=C(C#CCO)C1CCCCCC1=O 1458a_100000049017_100000243696 [0,1,0,1,0,0|1,0,1]=4 1951 B14R1.4562 CCCCC(C(=O)N)C(=O)CC1CC1 1458a_100000738066_100000748834 [0,1,0,1,0,0|2,0,0]=4 1952 B14R1.7195 CCOC(=O)C(C(=O)C)N1CCC1C 269982a_100000755817_100009831564 [0,1,0,1,0,0|0,0,0]=2 1953 B14R1.7195 CCOC(=O)C(C(=O)C)N1CCC1C 34a_100000755817_100009831564 [0,1,0,1,0,0|0,0,0]=2 1954 B14R1.7195 CCOC(=O)C(C(C)C)N1CCC1C 269982a_100000755817_100000740032 [0,1,0,1,0,0|1,0,1]=4 1955 B14R1.7195 CCOC(=O)C(C(C)C)N1CCC1C 34a_100000755817_100000740032 [0,1,0,1,0,0|1,0,1]=4 1956 B14R1.18378 CCOC(=O)C(NC1CCC1)C(=O)C 34a_100000749019_100009831564 [0,1,0,1,0,0|0,0,0]=2 1957 B14R1.18378 CCOC(=O)C(NC1CCC1)C(C)C 34a_100000749019_100000740032 [0,1,0,1,0,0|1,0,1]=4 1958 B14R1.18378 CCOC(=O)C(OC1CCC1)C(=O)C 34a_100000748187_100009831564 [0,1,0,1,0,0|0,0,0]=2 1959 B14R1.18378 CCOC(=O)C(OC1CCC1)C(C)C 34a_100000748187_100000740032 [0,1,0,1,0,0|1,0,1]=4 1960 B14R1.18378 CCOC(=O)C(SC1CCC1)C(=O)C 62a_100000211040_100000749161 [0,1,0,1,0,0|0,0,0]=2 1961 B14R1.18378 CCOC(=O)C(SC1CCC1)C(C)C 62a_100000740032_100000749161 [0,1,0,1,0,0|1,0,1]=4 1962 B14R1.18378 CCOC(=O)C(SC1COC1)C(=O)C 62a_100000211040_100009818527 [0,1,0,1,0,0|1,0,0]=3 1963 B14R1.20266 CC(=O)C1(CCOC1=O)OC(C)CF 34a_100016041109_100000088255 [0,1,0,1,0,0|2,0,0]=4 1964 B14R1.20266 CC(=O)C1(CCOC1=O)OC(C)CN 34a_100000210904_100000088255 [0,1,0,1,0,0|2,0,0]=4 1965 B14R1.20266 CC(=O)C1(CCOC1=O)SC(C)CO 62a_100012180447_100000088255 [0,1,0,1,0,0|2,0,0]=4 1966 B14R1.20266 CC(=O)C1(CCOC1=O)S[C@H](C)CO 62a_100000088255_100016084084 [0,1,0,1,0,0|2,0,0]=4 1967 B14R1.20266 CC(=O)C1(CCOC1=O)S[C@H](C)CO 62a_100016084084_100000088255 [0,1,0,1,0,0|2,0,0]=4 1968 B14R1.20266 CCC(C)SC1(CCOC1=O)C(=O)C 62a_100000088255_100000758301 [0,1,0,1,0,0|1,0,0]=3 1969 B14R1.20266 CCC(C)SC1(CCOC1=O)C(=O)C 62a_100000758301_100000088255 [0,1,0,1,0,0|1,0,0]=3 1970 B14R1.20266 COC(C)SC1(CCOC1=O)C(=O)C 62a_100000088255_100009879195 [0,1,0,1,0,0|2,0,0]=4 1971 B14R1.20266 COC(C)SC1(CCOC1=O)C(=O)C 62a_100009879195_100000088255 [0,1,0,1,0,0|2,0,0]=4 1972 B14R1.6921 CCOC(=O)C(C(=O)C)N1CC=CC1 269982a_100015195280_100009831564 [0,1,0,1,0,0|0,0,2]=4 1973 B14R1.6921 CCOC(=O)C(C(=O)C)N1CCCC1 269982a_100000188435_100009831564 [0,1,0,1,0,0|0,0,0]=2 1974 B14R1.6921 CCOC(=O)C(C(=O)C)N1CCSC1 269982a_100011215254_100009831564 [0,1,0,1,0,0|1,0,0]=3 1975 B14R1.6921 CCOC(=O)C(C(C)C)N1CCCC1 269982a_100000188435_100000740032 [0,1,0,1,0,0|1,0,1]=4 1976 B14R1.18750 CCOC(=O)C(C(=O)C)N(C)C1CC1 269982a_100000226674_100009831564 [0,1,0,1,0,0|1,0,0]=3 1977 B14R1.18818 CC(=O)C1(CCOC1=O)C(=O)CCO 1458a_100011216618_100000088255 [0,1,0,1,0,0|1,0,1]=4 1978 B14R1.18818 CC(=O)C1(CCOC1=O)N(C)CCO 269982a_100000210263_100000088255 [0,1,0,1,0,0|2,0,0]=4 1979 B14R1.18818 CCCC(=O)C1(CCOC1=O)C(=O)C 1458a_100000211992_100000088255 [0,1,0,1,0,0|0,0,1]=3 1980 B14R1.18818 CCCN(C)C1(CCOC1=O)C(=O)C 269982a_100000747261_100000088255 [0,1,0,1,0,0|1,0,0]=3 1981 B14R1.18818 COCC(=O)C1(CCOC1=O)C(=O)C 1458a_100000210968_100000088255 [0,1,0,1,0,0|1,0,1]=4 1982 B14R1.18818 CSCC(=O)C1(CCOC1=O)C(=O)C 1458a_100000184570_100000088255 [0,1,0,1,0,0|1,0,1]=4 1983 B14R1.2383 CCCCNC(C(=O)OCC)C1CC1 2230a_100000102301_100010073418 [0,1,0,1,0,0|1,0,1]=4 1984 B14R1.2383 CCCCNC(C(=O)OCC)C1CC1 7a_106832991798_100010073418 [0,1,0,1,0,0|1,0,1]=4 1985 B14R1.2383 CCCCOC(C(=O)OCC)C1CC1 34a_100000210227_100010073418 [0,1,0,1,0,0|1,0,1]=4 1986 B14R1.2383 CCCCOC(C(=O)OCC)C1CC1 7a_100000210227_100010073418 [0,1,0,1,0,0|1,0,1]=4 1987 B14R1.2383 CCCCSC(C(=O)OCC)C1CC1 62a_100000210211_100010073418 [0,1,0,1,0,0|1,0,1]=4 1988 B14R1.2383 CCCCSC(C(=O)OCC)C1CC1 62a_100010073418_100000210210 [0,1,0,1,0,0|1,0,1]=4 1989 B14R1.17018 C#CCCNC1(CCOC1=O)C(=O)C 34a_100000755551_100000088255 [0,1,0,1,0,0|0,0,2]=4 1990 B14R1.17018 C#CCCOC1(CCOC1=O)C(=O)C 34a_100011215631_100000088255 [0,1,0,1,0,0|0,0,2]=4 1991 B14R1.17018 C#CCCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000688953 [0,1,0,1,0,0|0,0,2]=4 1992 B14R1.17018 C#CCCSC1(CCOC1=O)C(=O)C 62a_100000688953_100000088255 [0,1,0,1,0,0|0,0,2]=4 1993 B14R1.17018 C/C=C/COC1(CCOC1=O)C(=O)C 34a_100016270725_100000088255 [0,1,0,1,0,0|0,0,2]=4 1994 B14R1.17018 C/C=C/CSC1(CCOC1=O)C(=O)C 62a_100000088255_100102629194 [0,1,0,1,0,0|0,0,2]=4 1995 B14R1.17018 C/C=C/CSC1(CCOC1=O)C(=O)C 62a_100102629194_100000088255 [0,1,0,1,0,0|0,0,2]=4 1996 B14R1.17018 C=CCCOC1(CCOC1=O)C(=O)C 34a_100011205117_100000088255 [0,1,0,1,0,0|0,0,2]=4 1997 B14R1.17018 C=CCCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000754431 [0,1,0,1,0,0|0,0,2]=4 1998 B14R1.17018 C=CCCSC1(CCOC1=O)C(=O)C 62a_100000754431_100000088255 [0,1,0,1,0,0|0,0,2]=4 1999 B14R1.17018 CC#CCNC1(CCOC1=O)C(=O)C 34a_100000685387_100000088255 [0,1,0,1,0,0|0,0,2]=4 2000 B14R1.17018 CC#CCOC1(CCOC1=O)C(=O)C 34a_100000761923_100000088255 [0,1,0,1,0,0|0,0,2]=4 2001 B14R1.17018 CC#CCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000748600 [0,1,0,1,0,0|0,0,2]=4 2002 B14R1.17018 CC#CCSC1(CCOC1=O)C(=O)C 62a_100000748600_100000088255 [0,1,0,1,0,0|0,0,2]=4 2003 B14R1.17018 CC(=O)C1(CCOC1=O)NCCCF 34a_100015189416_100000088255 [0,1,0,1,0,0|1,0,0]=3 2004 B14R1.17018 CC(=O)C1(CCOC1=O)OCCCBr 34a_100011217188_100000088255 [0,1,0,1,0,0|1,0,0]=3 2005 B14R1.17018 CC(=O)C1(CCOC1=O)OCCCCl 34a_100000230001_100000088255 [0,1,0,1,0,0|1,0,0]=3 2006 B14R1.17018 CC(=O)C1(CCOC1=O)OCCCF 34a_100000759539_100000088255 [0,1,0,1,0,0|1,0,0]=3 2007 B14R1.17018 CC(=O)C1(CCOC1=O)OCCCN 34a_100000182051_100000088255 [0,1,0,1,0,0|1,0,0]=3 2008 B14R1.17018 CC(=O)C1(CCOC1=O)OCCON 34a_100000700252_100000088255 [0,1,0,1,0,0|2,0,0]=4 2009 B14R1.17018 CC(=O)C1(CCOC1=O)SCCC#N 62a_100000088255_100011215226 [0,1,0,1,0,0|1,0,1]=4 2010 B14R1.17018 CC(=O)C1(CCOC1=O)SCCC#N 62a_100011215226_100000088255 [0,1,0,1,0,0|1,0,1]=4 2011 B14R1.17018 CC(=O)C1(CCOC1=O)SCCCF 62a_100000088255_100011934791 [0,1,0,1,0,0|1,0,0]=3 2012 B14R1.17018 CC(=O)C1(CCOC1=O)SCCCF 62a_100011934791_100000088255 [0,1,0,1,0,0|1,0,0]=3 2013 B14R1.17018 CC(=O)C1(CCOC1=O)SCCCO 62a_100000088255_100011215043 [0,1,0,1,0,0|1,0,0]=3 2014 B14R1.17018 CC(=O)C1(CCOC1=O)SCCCO 62a_100011215043_100000088255 [0,1,0,1,0,0|1,0,0]=3 2015 B14R1.17018 CC=CCSC1(CCOC1=O)C(=O)C 62a_100000070051_100000088255 [0,1,0,1,0,0|0,0,2]=4 2016 B14R1.17018 CC=CCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000070051 [0,1,0,1,0,0|0,0,2]=4 2017 B14R1.17018 CCCCOC1(CCOC1=O)C(=O)C 34a_100000210227_100000088255 [0,1,0,1,0,0|0,0,0]=2 2018 B14R1.17018 CCCCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000210210 [0,1,0,1,0,0|0,0,0]=2 2019 B14R1.17018 CCCCSC1(CCOC1=O)C(=O)C 62a_100000210211_100000088255 [0,1,0,1,0,0|0,0,0]=2 2020 B14R1.17018 CCOCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000739092 [0,1,0,1,0,0|1,0,0]=3 2021 B14R1.17018 CCOCSC1(CCOC1=O)C(=O)C 62a_100000739092_100000088255 [0,1,0,1,0,0|1,0,0]=3 2022 B14R1.17018 COCCOC1(CCOC1=O)C(=O)C 34a_100000210237_100000088255 [0,1,0,1,0,0|1,0,0]=3 2023 B14R1.17018 COCCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000233755 [0,1,0,1,0,0|1,0,0]=3 2024 B14R1.17018 COCCSC1(CCOC1=O)C(=O)C 62a_100000233755_100000088255 [0,1,0,1,0,0|1,0,0]=3 2025 B14R1.17018 CSCCOC1(CCOC1=O)C(=O)C 34a_100000230434_100000088255 [0,1,0,1,0,0|1,0,0]=3 2026 B14R1.17018 CSCCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000751147 [0,1,0,1,0,0|1,0,0]=3 2027 B14R1.17018 CSCCSC1(CCOC1=O)C(=O)C 62a_100000212216_100000088255 [0,1,0,1,0,0|1,0,0]=3 2028 B14R1.18832 CCOC(=O)C1(CCOCC1)C(=O)C 1458a_100000729696_200000210301 [0,1,0,1,0,0|0,0,0]=2 2029 B14R1.18832 CCOC(=O)C1(CCOCC1)C(=O)[13CH3] 1458a_100000729696_200025704644 [0,1,0,1,0,0|0,0,0]=2 2030 B14R1.1051 CCOC(=O)C(C(=O)CC)N1CCC1 269982a_100000754969_100000687759 [0,1,0,1,0,0|1,0,0]=3 2031 B14R1.4552 CCCCC(C(=O)OC)C(=O)C1CC1 1458a_100000210395_100000750740 [0,1,0,1,0,0|1,0,0]=3 2032 B14R1.4552 CCCCC(C(=O)OC)C(=O)C1CO1 1458a_100000701028_100000750740 [0,1,0,1,0,0|2,0,0]=4 2033 B14R1.4579 CCCCC(C(=O)OCC)N1CCC1 269982a_100000754969_200009813700 [0,1,0,1,0,0|2,0,0]=4 2034 B14R1.18746 CCOC(=O)C(SC1CC1)C(=O)CC 62a_100000687759_100000211595 [0,1,0,1,0,0|1,0,0]=3 2035 B14R1.18814 CCOC(=O)C1(CC=CC1)C(=O)CC 1458a_100000081342_100000210202 [0,1,0,1,0,0|0,0,2]=4 2036 B14R1.18814 CCOC(=O)C1(CC=CC1)C(=O)CF 1458a_100000081342_100015361967 [0,1,0,1,0,0|0,0,2]=4 2037 B14R1.18814 CCOC(=O)C1(CC=CC1)C(=O)NC 11a_106832991635_100000081342 [0,1,0,1,0,0|0,0,2]=4 2038 B14R1.18814 CCOC(=O)C1(CC=CC1)C(=O)NC 1626a_100102657272_100000081342 [0,1,0,1,0,0|0,0,2]=4 2039 B14R1.18814 CCOC(=O)C1(CC=CC1)C(=O)NC 240690a_100102657272_100000081342 [0,1,0,1,0,0|0,0,2]=4 2040 B14R1.18814 CCOC(=O)C1(CC=CC1)C(=O)NC 527a_100102657272_100000081342 [0,1,0,1,0,0|0,0,2]=4 2041 B14R1.327 CC(=CC(=O)C1CCCCCC1=O)C 1458a_100000211388_100000243696 [0,1,0,1,0,0|1,0,1]=4 2042 B14R1.327 CC(=CC(=O)C1CCCCCC1=O)Cl 1458a_200042562850_100000243696 [0,1,0,1,0,0|1,0,1]=4 2043 B14R1.327 CC(=CC(=O)C1CCCCCC1=O)I 1458a_100025716642_100000243696 [0,1,0,1,0,0|1,0,1]=4 2044 B14R1.327 CC(C)CC(=O)C1CCCCCC1=O 1458a_100000210554_100000243696 [0,1,0,1,0,0|1,0,0]=3 2045 B14R1.327 CC(C)CC(=O)C1CCCCNC1=O 1458a_100000210554_100000735217 [0,1,0,1,0,0|2,0,0]=4 2046 B14R1.327 CN(C)CC(=O)C1CCCCCC1=O 1458a_100000750896_100000243696 [0,1,0,1,0,0|2,0,0]=4 2047 B14R1.327 C[C@@H](O)CC(=O)C1CCCCCC1=O 1458a_100011933948_100000243696 [0,1,0,1,0,0|1,0,0]=3 2048 B14R1.327 C[C@@H](O)CC(=O)C1CCCCNC1=O 1458a_100011933948_100000735217 [0,1,0,1,0,0|2,0,0]=4 2049 B14R1.327 C[S+](C)CC(=O)C1CCCCCC1=O 1458a_200159257847_100000243696 [0,1,0,1,0,0|2,0,0]=4 2050 B14R1.7408 CCCSC1C(=O)CC(CC1=O)(C)C 62a_100000038155_100000210303 [0,1,0,1,0,0|2,0,0]=4 2051 B14R2.54 CC(=O)C1CCCCC12OCCO2 1458a_100009908357_200000210301 [0,0,0,2,0,0|0,0,2]=4 2052 B14R2.54 [13CH3]C(=O)C1CCCCC12OCCO2 1458a_100009908357_200025704644 [0,0,0,2,0,0|0,0,2]=4 2053 B14R2.8158 O=C1CCCCCC1C(=O)C2CC2 1458a_100000210395_100000243696 [0,0,0,2,0,0|1,0,0]=3 2054 B14R2.8158 O=C1CCCCCC1C(=O)C2CO2 1458a_100000701028_100000243696 [0,0,0,2,0,0|2,0,0]=4 2055 B14R2.8158 O=C1NCCCCC1C(=O)C2CC2 1458a_100000210395_100000735217 [0,0,0,2,0,0|2,0,0]=4 2056 B14R2.23353 CC(=O)C1(CCOC1=O)N2CCC2 269982a_100000754969_100000088255 [0,0,0,2,0,0|1,0,0]=3 2057 B14R2.4737 CC(=O)C1(CCOC1=O)NC2CC2 34a_100000212008_100000088255 [0,0,0,2,0,0|1,0,0]=3 2058 B14R2.4737 CC(=O)C1(CCOC1=O)SC2CC2 62a_100000088255_100000211595 [0,0,0,2,0,0|1,0,0]=3 2059 B12R0.243 CCCCC(CCCC)NC(=O)C 11a_200011995792_100015343762 [1,0,0,0,0,1|1,0,1]=4 2060 B12R0.243 CCCCC(CCCC)NC(=O)C 1626a_200011995792_100015343762 [1,0,0,0,0,1|1,0,1]=4 2061 B12R0.243 CCCCC(CCCC)NC(=O)C 240690a_200011995792_100015343762 [1,0,0,0,0,1|1,0,1]=4 2062 B12R0.243 CCCCC(CCCC)NC(=O)C 527a_200011995792_100103153847 [1,0,0,0,0,1|1,0,1]=4 2063 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 11a_100000729256_100000211992 [1,0,0,0,0,1|2,0,0]=4 2064 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000211992 [1,0,0,0,0,1|2,0,0]=4 2065 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_100000211992 [1,0,0,0,0,1|2,0,0]=4 2066 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 527a_100000729256_100000211992 [1,0,0,0,0,1|2,0,0]=4 2067 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 11a_100000221057_100015343762 [1,0,0,0,0,1|1,0,0]=3 2068 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 1626a_100000221057_100015343762 [1,0,0,0,0,1|1,0,0]=3 2069 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 240690a_100000221057_100015343762 [1,0,0,0,0,1|1,0,0]=3 2070 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 527a_100000221057_100103153847 [1,0,0,0,0,1|1,0,0]=3 2071 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 2708a_100015525214_100000729256 [1,0,0,0,0,1|2,0,0]=4 2072 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 273464a_100000729256_100015525214 [1,0,0,0,0,1|2,0,0]=4 2073 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 273464a_100015525214_100000729256 [1,0,0,0,0,1|2,0,0]=4 2074 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 512a_100000729256_100015525214 [1,0,0,0,0,1|2,0,0]=4 2075 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 512a_100015525214_100000729256 [1,0,0,0,0,1|2,0,0]=4 2076 B12R0.284 C#CCC(NC(=O)C)C(=O)OCC 188690a_100138413439_100015343762 [1,0,0,0,0,1|0,0,2]=4 2077 B12R0.284 CCCC(=O)C(COC)NC(=O)C 1458a_200012277492_100000210303 [1,0,0,0,0,1|2,0,0]=4 2078 B12R0.284 CCCC(=O)[C@H](CCC)NC(=O)C 1458a_100011995990_100000210303 [1,0,0,0,0,1|1,0,0]=3 2079 B12R0.284 CCCC(NC(C)C)C(=O)OCC 2230a_100138425928_100000695697 [1,0,0,0,0,1|1,0,1]=4 2080 B12R0.284 CCCC(NC(C)C)C(=O)OCC 34a_100138425928_100000695697 [1,0,0,0,0,1|1,0,1]=4 2081 B12R0.284 CCCC(OC(C)C)C(=O)OCC 34a_100000212225_100000695697 [1,0,0,0,0,1|1,0,1]=4 2082 B12R0.284 CCCC(OC(C)C)C(=O)OCC 34a_200011218214_100000210206 [1,0,0,0,0,1|1,0,1]=4 2083 B12R0.284 CCCC(OC(C)C)C(=O)OCC 7a_200011218214_100000210206 [1,0,0,0,0,1|1,0,1]=4 2084 B12R0.284 CCCC(SC(C)C)C(=O)OCC 62a_100000210206_100000695697 [1,0,0,0,0,1|1,0,1]=4 2085 B12R0.284 CCCC(SC(C)C)C(=O)OCC 62a_100000695697_100000210206 [1,0,0,0,0,1|1,0,1]=4 2086 B12R0.284 CCC[C@H](NC(=O)C)C(=O)CCF 1458a_100011995990_100011217306 [1,0,0,0,0,1|2,0,0]=4 2087 B12R0.284 CCC[C@H](NC(=O)C)C(=O)CCO 1458a_100011995990_100000211926 [1,0,0,0,0,1|2,0,0]=4 2088 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NCC 11a_100015525214_100011995990 [1,0,0,0,0,1|1,0,0]=3 2089 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NCC 240690a_100015525214_100011995990 [1,0,0,0,0,1|1,0,0]=3 2090 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NCC 527a_100015525214_100011995990 [1,0,0,0,0,1|1,0,0]=3 2091 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NNC 22a_100016993582_100011995990 [1,0,0,0,0,1|2,0,0]=4 2092 B12R0.284 CCC[C@H](NC(=O)C)C(=O)OCC 188690a_100000056038_100015343762 [1,0,0,0,0,1|0,0,0]=2 2093 B12R0.284 CCNC(=O)C(COC)NC(=O)C 11a_100015525214_200012277492 [1,0,0,0,0,1|2,0,0]=4 2094 B12R0.284 CCNC(=O)C(COC)NC(=O)C 240690a_100015525214_200012277492 [1,0,0,0,0,1|2,0,0]=4 2095 B12R0.284 CCNC(=O)C(COC)NC(=O)C 527a_100015525214_200012277492 [1,0,0,0,0,1|2,0,0]=4 2096 B12R0.284 CCOC(=O)C(CSC)NC(=O)C 188690a_100025773501_100015343762 [1,0,0,0,0,1|1,0,0]=3 2097 B12R0.247 CCC(=O)C(CCSC)NC(=O)N 1458a_100000182937_100000210202 [1,0,0,0,0,1|2,0,0]=4 2098 B12R0.247 CCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000210202 [1,0,0,0,0,1|1,0,0]=3 2099 B12R0.247 CCCCC(NC(=O)C)C(=O)CC 1458a_100000194794_100000210202 [1,0,0,0,0,1|0,0,0]=2 2100 B12R0.247 CCCCC(NC(=O)C)C(=O)CF 1458a_100000194794_100015361967 [1,0,0,0,0,1|1,0,0]=3 2101 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 11a_106832991635_100000194794 [1,0,0,0,0,1|1,0,0]=3 2102 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000194794 [1,0,0,0,0,1|1,0,0]=3 2103 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000194794 [1,0,0,0,0,1|1,0,0]=3 2104 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 527a_100102657272_100000194794 [1,0,0,0,0,1|1,0,0]=3 2105 B12R0.247 CCCCC(NC(=O)C)C(=O)OC 188690a_100000701681_100015343762 [1,0,0,0,0,1|0,0,0]=2 2106 B12R0.247 CCCCC(NC(C)C)C(=O)OC 2230a_100138425928_100000750740 [1,0,0,0,0,1|1,0,1]=4 2107 B12R0.247 CCCCC(NC(C)C)C(=O)OC 34a_100138425928_100000750740 [1,0,0,0,0,1|1,0,1]=4 2108 B12R0.247 CCCCC(OC(C)C)C(=O)OC 34a_100000212225_100000750740 [1,0,0,0,0,1|1,0,1]=4 2109 B12R0.247 CCCCC(SC(C)C)C(=O)OC 62a_100000210206_100000750740 [1,0,0,0,0,1|1,0,1]=4 2110 B12R0.247 CCCCC(SC(C)C)C(=O)OC 62a_100000750740_100000210206 [1,0,0,0,0,1|1,0,1]=4 2111 B12R0.247 CCSCC(NC(=O)C)C(=O)OC 62a_100000210202_100000763271 [1,0,0,0,0,1|1,0,0]=3 2112 B12R0.247 CCSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000210202 [1,0,0,0,0,1|1,0,0]=3 2113 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 11a_106832991635_100011933958 [1,0,0,0,0,1|2,0,0]=4 2114 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 1626a_100102657272_100011933958 [1,0,0,0,0,1|2,0,0]=4 2115 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 240690a_100102657272_100011933958 [1,0,0,0,0,1|2,0,0]=4 2116 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 527a_100102657272_100011933958 [1,0,0,0,0,1|2,0,0]=4 2117 B12R0.247 COC(=O)C(CSCF)NC(=O)C 62a_100000763271_100015361967 [1,0,0,0,0,1|2,0,0]=4 2118 B12R0.247 COC(=O)C(CSCF)NC(=O)C 62a_100015361967_100000763271 [1,0,0,0,0,1|2,0,0]=4 2119 B12R0.247 COC(=O)[C@@H](CCSC)NC(=O)C 188690a_100020625969_100015343762 [1,0,0,0,0,1|1,0,0]=3 2120 B12R0.247 CSCC[C@@H](NC(=O)C)C(=O)CF 1458a_100011933958_100015361967 [1,0,0,0,0,1|2,0,0]=4 2121 B12R0.607 CCCCC(CC)CC(=O)CCC 1458a_100000211992_100000211942 [1,0,0,0,0,1|1,0,1]=4 2122 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000207695_100000188475 [1,0,0,0,0,1|1,0,1]=4 2123 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210211 [1,0,0,0,0,1|1,0,1]=4 2124 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000207695_100000188475 [1,0,0,0,0,1|1,0,1]=4 2125 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210211 [1,0,0,0,0,1|1,0,1]=4 2126 B14R0.1395 CCCCC(CC(=O)OCC)NC(=O)C 188690a_100015183214_100015343762 [0,0,0,0,0,2|0,0,0]=2 2127 B14R0.2442 C=C(C)COC(CCCC)C(=O)OCC 34a_100000210245_200009813700 [0,0,0,0,0,2|1,0,0]=3 2128 B14R0.2442 C=C(C)COC(CCCC)C(=O)OCC 34a_200011215408_100000748629 [0,0,0,0,0,2|1,0,0]=3 2129 B14R0.2442 C=C(C)COC(CCCC)C(=O)OCC 7a_200011215408_100000748629 [0,0,0,0,0,2|1,0,0]=3 2130 B14R0.2442 C=C(C)CSC(CCCC)C(=O)OCC 62a_100000748629_200009813700 [0,0,0,0,0,2|1,0,0]=3 2131 B14R0.2442 C=C(C)CSC(CCCC)C(=O)OCC 62a_200009813700_100000211660 [0,0,0,0,0,2|1,0,0]=3 2132 B14R0.2442 C=C(F)COC(CCCC)C(=O)OCC 34a_200010262243_200009813700 [0,0,0,0,0,2|1,0,1]=4 2133 B14R0.2442 C=C(F)COC(CCCC)C(=O)OCC 34a_200011215408_100009893438 [0,0,0,0,0,2|1,0,1]=4 2134 B14R0.2442 C=C(F)COC(CCCC)C(=O)OCC 7a_200011215408_100000042424 [0,0,0,0,0,2|1,0,1]=4 2135 B14R0.2442 C=C(F)CSC(CCCC)C(=O)OCC 62a_100000042424_200009813700 [0,0,0,0,0,2|1,0,1]=4 2136 B14R0.2442 C=C(F)CSC(CCCC)C(=O)OCC 62a_200009813700_100000042424 [0,0,0,0,0,2|1,0,1]=4 2137 B14R0.2442 CCCCC(=NNC(=O)C)C(=O)OCC 4a_100000189765_100000097197 [0,0,0,0,0,2|0,0,1]=3 2138 B14R0.2442 CCCCC(NCC(=O)N)C(=O)OCC 2230a_100000711301_200009813700 [0,0,0,0,0,2|1,0,0]=3 2139 B14R0.2442 CCCCC(NCC(=O)O)C(=O)OCC 269956a_100016091260_200009813700 [0,0,0,0,0,2|1,0,0]=3 2140 B14R0.2442 CCCCC(NCC(C)C)C(=O)OCC 2230a_100000210953_200009813700 [0,0,0,0,0,2|1,0,1]=4 2141 B14R0.2442 CCCCC(NCC(C)C)C(=O)OCC 34a_100000210953_200009813700 [0,0,0,0,0,2|1,0,1]=4 2142 B14R0.2442 CCCCC(NCC(C)O)C(=O)OCC 2230a_100000210904_200009813700 [0,0,0,0,0,2|0,0,2]=4 2143 B14R0.2442 CCCCC(NCC(C)O)C(=O)OCC 34a_100000210904_200009813700 [0,0,0,0,0,2|0,0,2]=4 2144 B14R0.2442 CCCCC(OCC(=O)C)C(=O)OCC 34a_100000211253_200009813700 [0,0,0,0,0,2|0,0,0]=2 2145 B14R0.2442 CCCCC(OCC(=O)N)C(=O)OCC 34a_200011215408_100000187820 [0,0,0,0,0,2|1,0,0]=3 2146 B14R0.2442 CCCCC(OCC(=O)N)C(=O)OCC 7a_200011215408_100000187820 [0,0,0,0,0,2|1,0,0]=3 2147 B14R0.2442 CCCCC(OCC(=O)[O-])C(=O)OCC 34a_200011215408_100020667443 [0,0,0,0,0,2|1,0,0]=3 2148 B14R0.2442 CCCCC(OCC(C)Br)C(=O)OCC 34a_100012180447_200009813700 [0,0,0,0,0,2|1,0,1]=4 2149 B14R0.2442 CCCCC(OCC(C)C)C(=O)OCC 34a_100000210257_200009813700 [0,0,0,0,0,2|1,0,1]=4 2150 B14R0.2442 CCCCC(OCC(C)C)C(=O)OCC 34a_200011215408_100000210624 [0,0,0,0,0,2|1,0,1]=4 2151 B14R0.2442 CCCCC(OCC(C)C)C(=O)OCC 7a_200011215408_100000210760 [0,0,0,0,0,2|1,0,1]=4 2152 B14R0.2442 CCCCC(OCC(C)F)C(=O)OCC 34a_100015925927_200009813700 [0,0,0,0,0,2|1,0,1]=4 2153 B14R0.2442 CCCCC(OCC(C)O)C(=O)OCC 34a_200011215408_100011218427 [0,0,0,0,0,2|0,0,2]=4 2154 B14R0.2442 CCCCC(OCC(C)O)C(=O)OCC 7a_200011215408_100011218427 [0,0,0,0,0,2|0,0,2]=4 2155 B14R0.2442 CCCCC(OC[C@@H](C)Cl)C(=O)OCC 34a_100016084084_200009813700 [0,0,0,0,0,2|1,0,1]=4 2156 B14R0.2442 CCCCC(OC[C@@H](C)N)C(=O)OCC 34a_100000737577_200009813700 [0,0,0,0,0,2|1,0,1]=4 2157 B14R0.2442 CCCCC(OC[C@@H](C)O)C(=O)OCC 34a_200011215408_100009817552 [0,0,0,0,0,2|0,0,2]=4 2158 B14R0.2442 CCCCC(OC[C@@H](C)O)C(=O)OCC 7a_200011215408_100009817552 [0,0,0,0,0,2|0,0,2]=4 2159 B14R0.2442 CCCCC(OC[N+](=O)[O-])C(=O)OCC 34a_200011215408_100000761209 [0,0,0,0,0,2|2,0,0]=4 2160 B14R0.2442 CCCCC(SCC(=O)N)C(=O)OCC 62a_100000747473_200009813700 [0,0,0,0,0,2|1,0,0]=3 2161 B14R0.2442 CCCCC(SCC(=O)N)C(=O)OCC 62a_200009813700_100000747473 [0,0,0,0,0,2|1,0,0]=3 2162 B14R0.2442 CCCCC(SCC(=O)[O-])C(=O)OCC 62a_100020667443_200009813700 [0,0,0,0,0,2|1,0,0]=3 2163 B14R0.2442 CCCCC(SCC(=O)[O-])C(=O)OCC 62a_200009813700_100020667443 [0,0,0,0,0,2|1,0,0]=3 2164 B14R0.2442 CCCCC(SCC(C)C)C(=O)OCC 62a_100000210624_200009813700 [0,0,0,0,0,2|1,0,1]=4 2165 B14R0.2442 CCCCC(SCC(C)C)C(=O)OCC 62a_200009813700_100000210760 [0,0,0,0,0,2|1,0,1]=4 2166 B14R0.2442 CCCCC(SCC(C)O)C(=O)OCC 62a_100011218427_200009813700 [0,0,0,0,0,2|0,0,2]=4 2167 B14R0.2442 CCCCC(SCC(C)O)C(=O)OCC 62a_200009813700_100011218427 [0,0,0,0,0,2|0,0,2]=4 2168 B14R0.2442 CCCCC(SC[C@@H](C)O)C(=O)OCC 62a_100009817552_200009813700 [0,0,0,0,0,2|0,0,2]=4 2169 B14R0.2442 CCCCC(SC[C@@H](C)O)C(=O)OCC 62a_200009813700_100009817552 [0,0,0,0,0,2|0,0,2]=4 2170 B14R0.2442 CCCCC(SC[N+](=O)[O-])C(=O)OCC 62a_200009813700_100000761209 [0,0,0,0,0,2|2,0,0]=4 2171 B14R0.2537 CCCCC(NCC(=O)NCC)C(=O)N 2230a_100016988866_100000748834 [0,0,0,0,0,2|2,0,0]=4 2172 B14R0.2537 CCCCC(SCC(=O)CCC)C(=O)N 62a_100000747444_100000748834 [0,0,0,0,0,2|2,0,0]=4 2173 B14R0.2537 CCCCC(SCC(=O)CCC)C(=O)N 62a_100000748834_100000747444 [0,0,0,0,0,2|2,0,0]=4 2174 B14R0.2537 CCCCC(SCC(=O)NCC)C(=O)N 62a_100000183381_100000748834 [0,0,0,0,0,2|2,0,0]=4 2175 B14R0.2537 CCCCC(SCC(=O)NCC)C(=O)N 62a_100000748834_100000183381 [0,0,0,0,0,2|2,0,0]=4 2176 B14R0.2537 CCCCC(SCC(=O)OCC)C(=O)N 62a_100000188475_100000748834 [0,0,0,0,0,2|1,0,0]=3 2177 B14R0.2537 CCCCC(SCC(=O)OCC)C(=O)N 62a_100000748834_100000188475 [0,0,0,0,0,2|1,0,0]=3 2178 B14R0.2537 CCCC[C@H](NCC(=O)CCC)C(=O)N 2230a_100000124899_100000747444 [0,0,0,0,0,2|2,0,0]=4 2179 B14R0.2537 CCCC[C@H](NCC(=O)NCC)C(=O)N 2230a_100000124899_100000183381 [0,0,0,0,0,2|2,0,0]=4 2180 B14R0.2537 CCCC[C@H](NCC(=O)NCC)C(=O)N 34a_100000124899_100000183381 [0,0,0,0,0,2|2,0,0]=4 2181 B14R0.2537 CCCC[C@H](NCC(=O)OCC)C(=O)N 2230a_100000124899_100000188475 [0,0,0,0,0,2|1,0,0]=3 2182 B14R0.2537 CCCC[C@H](NCC(=O)OCC)C(=O)N 34a_100000124899_100000188475 [0,0,0,0,0,2|1,0,0]=3 2183 B14R0.2537 CCOC(=O)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000188475 [0,0,0,0,0,2|2,0,0]=4 2184 B14R0.2537 CCOC(=O)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100000188475 [0,0,0,0,0,2|2,0,0]=4 2185 B14R0.2537 CCOC(=O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000188475 [0,0,0,0,0,2|2,0,0]=4 2186 B14R0.2537 CCOC(=O)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000188475 [0,0,0,0,0,2|2,0,0]=4