0 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [0,0,1,0,0,0|3,0,0]=4 5 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,0,1,0,0,0|1,0,2]=4 6 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,0,1,0,0,0|1,0,2]=4 7 B9R0.24 C#C[C@@H](C)OCC(O)CO 34a_100009815206_100011219619 [0,0,1,0,0,0|2,0,1]=4 8 B9R0.24 C#C[C@@H](C)OCC(O)CO 7a_100009815206_100011219619 [0,0,1,0,0,0|2,0,1]=4 9 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 34a_100009815206_100009815848 [0,0,1,0,0,0|2,0,1]=4 10 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 7a_100009815206_100009815848 [0,0,1,0,0,0|2,0,1]=4 11 B9R0.24 C=CC(C)OCC(O)CO 34a_100000695699_100011219619 [0,0,1,0,0,0|2,0,1]=4 12 B9R0.24 C=CC(C)OC[C@@H](O)CO 34a_100000695699_100009815848 [0,0,1,0,0,0|2,0,1]=4 13 B9R0.24 CC(C#N)OCC(O)CO 34a_100011218135_100011219619 [0,0,1,0,0,0|2,0,1]=4 14 B9R0.24 CC(C#N)OC[C@@H](O)CO 34a_100011218135_100009815848 [0,0,1,0,0,0|2,0,1]=4 15 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [0,0,1,0,0,0|2,0,0]=3 16 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [0,0,1,0,0,0|2,0,0]=3 17 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [0,0,1,0,0,0|3,0,0]=4 18 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.24 CC(CF)OC[C@@H](O)CF 34a_100016041109_100015614560 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.24 CC(CF)OC[C@@H](O)CF 7a_100016041109_100015614560 [0,0,1,0,0,0|3,0,0]=4 21 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [0,0,1,0,0,0|2,0,0]=3 22 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [0,0,1,0,0,0|2,0,0]=3 23 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [0,0,1,0,0,0|3,0,0]=4 24 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [0,0,1,0,0,0|2,0,0]=3 25 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,0,1,0,0,0|3,0,0]=4 26 B9R0.24 CC(CN)OC[C@@H](O)CF 34a_100000210904_100015614560 [0,0,1,0,0,0|3,0,0]=4 27 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [0,0,1,0,0,0|2,0,0]=3 28 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,0,1,0,0,0|3,0,0]=4 29 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [0,0,1,0,0,0|3,0,0]=4 30 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,0,1,0,0,0|2,0,0]=3 31 B9R0.24 CC(CO)OCC(Cl)CCl 34a_100000033668_100012180447 [0,0,1,0,0,0|3,0,0]=4 32 B9R0.24 CC(CO)OC[C@H](F)CN 34a_100015665980_100012180447 [0,0,1,0,0,0|3,0,0]=4 33 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,0,1,0,0,0|1,1,0]=3 34 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,0,1,0,0,0|2,1,0]=4 35 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,0,1,0,0,0|2,1,0]=4 36 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,0,1,0,0,0|1,1,0]=3 37 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,0,1,0,0,0|3,0,0]=4 38 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,0,1,0,0,0|3,0,0]=4 39 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,0,1,0,0,0|3,0,0]=4 40 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,0,1,0,0,0|2,0,0]=3 41 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,0,1,0,0,0|3,0,0]=4 42 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [0,0,1,0,0,0|3,0,0]=4 43 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,0,1,0,0,0|2,0,0]=3 44 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,0,1,0,0,0|2,1,0]=4 45 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,0,1,0,0,0|2,1,0]=4 46 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,0,1,0,0,0|2,1,0]=4 47 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,0,1,0,0,0|2,1,0]=4 48 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [0,0,1,0,0,0|3,0,0]=4 49 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [0,0,1,0,0,0|3,0,0]=4 50 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,0,1,0,0,0|3,0,0]=4 51 B9R0.24 CCC(O)COC(C)CF 34a_100016041109_100011218378 [0,0,1,0,0,0|3,0,0]=4 52 B9R0.24 CCC(O)COC(C)CF 7a_100016041109_100011218378 [0,0,1,0,0,0|3,0,0]=4 53 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [0,0,1,0,0,0|3,0,0]=4 54 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,0,1,0,0,0|2,1,0]=4 55 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,0,1,0,0,0|2,1,0]=4 56 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,0,1,0,0,0|2,1,0]=4 57 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,0,1,0,0,0|3,0,0]=4 58 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,0,1,0,0,0|3,0,0]=4 59 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,0,1,0,0,0|2,1,0]=4 60 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,0,1,0,0,0|2,1,0]=4 61 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,0,1,0,0,0|2,0,0]=3 62 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [0,0,1,0,0,0|3,0,0]=4 63 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,0,1,0,0,0|2,0,0]=3 64 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,0,1,0,0,0|1,1,0]=3 65 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,0,1,0,0,0|1,1,0]=3 66 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,0,1,0,0,0|2,1,0]=4 67 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,0,1,0,0,0|2,1,0]=4 68 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,0,1,0,0,0|1,1,0]=3 69 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,0,1,0,0,0|1,1,0]=3 70 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,0,1,0,0,0|1,0,2]=4 71 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,0,1,0,0,0|1,0,2]=4 72 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,0,1,0,0,0|1,0,2]=4 73 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,0,1,0,0,0|1,0,2]=4 74 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,0,1,0,0,0|1,0,2]=4 75 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [1,0,1,0,0,0|2,0,0]=4 76 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [1,0,1,0,0,0|2,0,0]=4 77 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [1,0,1,0,0,0|2,0,0]=4 78 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [1,0,1,0,0,0|2,0,0]=4 79 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [1,0,1,0,0,0|1,1,0]=4 81 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [1,0,1,0,0,0|1,1,0]=4 82 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,0,1,0,0,0|2,0,0]=4 83 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,0,1,0,0,0|2,0,0]=4 84 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,0,1,0,0,0|2,0,0]=4 85 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [1,0,1,0,0,0|2,0,0]=4 86 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [1,0,1,0,0,0|2,0,0]=4 87 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [1,0,1,0,0,0|0,0,2]=4 88 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [1,0,1,0,0,0|1,0,1]=4 89 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [1,0,1,0,0,0|1,0,1]=4 90 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [1,0,1,0,0,0|1,0,1]=4 91 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [1,0,1,0,0,0|1,0,1]=4 92 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [1,0,1,0,0,0|2,0,0]=4 93 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [1,0,1,0,0,0|2,0,0]=4 94 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,0,1,0,0,0|2,0,0]=4 95 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [1,0,1,0,0,0|2,0,0]=4 96 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,0,1,0,0,0|2,0,0]=4 97 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,0,1,0,0,0|2,0,0]=4 98 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,0,1,0,0,0|2,0,0]=4 99 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,0,1,0,0,0|2,0,0]=4 100 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,0,1,0,0,0|2,0,0]=4 101 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,0,1,0,0,0|1,1,0]=4 102 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,0,1,0,0,0|2,0,0]=4 103 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,0,1,0,0,0|2,0,0]=4 104 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,0,1,0,0,0|2,0,0]=4 105 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,0,1,0,0,0|2,0,0]=4 106 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,0,1,0,0,0|2,0,0]=4 107 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,0,1,0,0,0|2,0,0]=4 108 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,0,1,0,0,0|1,1,0]=4 109 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,0,1,0,0,0|1,1,0]=4 110 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,0,1,0,0,0|2,0,0]=4 111 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,0,1,0,0,0|2,0,0]=4 112 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,0,1,0,0,0|2,0,0]=4 113 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,0,1,0,0,0|2,0,0]=4 114 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,0,1,0,0,0|1,0,0]=3 115 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,0,1,0,0,0|2,0,0]=4 116 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,0,1,0,0,0|2,0,0]=4 117 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,0,1,0,0,0|1,0,0]=3 118 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,0,1,0,0,0|1,1,0]=4 119 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,0,1,0,0,0|1,1,0]=4 120 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,0,1,0,0,0|1,1,0]=4 121 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,0,1,0,0,0|1,1,0]=4 122 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,0,1,0,0,0|2,0,0]=4 123 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,0,1,0,0,0|2,0,0]=4 124 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,0,1,0,0,0|2,0,0]=4 125 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,0,1,0,0,0|2,0,0]=4 126 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,0,1,0,0,0|2,0,0]=4 127 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,0,1,0,0,0|1,1,0]=4 128 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,0,1,0,0,0|1,1,0]=4 129 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,0,1,0,0,0|2,0,0]=4 130 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,0,1,0,0,0|1,1,0]=4 131 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,0,1,0,0,0|1,1,0]=4 132 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,0,1,0,0,0|1,0,0]=3 133 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [1,0,1,0,0,0|2,0,0]=4 134 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,0,1,0,0,0|1,0,0]=3 135 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [1,0,1,0,0,0|2,0,0]=4 136 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [1,0,1,0,0,0|2,0,0]=4 137 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [1,0,1,0,0,0|1,0,0]=3 138 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [1,0,1,0,0,0|1,1,0]=4 139 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [1,0,1,0,0,0|1,1,0]=4 140 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,0,1,0,0,0|1,0,0]=3 141 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,0,1,0,0,0|1,0,0]=3 142 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,0,1,0,0,0|2,0,0]=4 143 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [1,0,1,0,0,0|2,0,0]=4 144 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [1,0,1,0,0,0|2,0,0]=4 145 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,0,1,0,0,0|1,0,0]=3 146 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,0,1,0,0,0|1,0,0]=3 147 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,0,1,0,0,0|1,0,0]=3 148 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [1,0,1,0,0,0|2,0,0]=4 149 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,0,1,0,0,0|0,1,0]=3 150 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,0,1,0,0,0|0,1,0]=3 151 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [1,0,1,0,0,0|1,1,0]=4 152 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [1,0,1,0,0,0|1,1,0]=4 153 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,0,1,0,0,0|0,1,0]=3 154 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,0,1,0,0,0|0,1,0]=3 155 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [1,0,1,0,0,0|2,0,0]=4 156 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [1,0,1,0,0,0|2,0,0]=4 157 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [1,0,1,0,0,0|1,0,0]=3 158 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [1,0,1,0,0,0|1,1,0]=4 159 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [1,0,1,0,0,0|1,1,0]=4 160 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [1,0,1,0,0,0|2,0,0]=4 161 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [1,0,1,0,0,0|2,0,0]=4 162 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [1,0,1,0,0,0|2,0,0]=4 163 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [1,0,1,0,0,0|2,0,0]=4 164 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [1,0,1,0,0,0|2,0,0]=4 165 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [1,0,1,0,0,0|2,0,0]=4 166 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [1,0,1,0,0,0|2,0,0]=4 167 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [1,0,1,0,0,0|2,0,0]=4 168 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [1,0,1,0,0,0|2,0,0]=4 169 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [1,0,1,0,0,0|1,0,0]=3 170 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [1,0,1,0,0,0|2,0,0]=4 171 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [1,0,1,0,0,0|2,0,0]=4 172 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [1,0,1,0,0,0|1,0,0]=3 173 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [1,0,1,0,0,0|1,1,0]=4 174 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [1,0,1,0,0,0|1,1,0]=4 175 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [1,0,1,0,0,0|1,1,0]=4 176 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [1,0,1,0,0,0|1,1,0]=4 177 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [1,0,1,0,0,0|2,0,0]=4 178 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [1,0,1,0,0,0|2,0,0]=4 179 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [1,0,1,0,0,0|2,0,0]=4 180 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [1,0,1,0,0,0|2,0,0]=4 181 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [1,0,1,0,0,0|2,0,0]=4 182 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [1,0,1,0,0,0|1,1,0]=4 183 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [1,0,1,0,0,0|2,0,0]=4 184 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [1,0,1,0,0,0|2,0,0]=4 185 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [1,0,1,0,0,0|2,0,0]=4 186 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [1,0,1,0,0,0|2,0,0]=4 187 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [1,0,1,0,0,0|2,0,0]=4 188 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [1,0,1,0,0,0|2,0,0]=4 189 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [1,0,1,0,0,0|2,0,0]=4 190 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [1,0,1,0,0,0|1,1,0]=4 191 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [1,0,1,0,0,0|1,1,0]=4 192 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [1,0,1,0,0,0|1,1,0]=4 193 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,0,1,0,0,0|2,0,0]=4 194 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,0,1,0,0,0|2,0,0]=4 195 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,0,1,0,0,0|2,0,0]=4 196 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [1,0,1,0,0,0|2,0,0]=4 197 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [1,0,1,0,0,0|1,1,0]=4 198 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [1,0,1,0,0,0|1,1,0]=4 199 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [1,0,1,0,0,0|0,0,2]=4 200 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [1,0,1,0,0,0|0,0,2]=4 201 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,0,1,0,0,0|0,0,2]=4 202 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [2,0,0,0,0,0|2,0,0]=4 206 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,1,1,0,0,0|2,0,0]=4 207 B10R0.35 O=C(CCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011217306 [0,1,1,0,0,0|2,0,0]=4 208 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [0,1,1,0,0,0|1,0,0]=3 209 B10R0.45 C#CC(CC)OCC(O)CO 34a_100000758843_100011219619 [0,1,1,0,0,0|2,0,0]=4 210 B10R0.45 C#CC(CC)OCC(O)CO 7a_100000758843_100011219619 [0,1,1,0,0,0|2,0,0]=4 211 B10R0.45 C#CC(CC)OC[C@@H](O)CO 34a_100000758843_100009815848 [0,1,1,0,0,0|2,0,0]=4 212 B10R0.45 C#CC(CC)OC[C@@H](O)CO 7a_100000758843_100009815848 [0,1,1,0,0,0|2,0,0]=4 213 B10R0.45 C=CC(CC)OCC(O)CO 34a_100000766422_100011219619 [0,1,1,0,0,0|2,0,0]=4 214 B10R0.45 C=CC(CC)OCC(O)CO 7a_100000766422_100011219619 [0,1,1,0,0,0|2,0,0]=4 215 B10R0.45 C=CC(CC)OC[C@@H](O)CO 34a_100000766422_100009815848 [0,1,1,0,0,0|2,0,0]=4 216 B10R0.45 C=CC(CC)OC[C@@H](O)CO 7a_100000766422_100009815848 [0,1,1,0,0,0|2,0,0]=4 217 B10R0.45 C=C[C@@H](CO)NCC(O)CO 2230a_100016989147_100011219619 [0,1,1,0,0,0|2,0,0]=4 218 B10R0.45 C=C[C@@H](CO)NCC(O)CO 34a_100016989147_100011219619 [0,1,1,0,0,0|2,0,0]=4 219 B10R0.45 C=C[C@@H](CO)NC[C@@H](O)CO 2230a_100016989147_100009815848 [0,1,1,0,0,0|2,0,0]=4 220 B10R0.45 C=C[C@@H](CO)NC[C@@H](O)CO 34a_100016989147_100009815848 [0,1,1,0,0,0|2,0,0]=4 221 B10R0.45 CCC(CC)OCC(O)CO 7a_100000688536_100011219619 [0,1,1,0,0,0|2,0,0]=4 222 B10R0.45 CCC(CC)OC[C@@H](O)CO 7a_100000688536_100009815848 [0,1,1,0,0,0|2,0,0]=4 223 B10R0.45 CCC(COC(C)CO)OC 34a_100011934954_100012180447 [0,1,1,0,0,0|2,0,0]=4 224 B10R0.45 CCC(COC(C)CO)OC 7a_100011934954_100012180447 [0,1,1,0,0,0|2,0,0]=4 225 B10R0.45 CCC(O)CNC(CO)CO 2230a_100000759517_100011218378 [0,1,1,0,0,0|2,0,0]=4 226 B10R0.45 CC[C@@H](CO)NCC(O)CO 2230a_100000709445_100011219619 [0,1,1,0,0,0|2,0,0]=4 227 B10R0.45 CC[C@@H](CO)NC[C@@H](O)CO 2230a_100000709445_100009815848 [0,1,1,0,0,0|2,0,0]=4 228 B10R0.45 C[C@@H](CO)CNC(CO)CO 2230a_100000759517_100000059175 [0,1,1,0,0,0|2,0,0]=4 229 B10R0.45 NCC(CN)OCC(O)CO 34a_100000031598_100011219619 [0,1,1,0,0,0|2,0,0]=4 230 B10R0.45 NCC(CN)OC[C@@H](O)CO 34a_100000031598_100009815848 [0,1,1,0,0,0|2,0,0]=4 231 B10R0.45 OCC(CO)NC[C@@H](O)CF 2230a_100000759517_100015614560 [0,1,1,0,0,0|2,0,0]=4 232 B10R0.45 OCC(O)COC(CCl)CCl 7a_100000737055_100011219619 [0,1,1,0,0,0|2,0,0]=4 233 B10R0.45 OCC(O)COC(CF)CF 34a_100000032261_100011219619 [0,1,1,0,0,0|2,0,0]=4 234 B10R0.45 OCC(O)COC(CF)CF 7a_100000032261_100011219619 [0,1,1,0,0,0|2,0,0]=4 235 B10R0.45 OCC(O)CO[C@@H](CF)CCl 34a_100015614560_100011219619 [0,1,1,0,0,0|2,0,0]=4 236 B10R0.45 OCC(O)CO[C@@H](CF)CCl 7a_100015614560_100011219619 [0,1,1,0,0,0|2,0,0]=4 237 B10R0.45 OC[C@H](O)COC(CCl)CCl 7a_100000737055_100009815848 [0,1,1,0,0,0|2,0,0]=4 238 B10R0.45 OC[C@H](O)COC(CF)CF 34a_100000032261_100009815848 [0,1,1,0,0,0|2,0,0]=4 239 B10R0.45 OC[C@H](O)COC(CF)CF 7a_100000032261_100009815848 [0,1,1,0,0,0|2,0,0]=4 240 B10R0.45 OC[C@H](O)CO[C@@H](CF)CCl 34a_100015614560_100009815848 [0,1,1,0,0,0|2,0,0]=4 241 B10R0.45 OC[C@H](O)CO[C@@H](CF)CCl 7a_100015614560_100009815848 [0,1,1,0,0,0|2,0,0]=4 242 B10R0.82 CC(C)C(C)OCC(O)CO 7a_100000748068_100011219619 [0,1,1,0,0,0|2,0,0]=4 243 B10R0.82 CC(C)C(C)OC[C@@H](O)CO 7a_100000748068_100009815848 [0,1,1,0,0,0|2,0,0]=4 244 B10R0.108 C#CCC(C)OCC(O)CO 34a_100000685586_100011219619 [0,1,1,0,0,0|2,0,0]=4 245 B10R0.108 C#CCC(C)OCC(O)CO 7a_100000685586_100011219619 [0,1,1,0,0,0|2,0,0]=4 246 B10R0.108 C#CCC(C)OC[C@@H](O)CO 34a_100000685586_100009815848 [0,1,1,0,0,0|2,0,0]=4 247 B10R0.108 C#CCC(C)OC[C@@H](O)CO 7a_100000685586_100009815848 [0,1,1,0,0,0|2,0,0]=4 248 B10R0.108 C=CC[C@@H](C)OCC(O)CO 34a_100000731007_100011219619 [0,1,1,0,0,0|2,0,0]=4 249 B10R0.108 C=CC[C@@H](C)OCC(O)CO 7a_100000731007_100011219619 [0,1,1,0,0,0|2,0,0]=4 250 B10R0.108 C=CC[C@@H](C)OC[C@@H](O)CO 34a_100000731007_100009815848 [0,1,1,0,0,0|2,0,0]=4 251 B10R0.108 C=CC[C@@H](C)OC[C@@H](O)CO 7a_100000731007_100009815848 [0,1,1,0,0,0|2,0,0]=4 252 B10R0.108 CC(CCBr)OCC(O)CO 34a_100012276601_100011219619 [0,1,1,0,0,0|2,0,0]=4 253 B10R0.108 CC(CCBr)OC[C@@H](O)CO 34a_100012276601_100009815848 [0,1,1,0,0,0|2,0,0]=4 254 B10R0.108 CC(CCO)NC[C@H](O)CO 2230a_100020644852_100009893172 [0,1,1,0,0,0|2,0,0]=4 255 B10R0.108 CC(CCO)SCC(O)CO 62a_100009893172_100011219619 [0,1,1,0,0,0|1,1,0]=4 256 B10R0.108 CC(CCO)SCC(O)CO 62a_100011219619_100009893172 [0,1,1,0,0,0|1,1,0]=4 257 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009815848_100009893172 [0,1,1,0,0,0|1,1,0]=4 258 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009893172_100009815848 [0,1,1,0,0,0|1,1,0]=4 259 B10R0.108 CCC(C)OCC(O)COC 7a_100000210228_100011215053 [0,1,1,0,0,0|2,0,0]=4 260 B10R0.108 CCC(O)CO[C@H](C)COC 34a_100011934205_100011218378 [0,1,1,0,0,0|2,0,0]=4 261 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,1,1,0,0,0|2,0,0]=4 262 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,1,1,0,0,0|2,0,0]=4 263 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,1,1,0,0,0|2,0,0]=4 264 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,1,1,0,0,0|2,0,0]=4 265 B10R0.108 COCC(C)NC[C@H](O)CO 2230a_100020644852_100000765312 [0,1,1,0,0,0|2,0,0]=4 266 B10R0.108 COCC(C)SCC(O)CO 62a_100000765312_100011219619 [0,1,1,0,0,0|1,1,0]=4 267 B10R0.108 COCC(C)SCC(O)CO 62a_100011219619_100000765312 [0,1,1,0,0,0|1,1,0]=4 268 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100000765312_100009815848 [0,1,1,0,0,0|1,1,0]=4 269 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100009815848_100000765312 [0,1,1,0,0,0|1,1,0]=4 270 B10R0.108 COCC(N)COC(C)CO 34a_100000724102_100012180447 [0,1,1,0,0,0|2,0,0]=4 271 B10R0.108 COCC(O)CNC(C)CO 2230a_100000756049_100012180447 [0,1,1,0,0,0|2,0,0]=4 272 B10R0.108 COCC(O)CNC(C)CO 34a_100000756049_100012180447 [0,1,1,0,0,0|2,0,0]=4 273 B10R0.108 COCC(O)COC(C)CF 34a_100016041109_100011215053 [0,1,1,0,0,0|2,0,0]=4 274 B10R0.108 COCC(O)COC(C)CF 7a_100016041109_100011215053 [0,1,1,0,0,0|2,0,0]=4 275 B10R0.108 COCC(O)COC(C)CN 34a_100000210904_100011215053 [0,1,1,0,0,0|2,0,0]=4 276 B10R0.108 COCC(O)CSC(C)CO 62a_100012180447_100011215053 [0,1,1,0,0,0|1,1,0]=4 277 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100011215053_100016084084 [0,1,1,0,0,0|1,1,0]=4 278 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100016084084_100011215053 [0,1,1,0,0,0|1,1,0]=4 279 B10R0.108 COC[C@@H](C)NCC(O)CO 2230a_100000764878_100011219619 [0,1,1,0,0,0|2,0,0]=4 280 B10R0.108 COC[C@@H](C)NC[C@@H](O)CO 2230a_100000764878_100009815848 [0,1,1,0,0,0|2,0,0]=4 281 B10R0.108 COC[C@@H](C)OCC(O)CO 34a_100011934205_100011219619 [0,1,1,0,0,0|1,0,0]=3 282 B10R0.108 COC[C@@H](C)OC[C@@H](C)CO 34a_100011934205_100000059175 [0,1,1,0,0,0|2,0,0]=4 283 B10R0.108 COC[C@@H](C)OC[C@@H](O)CF 34a_100011934205_100015614560 [0,1,1,0,0,0|2,0,0]=4 284 B10R0.108 COC[C@@H](C)OC[C@@H](O)CO 34a_100011934205_100009815848 [0,1,1,0,0,0|1,0,0]=3 285 B10R0.108 C[C@H](CCO)NCC(O)CO 2230a_100000706166_100011219619 [0,1,1,0,0,0|2,0,0]=4 286 B10R0.108 C[C@H](CCO)NCC(O)CO 34a_100000706166_100011219619 [0,1,1,0,0,0|2,0,0]=4 287 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 2230a_100000706166_100009815848 [0,1,1,0,0,0|2,0,0]=4 288 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 34a_100000706166_100009815848 [0,1,1,0,0,0|2,0,0]=4 289 B10R0.115 CC(C)(CCl)OCC(O)CO 7a_100000764493_100011219619 [0,1,1,0,0,0|2,0,0]=4 290 B10R0.115 CC(C)(CCl)OC[C@@H](O)CO 7a_100000764493_100009815848 [0,1,1,0,0,0|2,0,0]=4 291 B10R0.115 CC(C)(CO)NCC(O)CO 2230a_100000210608_100011219619 [0,1,1,0,0,0|2,0,0]=4 292 B10R0.115 CC(C)(CO)NC[C@@H](O)CO 2230a_100000210608_100009815848 [0,1,1,0,0,0|2,0,0]=4 293 B10R0.115 CCC(C)(C)OCC(O)CO 7a_100000210230_100011219619 [0,1,1,0,0,0|2,0,0]=4 294 B10R0.115 CCC(C)(C)OC[C@@H](O)CO 7a_100000210230_100009815848 [0,1,1,0,0,0|2,0,0]=4 295 B10R0.115 OCC(O)CSC(F)(F)CO 62a_100011217949_100011219619 [0,1,1,0,0,0|1,1,0]=4 296 B10R0.115 OCC(O)CSC(F)(F)CO 62a_100011219619_100011217949 [0,1,1,0,0,0|1,1,0]=4 297 B10R0.115 OC[C@H](O)CSC(F)(F)CO 62a_100009815848_100011217949 [0,1,1,0,0,0|1,1,0]=4 298 B10R0.115 OC[C@H](O)CSC(F)(F)CO 62a_100011217949_100009815848 [0,1,1,0,0,0|1,1,0]=4 299 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200000210301 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200000210301 [0,2,0,0,0,0|1,0,0]=3 301 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200025704644 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200025704644 [0,2,0,0,0,0|1,0,0]=3 303 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,0,1,1,0,0|2,0,0]=4 304 B10R1.29 NCCOC1COCC1O 34a_100000210304_200000725654 [0,0,1,1,0,0|2,0,0]=4 305 B10R1.29 N[C@H]1COC[C@@H]1OCCO 34a_100015191717_100000211926 [0,0,1,1,0,0|2,0,0]=4 306 B10R1.29 OC1COCC1OCCBr 34a_100000211926_200000725654 [0,0,1,1,0,0|2,0,0]=4 307 B10R1.29 OCCNC1COCC1O 34a_100016990907_200000725654 [0,0,1,1,0,0|2,0,0]=4 308 B10R1.29 OCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000211926 [0,0,1,1,0,0|2,0,0]=4 309 B10R1.29 OCCSC1COCC1O 62a_100000211926_200000725654 [0,0,1,1,0,0|1,1,0]=4 310 B10R1.29 OCCSC1COCC1O 62a_200000725654_100000211926 [0,0,1,1,0,0|1,1,0]=4 311 B10R1.151 CC(CO)OCC1CCO1 34a_100000039022_100012180447 [0,0,1,1,0,0|2,0,0]=4 312 B10R1.151 CC(CO)OCC1COC1 34a_100000060846_100012180447 [0,0,1,1,0,0|2,0,0]=4 313 B10R1.151 OCC(O)CNC1COC1 2230a_100016991112_100011219619 [0,0,1,1,0,0|2,0,0]=4 314 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [0,0,1,1,0,0|2,0,0]=4 315 B10R1.151 OCC(O)COC1CSC1 7a_100000072292_100011219619 [0,0,1,1,0,0|1,1,0]=4 316 B10R1.151 OCC(O)CSC1COC1 62a_100011219619_100009818527 [0,0,1,1,0,0|1,1,0]=4 317 B10R1.151 OC[C@H](O)CNC1COC1 2230a_100016991112_100009815848 [0,0,1,1,0,0|2,0,0]=4 318 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [0,0,1,1,0,0|2,0,0]=4 319 B10R1.151 OC[C@H](O)COC1CSC1 7a_100000072292_100009815848 [0,0,1,1,0,0|1,1,0]=4 320 B10R1.151 OC[C@H](O)CSC1COC1 62a_100009815848_100009818527 [0,0,1,1,0,0|1,1,0]=4 321 B10R1.152 CC1(CC1)OCC(O)CO 7a_100011725673_100011219619 [0,0,1,1,0,0|2,0,0]=4 322 B10R1.152 CC1(CC1)OC[C@@H](O)CO 7a_100011725673_100009815848 [0,0,1,1,0,0|2,0,0]=4 323 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [1,0,0,0,1,0|2,0,0]=4 324 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [1,0,0,0,1,0|2,0,0]=4 325 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [1,0,0,0,1,0|2,0,0]=4 326 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [1,0,0,0,1,0|2,0,0]=4 327 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [0,0,1,0,0,1|2,0,0]=4 328 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [0,0,1,0,0,1|2,0,0]=4 329 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [0,0,1,0,0,1|2,0,0]=4 330 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [0,0,1,0,0,1|2,0,0]=4 331 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,0,1,0,0,1|2,0,0]=4 332 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,0,1,0,0,1|2,0,0]=4 333 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,0,1,0,0,1|2,0,0]=4 334 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,0,1,0,0,1|1,1,0]=4 335 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,0,1,0,0,1|1,1,0]=4 336 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,0,1,0,0,1|1,1,0]=4 337 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,0,1,0,0,1|1,1,0]=4 338 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,0,1,0,0,1|2,0,0]=4 339 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,0,1,0,0,1|2,0,0]=4 340 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [0,0,1,0,0,1|2,0,0]=4 341 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [0,0,1,0,0,1|1,1,0]=4 342 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [0,0,1,0,0,1|1,1,0]=4 343 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [0,0,1,0,0,1|1,1,0]=4 344 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [0,0,1,0,0,1|1,1,0]=4 345 B10R0.59 NC[C@@H](F)COCC(O)CO 34a_100015665980_100011219619 [0,0,1,0,0,1|2,0,0]=4 346 B10R0.59 NC[C@@H](F)COC[C@@H](O)CO 34a_100015665980_100009815848 [0,0,1,0,0,1|2,0,0]=4 347 B10R0.59 OCC(O)CNC[C@@H](F)CO 34a_100015665980_100011219619 [0,0,1,0,0,1|2,0,0]=4 348 B10R0.59 OCC(O)COCC(Cl)CCl 34a_100000033668_100011219619 [0,0,1,0,0,1|2,0,0]=4 349 B10R0.59 OCC(O)CSCC(O)CO 62a_100011219619_100011219619 [0,0,1,0,0,1|0,1,0]=3 350 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100011219619_100015614560 [0,0,1,0,0,1|1,1,0]=4 351 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100015614560_100011219619 [0,0,1,0,0,1|1,1,0]=4 352 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100009815848_100011219619 [0,0,1,0,0,1|0,1,0]=3 353 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100011219619_100009815848 [0,0,1,0,0,1|0,1,0]=3 354 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CF 2230a_100020644852_100015614560 [0,0,1,0,0,1|2,0,0]=4 355 B10R0.59 OC[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100009815848 [0,0,1,0,0,1|2,0,0]=4 356 B10R0.59 OC[C@H](O)COCC(Cl)CCl 34a_100000033668_100009815848 [0,0,1,0,0,1|2,0,0]=4 357 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100009815848_100015614560 [0,0,1,0,0,1|1,1,0]=4 358 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100009815848 [0,0,1,0,0,1|1,1,0]=4 359 B10R0.59 OC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100009815848 [0,0,1,0,0,1|0,1,0]=3