0 B10R1.14 CC(CO)N1CCC(C1)O 2230a_100011215560_100012180447 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.14 C[C@H](CO)N1CCC(C1)O 269982a_100011215560_100016084084 [1,0,0,0,0,0|3,0,0]=4 2 B10R0.46 CC(CO)N(C)CC(O)CO 2230a_100000693034_100011219619 [0,0,1,0,0,0|3,0,0]=4 3 B10R0.46 CC(CO)N(C)CC(O)CO 2230a_100011216503_100012180447 [0,0,1,0,0,0|3,0,0]=4 4 B10R0.46 CC(CO)N(C)C[C@@H](O)CO 2230a_100000693034_100009815848 [0,0,1,0,0,0|3,0,0]=4 5 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,0,1,0,0,0|1,0,2]=4 6 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,0,1,0,0,0|1,0,2]=4 7 B10R0.46 C[C@H](CO)N(C)CC(O)CO 269982a_100011216503_100016084084 [0,0,1,0,0,0|3,0,0]=4 8 B10R0.56 CC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210206 [0,0,1,0,0,0|1,0,2]=4 9 B10R0.59 C=CC(C)COCC(O)CO 34a_100011215527_100011219619 [0,0,1,0,0,0|2,0,1]=4 10 B10R0.59 C=CC(C)COCC(O)CO 7a_100011215527_100011219619 [0,0,1,0,0,0|2,0,1]=4 11 B10R0.59 C=CC(C)COC[C@@H](O)CO 34a_100011215527_100009815848 [0,0,1,0,0,0|2,0,1]=4 12 B10R0.59 C=CC(C)COC[C@@H](O)CO 7a_100011215527_100009815848 [0,0,1,0,0,0|2,0,1]=4 13 B10R0.59 C=CC(O)CNC[C@H](O)CO 2230a_100020644852_100000730141 [0,0,1,0,0,0|2,0,1]=4 14 B10R0.59 C=CC(O)CSCC(O)CO 62a_100000730141_100011219619 [0,0,1,0,0,0|1,1,1]=4 15 B10R0.59 C=CC(O)CSCC(O)CO 62a_100011219619_100000730141 [0,0,1,0,0,0|1,1,1]=4 16 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100000730141_100009815848 [0,0,1,0,0,0|1,1,1]=4 17 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100009815848_100000730141 [0,0,1,0,0,0|1,1,1]=4 18 B10R0.59 C=C[C@H](N)COCC(O)CO 34a_100016989147_100011219619 [0,0,1,0,0,0|2,0,1]=4 19 B10R0.59 C=C[C@H](N)COC[C@@H](O)CO 34a_100016989147_100009815848 [0,0,1,0,0,0|2,0,1]=4 20 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [0,0,1,0,0,0|2,0,0]=3 21 B10R0.59 CC(CN)COC[C@@H](C)CO 34a_100000744482_100000059175 [0,0,1,0,0,0|3,0,0]=4 22 B10R0.59 CC(CN)COC[C@@H](O)CF 34a_100000744482_100015614560 [0,0,1,0,0,0|3,0,0]=4 23 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [0,0,1,0,0,0|2,0,0]=3 24 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [0,0,1,0,0,0|2,0,0]=3 25 B10R0.59 CC(CO)CNC[C@@H](C)CO 34a_100000744482_100000059175 [0,0,1,0,0,0|3,0,0]=4 26 B10R0.59 CC(CO)CNC[C@@H](O)CF 34a_100000744482_100015614560 [0,0,1,0,0,0|3,0,0]=4 27 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [0,0,1,0,0,0|2,0,0]=3 28 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,0,1,0,0,0|1,0,2]=4 29 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,0,1,0,0,0|1,0,2]=4 30 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [0,0,1,0,0,0|3,0,0]=4 31 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [0,0,1,0,0,0|3,0,0]=4 32 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [0,0,1,0,0,0|3,0,0]=4 33 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [0,0,1,0,0,0|2,1,0]=4 34 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [0,0,1,0,0,0|2,1,0]=4 35 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [0,0,1,0,0,0|2,1,0]=4 36 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [0,0,1,0,0,0|2,1,0]=4 37 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [0,0,1,0,0,0|3,0,0]=4 38 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,0,1,0,0,0|3,0,0]=4 39 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,0,1,0,0,0|2,0,0]=3 40 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [0,0,1,0,0,0|3,0,0]=4 41 B10R0.59 CCC(O)CNC[C@@H](F)CO 34a_100015665980_100011218378 [0,0,1,0,0,0|3,0,0]=4 42 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [0,0,1,0,0,0|3,0,0]=4 43 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,0,1,0,0,0|2,0,0]=3 44 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,0,1,0,0,0|2,0,0]=3 45 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [0,0,1,0,0,0|3,0,0]=4 46 B10R0.59 CCC(O)COCC(Cl)CCl 34a_100000033668_100011218378 [0,0,1,0,0,0|3,0,0]=4 47 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,0,1,0,0,0|3,0,0]=4 48 B10R0.59 CCC(O)COC[C@H](F)CN 34a_100015665980_100011218378 [0,0,1,0,0,0|3,0,0]=4 49 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,0,1,0,0,0|2,1,0]=4 50 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,0,1,0,0,0|1,1,0]=3 51 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,0,1,0,0,0|1,1,0]=3 52 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [0,0,1,0,0,0|2,1,0]=4 53 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [0,0,1,0,0,0|2,1,0]=4 54 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100011218378_100015614560 [0,0,1,0,0,0|2,1,0]=4 55 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100015614560_100011218378 [0,0,1,0,0,0|2,1,0]=4 56 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,0,1,0,0,0|1,1,0]=3 57 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,0,1,0,0,0|1,1,0]=3 58 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [0,0,1,0,0,0|3,0,0]=4 59 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,0,1,0,0,0|2,0,0]=3 60 B10R0.59 CC[C@H](C)COC[C@@H](C)CO 7a_100009816381_100000059175 [0,0,1,0,0,0|3,0,0]=4 61 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [0,0,1,0,0,0|3,0,0]=4 62 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,0,1,0,0,0|2,0,0]=3 63 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [0,0,1,0,0,0|2,1,0]=4 64 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [0,0,1,0,0,0|2,1,0]=4 65 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [0,0,1,0,0,0|2,1,0]=4 66 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [0,0,1,0,0,0|2,1,0]=4 67 B10R0.59 COC(C)COCC(O)CO 34a_100000690652_100011219619 [0,0,1,0,0,0|3,0,0]=4 68 B10R0.59 COC(C)COC[C@@H](O)CO 34a_100000690652_100009815848 [0,0,1,0,0,0|3,0,0]=4 69 B10R0.59 C[C@@H](CO)CNC[C@@H](F)CO 34a_100015665980_100000059175 [0,0,1,0,0,0|3,0,0]=4 70 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [0,0,1,0,0,0|2,0,0]=3 71 B10R0.59 C[C@@H](CO)COCC(Cl)CCl 34a_100000033668_100000059175 [0,0,1,0,0,0|3,0,0]=4 72 B10R0.59 C[C@@H](CO)COC[C@H](F)CN 34a_100015665980_100000059175 [0,0,1,0,0,0|3,0,0]=4 73 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [0,0,1,0,0,0|1,1,0]=3 74 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [0,0,1,0,0,0|1,1,0]=3 75 B10R0.59 C[C@@H](CO)CSC[C@@H](C)CO 62a_100000059175_100000059175 [0,0,1,0,0,0|2,1,0]=4 76 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100000059175_100015614560 [0,0,1,0,0,0|2,1,0]=4 77 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100015614560_100000059175 [0,0,1,0,0,0|2,1,0]=4 78 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [0,0,1,0,0,0|1,1,0]=3 79 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [0,0,1,0,0,0|1,1,0]=3 80 B10R0.59 NC[C@@H](F)COCC(O)CO 34a_100015665980_100011219619 [0,0,1,0,0,0|2,0,0]=3 81 B10R0.59 NC[C@@H](F)COC[C@@H](O)CF 34a_100015665980_100015614560 [0,0,1,0,0,0|3,0,0]=4 82 B10R0.59 NC[C@@H](F)COC[C@@H](O)CO 34a_100015665980_100009815848 [0,0,1,0,0,0|2,0,0]=3 83 B10R0.59 OCC(O)CNC[C@@H](F)CO 34a_100015665980_100011219619 [0,0,1,0,0,0|2,0,0]=3 84 B10R0.59 OCC(O)COCC(Cl)CCl 34a_100000033668_100011219619 [0,0,1,0,0,0|2,0,0]=3 85 B10R0.59 OCC(O)CSCC(O)CO 62a_100011219619_100011219619 [0,0,1,0,0,0|0,1,0]=2 86 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100011219619_100015614560 [0,0,1,0,0,0|1,1,0]=3 87 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100015614560_100011219619 [0,0,1,0,0,0|1,1,0]=3 88 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100009815848_100011219619 [0,0,1,0,0,0|0,1,0]=2 89 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100011219619_100009815848 [0,0,1,0,0,0|0,1,0]=2 90 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CF 2230a_100020644852_100015614560 [0,0,1,0,0,0|2,0,0]=3 91 B10R0.59 OC[C@H](F)CNC[C@@H](O)CF 34a_100015665980_100015614560 [0,0,1,0,0,0|3,0,0]=4 92 B10R0.59 OC[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100009815848 [0,0,1,0,0,0|2,0,0]=3 93 B10R0.59 OC[C@H](O)COCC(Cl)CCl 34a_100000033668_100009815848 [0,0,1,0,0,0|2,0,0]=3 94 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100009815848_100015614560 [0,0,1,0,0,0|1,1,0]=3 95 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100009815848 [0,0,1,0,0,0|1,1,0]=3 96 B10R0.59 OC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100009815848 [0,0,1,0,0,0|0,1,0]=2 97 B10R0.59 O[C@@H](CF)COCC(Cl)CCl 34a_100000033668_100015614560 [0,0,1,0,0,0|3,0,0]=4 98 B10R0.59 O[C@@H](CF)CSC[C@@H](O)CF 62a_100015614560_100015614560 [0,0,1,0,0,0|2,1,0]=4 99 B10R0.85 CC[C@H](C)[C@@H](CO)NCCO 2230a_100011827617_100000211926 [0,0,1,0,0,0|3,0,0]=4 100 B10R1.412 CC(CO)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012180447 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.412 C[C@H](CO)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100016084084 [0,0,0,0,1,0|3,0,0]=4 102 B12R1.367 CC(CO)N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100012180447 [0,0,0,0,0,1|3,0,0]=4 103 B12R1.367 C[C@H](CO)N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100016084084 [0,0,0,0,0,1|3,0,0]=4 104 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [1,0,1,0,0,0|2,0,0]=4 105 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [1,0,1,0,0,0|0,0,2]=4 106 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [1,0,1,0,0,0|0,0,2]=4 107 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [1,0,1,0,0,0|2,0,0]=4 108 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [1,0,1,0,0,0|2,0,0]=4 109 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [1,0,1,0,0,0|2,0,0]=4 110 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [1,0,1,0,0,0|2,0,0]=4 111 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [1,0,1,0,0,0|2,0,0]=4 112 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [1,0,1,0,0,0|2,0,0]=4 113 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [1,0,1,0,0,0|2,0,0]=4 114 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [1,0,1,0,0,0|2,0,0]=4 115 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [1,0,1,0,0,0|2,0,0]=4 116 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [1,0,1,0,0,0|2,0,0]=4 117 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [1,0,1,0,0,0|2,0,0]=4 118 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [1,0,1,0,0,0|2,0,0]=4 119 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [1,0,1,0,0,0|2,0,0]=4 120 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [1,0,1,0,0,0|0,0,2]=4 121 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [1,0,1,0,0,0|1,0,1]=4 122 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [1,0,1,0,0,0|1,0,1]=4 123 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [1,0,1,0,0,0|0,0,2]=4 124 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [1,0,1,0,0,0|0,0,2]=4 125 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [1,0,1,0,0,0|1,0,0]=3 126 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [1,0,1,0,0,0|2,0,0]=4 127 B9R0.1 CC(Br)COC[C@@H](O)CF 34a_100012180447_100015614560 [1,0,1,0,0,0|2,0,0]=4 128 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [1,0,1,0,0,0|1,0,0]=3 129 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [1,0,1,0,0,0|2,0,0]=4 130 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [1,0,1,0,0,0|2,0,0]=4 131 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [1,0,1,0,0,0|2,0,0]=4 132 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [1,0,1,0,0,0|2,0,0]=4 133 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [1,0,1,0,0,0|2,0,0]=4 134 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [1,0,1,0,0,0|1,0,0]=3 135 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,0,1,0,0,0|2,0,0]=4 136 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [1,0,1,0,0,0|2,0,0]=4 137 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [1,0,1,0,0,0|1,0,0]=3 138 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [1,0,1,0,0,0|1,1,0]=4 139 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [1,0,1,0,0,0|1,1,0]=4 140 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [1,0,1,0,0,0|1,1,0]=4 141 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [1,0,1,0,0,0|1,1,0]=4 142 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [1,0,1,0,0,0|2,0,0]=4 143 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,0,1,0,0,0|2,0,0]=4 144 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [1,0,1,0,0,0|1,0,0]=3 145 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [1,0,1,0,0,0|2,0,0]=4 146 B9R0.1 CC(F)COC[C@@H](O)CF 34a_100015925927_100015614560 [1,0,1,0,0,0|2,0,0]=4 147 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [1,0,1,0,0,0|1,0,0]=3 148 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,0,1,0,0,0|2,0,0]=4 149 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [1,0,1,0,0,0|1,0,0]=3 150 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [1,0,1,0,0,0|1,0,0]=3 151 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,0,1,0,0,0|2,0,0]=4 152 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,0,1,0,0,0|2,0,0]=4 153 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [1,0,1,0,0,0|2,0,0]=4 154 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [1,0,1,0,0,0|2,0,0]=4 155 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [1,0,1,0,0,0|2,0,0]=4 156 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [1,0,1,0,0,0|1,0,0]=3 157 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [1,0,1,0,0,0|1,0,0]=3 158 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [1,0,1,0,0,0|1,0,0]=3 159 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [1,0,1,0,0,0|2,0,0]=4 160 B9R0.1 CC(O)COCC(Cl)CCl 34a_100000033668_100011218427 [1,0,1,0,0,0|2,0,0]=4 161 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [1,0,1,0,0,0|2,0,0]=4 162 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [1,0,1,0,0,0|0,1,0]=3 163 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [1,0,1,0,0,0|0,1,0]=3 164 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,0,1,0,0,0|1,1,0]=4 165 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,0,1,0,0,0|1,1,0]=4 166 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [1,0,1,0,0,0|1,1,0]=4 167 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [1,0,1,0,0,0|1,1,0]=4 168 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [1,0,1,0,0,0|0,1,0]=3 169 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [1,0,1,0,0,0|0,1,0]=3 170 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [1,0,1,0,0,0|2,0,0]=4 171 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [1,0,1,0,0,0|2,0,0]=4 172 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [1,0,1,0,0,0|2,0,0]=4 173 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [1,0,1,0,0,0|2,0,0]=4 174 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [1,0,1,0,0,0|2,0,0]=4 175 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [1,0,1,0,0,0|2,0,0]=4 176 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [1,0,1,0,0,0|2,0,0]=4 177 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [1,0,1,0,0,0|2,0,0]=4 178 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [1,0,1,0,0,0|2,0,0]=4 179 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [1,0,1,0,0,0|1,1,0]=4 180 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [1,0,1,0,0,0|1,1,0]=4 181 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [1,0,1,0,0,0|1,1,0]=4 182 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [1,0,1,0,0,0|1,1,0]=4 183 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [1,0,1,0,0,0|2,0,0]=4 184 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [1,0,1,0,0,0|2,0,0]=4 185 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [1,0,1,0,0,0|2,0,0]=4 186 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [1,0,1,0,0,0|2,0,0]=4 187 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,0,1,0,0,0|1,1,0]=4 188 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,0,1,0,0,0|1,1,0]=4 189 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [1,0,1,0,0,0|1,0,0]=3 190 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CF 34a_100016084084_100015614560 [1,0,1,0,0,0|2,0,0]=4 191 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [1,0,1,0,0,0|1,0,0]=3 192 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [1,0,1,0,0,0|1,0,0]=3 193 B9R0.1 C[C@@H](N)COC[C@@H](O)CF 34a_100000737577_100015614560 [1,0,1,0,0,0|2,0,0]=4 194 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [1,0,1,0,0,0|1,0,0]=3 195 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [1,0,1,0,0,0|2,0,0]=4 196 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [1,0,1,0,0,0|1,0,0]=3 197 B9R0.1 C[C@@H](O)COCC(Cl)CCl 34a_100000033668_100009817552 [1,0,1,0,0,0|2,0,0]=4 198 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [1,0,1,0,0,0|2,0,0]=4 199 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [1,0,1,0,0,0|0,1,0]=3 200 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [1,0,1,0,0,0|0,1,0]=3 201 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [1,0,1,0,0,0|1,1,0]=4 202 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [1,0,1,0,0,0|1,1,0]=4 203 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [1,0,1,0,0,0|0,1,0]=3 204 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [1,0,1,0,0,0|0,1,0]=3 205 B9R0.1 OCC(O)COCC(F)F 34a_100000743014_100011219619 [1,0,1,0,0,0|2,0,0]=4 206 B9R0.1 OC[C@H](O)COCC(F)F 34a_100000743014_100009815848 [1,0,1,0,0,0|2,0,0]=4 207 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [1,0,1,0,0,0|1,0,1]=4 208 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [1,0,1,0,0,0|1,0,1]=4 209 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [1,0,1,0,0,0|1,0,1]=4 210 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [1,0,1,0,0,0|1,0,1]=4 211 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [1,0,1,0,0,0|2,0,0]=4 212 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [1,0,1,0,0,0|2,0,0]=4 213 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,0,1,0,0,0|2,0,0]=4 214 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [1,0,1,0,0,0|2,0,0]=4 215 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [1,0,1,0,0,0|2,0,0]=4 216 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [1,0,1,0,0,0|2,0,0]=4 217 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [1,0,1,0,0,0|2,0,0]=4 218 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,0,1,0,0,0|1,1,0]=4 219 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,0,1,0,0,0|1,1,0]=4 220 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,0,1,0,0,0|2,0,0]=4 221 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,0,1,0,0,0|2,0,0]=4 222 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,0,1,0,0,0|2,0,0]=4 223 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,0,1,0,0,0|2,0,0]=4 224 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,0,1,0,0,0|2,0,0]=4 225 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,0,1,0,0,0|2,0,0]=4 226 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,0,1,0,0,0|2,0,0]=4 227 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,0,1,0,0,0|1,0,0]=3 228 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,0,1,0,0,0|1,0,0]=3 229 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,0,1,0,0,0|2,0,0]=4 230 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,0,1,0,0,0|2,0,0]=4 231 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [1,0,1,0,0,0|2,0,0]=4 232 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [1,0,1,0,0,0|2,0,0]=4 233 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,0,1,0,0,0|1,0,0]=3 234 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,0,1,0,0,0|1,0,0]=3 235 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,0,1,0,0,0|1,1,0]=4 236 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,0,1,0,0,0|1,1,0]=4 237 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,0,1,0,0,0|1,1,0]=4 238 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,0,1,0,0,0|1,1,0]=4 239 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,0,1,0,0,0|2,0,0]=4 240 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [1,0,1,0,0,0|2,0,0]=4 241 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [1,0,1,0,0,0|2,0,0]=4 242 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [1,0,1,0,0,0|2,0,0]=4 243 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [1,0,1,0,0,0|2,0,0]=4 244 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [1,0,1,0,0,0|2,0,0]=4 245 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [1,0,1,0,0,0|2,0,0]=4 246 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [1,0,1,0,0,0|2,0,0]=4 247 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [1,0,1,0,0,0|2,0,0]=4 248 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [1,0,1,0,0,0|2,0,0]=4 249 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [1,0,1,0,0,0|2,0,0]=4 250 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,0,1,0,0,0|1,1,0]=4 251 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,0,1,0,0,0|1,1,0]=4 252 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [1,0,1,0,0,0|1,0,0]=3 253 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [1,0,1,0,0,0|2,0,0]=4 254 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [1,0,1,0,0,0|1,0,0]=3 255 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [1,0,1,0,0,0|2,0,0]=4 256 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [1,0,1,0,0,0|2,0,0]=4 257 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [1,0,1,0,0,0|2,0,0]=4 258 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [1,0,1,0,0,0|2,0,0]=4 259 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [1,0,1,0,0,0|2,0,0]=4 260 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [1,0,1,0,0,0|1,0,0]=3 261 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [1,0,1,0,0,0|1,0,0]=3 262 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [1,0,1,0,0,0|1,0,0]=3 263 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [1,0,1,0,0,0|1,1,0]=4 264 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [1,0,1,0,0,0|1,1,0]=4 265 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [1,0,1,0,0,0|2,0,0]=4 266 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [1,0,1,0,0,0|1,0,0]=3 267 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [1,0,1,0,0,0|2,0,0]=4 268 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,0,1,0,0,0|0,1,0]=3 269 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,0,1,0,0,0|0,1,0]=3 270 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [1,0,1,0,0,0|1,1,0]=4 271 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [1,0,1,0,0,0|1,1,0]=4 272 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,0,1,0,0,0|0,1,0]=3 273 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,0,1,0,0,0|0,1,0]=3 274 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [1,0,1,0,0,0|2,0,0]=4 275 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [1,0,1,0,0,0|2,0,0]=4 276 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [1,0,1,0,0,0|2,0,0]=4 277 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [1,0,1,0,0,0|1,0,0]=3 278 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [1,0,1,0,0,0|1,0,0]=3 279 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [1,0,1,0,0,0|1,0,0]=3 280 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [1,0,1,0,0,0|1,1,0]=4 281 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [1,0,1,0,0,0|1,1,0]=4 282 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [1,0,1,0,0,0|2,0,0]=4 283 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [1,0,1,0,0,0|2,0,0]=4 284 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [1,0,1,0,0,0|2,0,0]=4 285 B9R0.13 CC(C)C(CN)OCCO 34a_100000759067_100000211926 [1,0,1,0,0,0|2,0,0]=4 286 B9R0.13 CC(C)[C@H](CO)NCCO 2230a_100011830312_100000211926 [1,0,1,0,0,0|2,0,0]=4 287 B9R0.13 CC(C)[C@H](CO)NCCO 34a_100011830312_100000211926 [1,0,1,0,0,0|2,0,0]=4 288 B9R0.13 CCC(OCCO)C(C)C 34a_100011218073_100000211926 [1,0,1,0,0,0|2,0,0]=4 289 B9R0.13 CCC(OCCO)C(C)C 7a_100011218073_100000211926 [1,0,1,0,0,0|2,0,0]=4 290 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [1,0,1,0,0,0|2,0,0]=4 291 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [1,0,1,0,0,0|2,0,0]=4 292 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2230a_100161114882_100000211926 [1,0,1,0,0,0|2,0,0]=4 293 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 34a_100161114882_100000211926 [1,0,1,0,0,0|2,0,0]=4 294 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 2230a_100015196842_100011217306 [1,0,1,0,0,0|2,0,0]=4 295 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 34a_100015196842_100011217306 [1,0,1,0,0,0|2,0,0]=4 296 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [1,0,1,0,0,0|1,0,0]=3 297 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [1,0,1,0,0,0|1,0,0]=3 298 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [1,0,1,0,0,0|2,0,0]=4 299 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [1,0,1,0,0,0|2,0,0]=4 300 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [1,0,1,0,0,0|2,0,0]=4 301 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [1,0,1,0,0,0|2,0,0]=4 302 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [2,0,0,0,0,0|2,0,0]=4 304 B11R0.109 CC(C)C(O)CNCC(O)CO 2230a_100000759067_100011219619 [0,1,1,0,0,0|2,0,0]=4 305 B11R0.109 CC(C)C(O)CNCC(O)CO 34a_100000759067_100011219619 [0,1,1,0,0,0|2,0,0]=4 306 B11R0.109 CC(C)C(O)CNC[C@@H](O)CO 2230a_100000759067_100009815848 [0,1,1,0,0,0|2,0,0]=4 307 B11R0.109 CC(C)C(O)CNC[C@@H](O)CO 34a_100000759067_100009815848 [0,1,1,0,0,0|2,0,0]=4 308 B11R0.109 CC(C)[C@@H](N)COCC(O)CO 34a_100011830312_100011219619 [0,1,1,0,0,0|2,0,0]=4 309 B11R0.109 CC(C)[C@@H](N)COC[C@@H](O)CO 34a_100011830312_100009815848 [0,1,1,0,0,0|2,0,0]=4 310 B11R0.110 CCC(O)CN(C)CC(O)CO 2230a_100011216503_100011218378 [0,1,1,0,0,0|2,0,0]=4 311 B11R0.110 CCC(O)CN(C)CC(O)CO 269982a_100011216503_100011218378 [0,1,1,0,0,0|2,0,0]=4 312 B11R0.110 CN(CC(O)CO)CC(O)CO 2230a_100011216503_100011219619 [0,1,1,0,0,0|1,0,0]=3 313 B11R0.110 CN(CC(O)CO)C[C@@H](O)CF 2230a_100011216503_100015614560 [0,1,1,0,0,0|2,0,0]=4 314 B11R0.110 CN(CC(O)CO)C[C@@H](O)CO 2230a_100011216503_100009815848 [0,1,1,0,0,0|1,0,0]=3 315 B11R0.110 C[C@@H](CO)CN(C)CC(O)CO 2230a_100011216503_100000059175 [0,1,1,0,0,0|2,0,0]=4 316 B11R0.110 C[C@@H](CO)CN(C)CC(O)CO 269982a_100011216503_100000059175 [0,1,1,0,0,0|2,0,0]=4 317 B11R0.120 CCC(C)C(C)OCC(O)CO 7a_100011215189_100011219619 [0,1,1,0,0,0|2,0,0]=4 318 B11R0.120 CCC(C)C(C)OC[C@@H](O)CO 7a_100011215189_100009815848 [0,1,1,0,0,0|2,0,0]=4 319 B11R0.174 C=CCC(C)COCC(O)CO 34a_100009832082_100011219619 [0,1,1,0,0,0|2,0,0]=4 320 B11R0.174 C=CCC(C)COCC(O)CO 7a_100009832082_100011219619 [0,1,1,0,0,0|2,0,0]=4 321 B11R0.174 C=CCC(C)COC[C@@H](O)CO 34a_100009832082_100009815848 [0,1,1,0,0,0|2,0,0]=4 322 B11R0.174 C=CCC(C)COC[C@@H](O)CO 7a_100009832082_100009815848 [0,1,1,0,0,0|2,0,0]=4 323 B11R0.174 C=CC[C@@H](N)COCC(O)CO 34a_100020615467_100011219619 [0,1,1,0,0,0|2,0,0]=4 324 B11R0.174 C=CC[C@@H](N)COC[C@@H](O)CO 34a_100020615467_100009815848 [0,1,1,0,0,0|2,0,0]=4 325 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [0,1,1,0,0,0|2,0,0]=4 326 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [0,1,1,0,0,0|2,0,0]=4 327 B11R0.174 CCC(O)CNCC(O)COC 2230a_100000756049_100011218378 [0,1,1,0,0,0|2,0,0]=4 328 B11R0.174 CCC(O)CNCC(O)COC 34a_100000756049_100011218378 [0,1,1,0,0,0|2,0,0]=4 329 B11R0.174 CCC(O)COCC(N)COC 34a_100000724102_100011218378 [0,1,1,0,0,0|2,0,0]=4 330 B11R0.174 CCC(O)CSCC(O)COC 62a_100011215053_100011218378 [0,1,1,0,0,0|1,1,0]=4 331 B11R0.174 CCC(O)CSCC(O)COC 62a_100011218378_100011215053 [0,1,1,0,0,0|1,1,0]=4 332 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,1,1,0,0,0|2,0,0]=4 333 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,1,1,0,0,0|2,0,0]=4 334 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,1,1,0,0,0|2,0,0]=4 335 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,1,1,0,0,0|2,0,0]=4 336 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,1,1,0,0,0|2,0,0]=4 337 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,1,1,0,0,0|2,0,0]=4 338 B11R0.174 CC[C@H](C)COCC(O)COC 7a_100009816381_100011215053 [0,1,1,0,0,0|2,0,0]=4 339 B11R0.174 COCC(N)COCC(O)CO 34a_100000724102_100011219619 [0,1,1,0,0,0|1,0,0]=3 340 B11R0.174 COCC(N)COC[C@@H](C)CO 34a_100000724102_100000059175 [0,1,1,0,0,0|2,0,0]=4 341 B11R0.174 COCC(N)COC[C@@H](O)CF 34a_100000724102_100015614560 [0,1,1,0,0,0|2,0,0]=4 342 B11R0.174 COCC(N)COC[C@@H](O)CO 34a_100000724102_100009815848 [0,1,1,0,0,0|1,0,0]=3 343 B11R0.174 COCC(O)CNCC(C)CO 34a_100000744482_100011215053 [0,1,1,0,0,0|2,0,0]=4 344 B11R0.174 COCC(O)CNCC(O)CO 2230a_100000756049_100011219619 [0,1,1,0,0,0|1,0,0]=3 345 B11R0.174 COCC(O)CNCC(O)CO 34a_100000756049_100011219619 [0,1,1,0,0,0|1,0,0]=3 346 B11R0.174 COCC(O)CNC[C@@H](C)CO 2230a_100000756049_100000059175 [0,1,1,0,0,0|2,0,0]=4 347 B11R0.174 COCC(O)CNC[C@@H](C)CO 34a_100000756049_100000059175 [0,1,1,0,0,0|2,0,0]=4 348 B11R0.174 COCC(O)CNC[C@@H](F)CO 34a_100015665980_100011215053 [0,1,1,0,0,0|2,0,0]=4 349 B11R0.174 COCC(O)CNC[C@@H](O)CF 2230a_100000756049_100015614560 [0,1,1,0,0,0|2,0,0]=4 350 B11R0.174 COCC(O)CNC[C@@H](O)CF 34a_100000756049_100015614560 [0,1,1,0,0,0|2,0,0]=4 351 B11R0.174 COCC(O)CNC[C@@H](O)CO 2230a_100000756049_100009815848 [0,1,1,0,0,0|1,0,0]=3 352 B11R0.174 COCC(O)CNC[C@@H](O)CO 34a_100000756049_100009815848 [0,1,1,0,0,0|1,0,0]=3 353 B11R0.174 COCC(O)COCC(C)CN 34a_100000744482_100011215053 [0,1,1,0,0,0|2,0,0]=4 354 B11R0.174 COCC(O)COCC(Cl)CCl 34a_100000033668_100011215053 [0,1,1,0,0,0|2,0,0]=4 355 B11R0.174 COCC(O)COC[C@H](F)CN 34a_100015665980_100011215053 [0,1,1,0,0,0|2,0,0]=4 356 B11R0.174 COCC(O)CSCC(O)CO 62a_100011215053_100011219619 [0,1,1,0,0,0|0,1,0]=3 357 B11R0.174 COCC(O)CSCC(O)CO 62a_100011219619_100011215053 [0,1,1,0,0,0|0,1,0]=3 358 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100000059175_100011215053 [0,1,1,0,0,0|1,1,0]=4 359 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100011215053_100000059175 [0,1,1,0,0,0|1,1,0]=4 360 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100011215053_100015614560 [0,1,1,0,0,0|1,1,0]=4 361 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100015614560_100011215053 [0,1,1,0,0,0|1,1,0]=4 362 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100009815848_100011215053 [0,1,1,0,0,0|0,1,0]=3 363 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100011215053_100009815848 [0,1,1,0,0,0|0,1,0]=3 364 B11R0.174 N#CC[C@H](O)CNC[C@H](O)CO 2230a_100020644852_100000001066 [0,1,1,0,0,0|2,0,0]=4 365 B11R0.174 N#CC[C@H](O)CSCC(O)CO 62a_100000001066_100011219619 [0,1,1,0,0,0|1,1,0]=4 366 B11R0.174 N#CC[C@H](O)CSCC(O)CO 62a_100011219619_100000001066 [0,1,1,0,0,0|1,1,0]=4 367 B11R0.174 N#CC[C@H](O)CSC[C@@H](O)CO 62a_100000001066_100009815848 [0,1,1,0,0,0|1,1,0]=4 368 B11R0.174 N#CC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100000001066 [0,1,1,0,0,0|1,1,0]=4 369 B11R0.200 CCC(CC)COCC(O)CO 7a_100000703878_100011219619 [0,1,1,0,0,0|2,0,0]=4 370 B11R0.200 CCC(CC)COC[C@@H](O)CO 7a_100000703878_100009815848 [0,1,1,0,0,0|2,0,0]=4 371 B11R0.200 CCC(COCC(O)CO)OC 34a_100011934954_100011219619 [0,1,1,0,0,0|1,0,0]=3 372 B11R0.200 CCC(COCC(O)CO)OC 7a_100011934954_100011219619 [0,1,1,0,0,0|1,0,0]=3 373 B11R0.200 CCC(COC[C@@H](C)CO)OC 34a_100011934954_100000059175 [0,1,1,0,0,0|2,0,0]=4 374 B11R0.200 CCC(COC[C@@H](C)CO)OC 7a_100011934954_100000059175 [0,1,1,0,0,0|2,0,0]=4 375 B11R0.200 CCC(COC[C@@H](O)CF)OC 34a_100011934954_100015614560 [0,1,1,0,0,0|2,0,0]=4 376 B11R0.200 CCC(COC[C@@H](O)CF)OC 7a_100011934954_100015614560 [0,1,1,0,0,0|2,0,0]=4 377 B11R0.200 CCC(COC[C@@H](O)CO)OC 34a_100011934954_100009815848 [0,1,1,0,0,0|1,0,0]=3 378 B11R0.200 CCC(COC[C@@H](O)CO)OC 7a_100011934954_100009815848 [0,1,1,0,0,0|1,0,0]=3 379 B11R0.200 CCC(O)COCC(CC)OC 34a_100011934954_100011218378 [0,1,1,0,0,0|2,0,0]=4 380 B11R0.200 CCC(O)COCC(CC)OC 7a_100011934954_100011218378 [0,1,1,0,0,0|2,0,0]=4 381 B11R0.200 COC(COCC(O)CO)OC 34a_100011216393_100011219619 [0,1,1,0,0,0|2,0,0]=4 382 B11R0.200 COC(COC[C@@H](O)CO)OC 34a_100011216393_100009815848 [0,1,1,0,0,0|2,0,0]=4 383 B11R0.320 CC(C)(CCl)COCC(O)CO 7a_100011217199_100011219619 [0,1,1,0,0,0|2,0,0]=4 384 B11R0.320 CC(C)(CCl)COC[C@@H](O)CO 7a_100011217199_100009815848 [0,1,1,0,0,0|2,0,0]=4 385 B11R0.320 CC(C)(CO)CNCC(O)CO 2230a_100020635058_100011219619 [0,1,1,0,0,0|2,0,0]=4 386 B11R0.320 CC(C)(CO)CNC[C@@H](O)CO 2230a_100020635058_100009815848 [0,1,1,0,0,0|2,0,0]=4 387 B11R0.320 CC(C)(CO)CSCC(O)CO 62a_100009813988_100011219619 [0,1,1,0,0,0|1,1,0]=4 388 B11R0.320 CC(C)(CO)CSCC(O)CO 62a_100011219619_100009813988 [0,1,1,0,0,0|1,1,0]=4 389 B11R0.320 CC(C)(CO)CSC[C@@H](O)CO 62a_100009813988_100009815848 [0,1,1,0,0,0|1,1,0]=4 390 B11R0.320 CC(C)(CO)CSC[C@@H](O)CO 62a_100009815848_100009813988 [0,1,1,0,0,0|1,1,0]=4 391 B11R0.320 CCC(C)(C)COCC(O)CO 7a_100000765029_100011219619 [0,1,1,0,0,0|2,0,0]=4 392 B11R0.320 CCC(C)(C)COC[C@@H](O)CO 7a_100000765029_100009815848 [0,1,1,0,0,0|2,0,0]=4 393 B11R0.320 NCC(F)(F)COCC(O)CO 34a_100000703232_100011219619 [0,1,1,0,0,0|2,0,0]=4 394 B11R0.320 NCC(F)(F)COC[C@@H](O)CO 34a_100000703232_100009815848 [0,1,1,0,0,0|2,0,0]=4 395 B11R1.39 OCC(O)CN1CCC(C1)O 2230a_100011215560_100011219619 [0,0,1,1,0,0|2,0,0]=4 396 B11R1.39 OC[C@H](O)CN1CCC(C1)O 2230a_100011215560_100009815848 [0,0,1,1,0,0|2,0,0]=4 397 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,0,1,1,0,0|2,0,0]=4 398 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,0,1,1,0,0|2,0,0]=4 399 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,0,1,1,0,0|2,0,0]=4 400 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,0,1,1,0,0|2,0,0]=4 401 B11R1.236 CCC(O)COCC1CCO1 34a_100000039022_100011218378 [0,0,1,1,0,0|2,0,0]=4 402 B11R1.236 CCC(O)COCC1COC1 34a_100000060846_100011218378 [0,0,1,1,0,0|2,0,0]=4 403 B11R1.236 C[C@@H](CO)COCC1CCO1 34a_100000039022_100000059175 [0,0,1,1,0,0|2,0,0]=4 404 B11R1.236 C[C@@H](CO)COCC1COC1 34a_100000060846_100000059175 [0,0,1,1,0,0|2,0,0]=4 405 B11R1.236 OCC(O)CNCC1COC1 2230a_100015281925_100011219619 [0,0,1,1,0,0|2,0,0]=4 406 B11R1.236 OCC(O)CNCC1COC1 34a_100015281925_100011219619 [0,0,1,1,0,0|2,0,0]=4 407 B11R1.236 OCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011219619 [0,0,1,1,0,0|2,0,0]=4 408 B11R1.236 OCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011219619 [0,0,1,1,0,0|2,0,0]=4 409 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,0,1,1,0,0|2,0,0]=4 410 B11R1.236 OCC(O)COCC1CCO1 34a_100000039022_100011219619 [0,0,1,1,0,0|1,0,0]=3 411 B11R1.236 OCC(O)COCC1CNC1 34a_100016987283_100011219619 [0,0,1,1,0,0|2,0,0]=4 412 B11R1.236 OCC(O)COCC1COC1 34a_100000060846_100011219619 [0,0,1,1,0,0|1,0,0]=3 413 B11R1.236 OCC(O)CSCC1CCO1 62a_100000103362_100011219619 [0,0,1,1,0,0|1,1,0]=4 414 B11R1.236 OCC(O)CSCC1CCO1 62a_100011219619_100000103362 [0,0,1,1,0,0|1,1,0]=4 415 B11R1.236 OCC(O)CSCC1COC1 62a_100010264016_100011219619 [0,0,1,1,0,0|1,1,0]=4 416 B11R1.236 OCC(O)CSCC1COC1 62a_100011219619_100010264016 [0,0,1,1,0,0|1,1,0]=4 417 B11R1.236 OC[C@@H](O)CNCC1CCO1 2230a_100020644852_100000103362 [0,0,1,1,0,0|2,0,0]=4 418 B11R1.236 OC[C@@H](O)CNCC1COC1 2230a_100020644852_100010264016 [0,0,1,1,0,0|2,0,0]=4 419 B11R1.236 OC[C@H](O)CNCC1COC1 2230a_100015281925_100009815848 [0,0,1,1,0,0|2,0,0]=4 420 B11R1.236 OC[C@H](O)CNCC1COC1 34a_100015281925_100009815848 [0,0,1,1,0,0|2,0,0]=4 421 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009815848 [0,0,1,1,0,0|2,0,0]=4 422 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009815848 [0,0,1,1,0,0|2,0,0]=4 423 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,0,1,1,0,0|2,0,0]=4 424 B11R1.236 OC[C@H](O)COCC1CCO1 34a_100000039022_100009815848 [0,0,1,1,0,0|1,0,0]=3 425 B11R1.236 OC[C@H](O)COCC1CNC1 34a_100016987283_100009815848 [0,0,1,1,0,0|2,0,0]=4 426 B11R1.236 OC[C@H](O)COCC1COC1 34a_100000060846_100009815848 [0,0,1,1,0,0|1,0,0]=3 427 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100000103362_100009815848 [0,0,1,1,0,0|1,1,0]=4 428 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100009815848_100000103362 [0,0,1,1,0,0|1,1,0]=4 429 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100009815848_100010264016 [0,0,1,1,0,0|1,1,0]=4 430 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100010264016_100009815848 [0,0,1,1,0,0|1,1,0]=4 431 B11R1.236 O[C@@H](CF)COCC1CCO1 34a_100000039022_100015614560 [0,0,1,1,0,0|2,0,0]=4 432 B11R1.236 O[C@@H](CF)COCC1COC1 34a_100000060846_100015614560 [0,0,1,1,0,0|2,0,0]=4 433 B11R1.264 OCC(O)CN1CC(C1)CO 34a_100016987283_100011219619 [0,0,1,1,0,0|2,0,0]=4 434 B11R1.264 OCC1CN(C1)C[C@@H](O)CO 34a_100016987283_100009815848 [0,0,1,1,0,0|2,0,0]=4 435 B11R1.1029 CC1(CC1)COCC(O)CO 7a_100000698024_100011219619 [0,0,1,1,0,0|2,0,0]=4 436 B11R1.1029 CC1(CC1)COC[C@@H](O)CO 7a_100000698024_100009815848 [0,0,1,1,0,0|2,0,0]=4 437 B11R1.1029 CC1(CO1)CSCC(O)CO 62a_100000760498_100011219619 [0,0,1,1,0,0|1,1,0]=4 438 B11R1.1029 CC1(CO1)CSCC(O)CO 62a_100011219619_100000760498 [0,0,1,1,0,0|1,1,0]=4 439 B11R1.1029 CC1(CO1)CSC[C@@H](O)CO 62a_100000760498_100009815848 [0,0,1,1,0,0|1,1,0]=4 440 B11R1.1029 CC1(CO1)CSC[C@@H](O)CO 62a_100009815848_100000760498 [0,0,1,1,0,0|1,1,0]=4 441 B11R1.1029 OCC(O)CNCC1(CC1)O 2230a_100011936951_100011219619 [0,0,1,1,0,0|2,0,0]=4 442 B11R1.1029 OCC(O)COCC1(CC1)F 34a_200000703853_100011219619 [0,0,1,1,0,0|2,0,0]=4 443 B11R1.1029 OCC(O)COCC1(CC1)F 7a_200000703853_100011219619 [0,0,1,1,0,0|2,0,0]=4 444 B11R1.1029 OC[C@H](O)CNCC1(CC1)O 2230a_100011936951_100009815848 [0,0,1,1,0,0|2,0,0]=4 445 B11R1.1029 OC[C@H](O)COCC1(CC1)F 34a_200000703853_100009815848 [0,0,1,1,0,0|2,0,0]=4 446 B11R1.1029 OC[C@H](O)COCC1(CC1)F 7a_200000703853_100009815848 [0,0,1,1,0,0|2,0,0]=4 447 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCO 34a_100016994285_100000211926 [0,0,1,1,0,0|2,0,0]=4 448 B11R1.17 N[C@H]1COCC[C@@H]1OCCO 34a_100015739063_100000211926 [0,0,1,1,0,0|2,0,0]=4 449 B11R1.17 OCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000211926 [0,0,1,1,0,0|2,0,0]=4 450 B11R1.17 OCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000211926 [0,0,1,1,0,0|2,0,0]=4 451 B11R1.317 OCCN[C@H](CO)C1COC1 2230a_217856628679_100000211926 [0,0,1,1,0,0|2,0,0]=4 452 B11R1.317 OCCN[C@H](CO)C1COC1 34a_217856628679_100000211926 [0,0,1,1,0,0|2,0,0]=4 453 B9R1.82 C[C@H](CO)N1CC(C1)O 269982a_100000749847_100016084084 [1,0,0,0,1,0|2,0,0]=4 454 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [1,0,0,0,1,0|2,0,0]=4 455 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [1,0,0,0,1,0|2,0,0]=4 456 B11R0.63 CC(O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011218427 [0,0,1,0,0,1|0,0,2]=4 457 B11R0.106 CC(CO)CCNCC(O)CO 2230a_106354213184_100011219619 [0,0,1,0,0,1|2,0,0]=4 458 B11R0.106 CC(CO)CCNCC(O)CO 34a_106354213184_100011219619 [0,0,1,0,0,1|2,0,0]=4 459 B11R0.106 CC(CO)CCNC[C@@H](O)CO 2230a_106354213184_100009815848 [0,0,1,0,0,1|2,0,0]=4 460 B11R0.106 CC(CO)CCNC[C@@H](O)CO 34a_106354213184_100009815848 [0,0,1,0,0,1|2,0,0]=4 461 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,0,1,0,0,1|2,0,0]=4 462 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,0,1,0,0,1|2,0,0]=4 463 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000211926 [1,0,0,0,0,1|2,0,0]=4 464 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000211926 [1,0,0,0,0,1|2,0,0]=4 465 B13R1.2879 OCC(O)CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100011219619 [0,0,0,0,0,2|2,0,0]=4 466 B13R1.2879 OC[C@H](O)CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100009815848 [0,0,0,0,0,2|2,0,0]=4