0 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,0,0,0|3,0,0]=4 1 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,0,1,0,0,0|2,0,1]=4 5 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,0,1,0,0,0|2,0,1]=4 6 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,0,1,0,0,0|2,0,1]=4 7 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,0,1,0,0,0|2,0,1]=4 8 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,0,1,0,0,0|2,0,1]=4 9 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,0,1,0,0,0|2,0,1]=4 10 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,0,1,0,0,0|2,0,1]=4 11 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,0,1,0,0,0|3,0,0]=4 12 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,0,1,0,0,0|3,0,0]=4 13 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,0,1,0,0,0|2,0,0]=3 14 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,0,1,0,0,0|2,0,0]=3 15 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,0,1,0,0,0|3,0,0]=4 16 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,0,1,0,0,0|3,0,0]=4 17 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,0,1,0,0,0|2,0,0]=3 18 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,0,1,0,0,0|3,0,0]=4 19 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,0,1,0,0,0|3,0,0]=4 20 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,0,1,0,0,0|2,0,0]=3 21 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,0,1,0,0,0|2,0,0]=3 22 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,0,1,0,0,0|2,0,0]=3 23 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,0,1,0,0,0|2,0,0]=3 24 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,0,1,0,0,0|2,1,0]=4 25 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,0,1,0,0,0|1,1,0]=3 26 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,0,1,0,0,0|3,0,0]=4 28 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,0,1,0,0,0|3,0,0]=4 29 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,0,1,0,0,0|3,0,0]=4 30 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,0,1,0,0,0|2,1,0]=4 34 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,0,1,0,0,0|2,1,0]=4 35 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,0,1,0,0,0|2,1,0]=4 36 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,0,1,0,0,0|2,1,0]=4 37 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,1,0,0,0|3,0,0]=4 39 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,0,1,0,0,0|3,0,0]=4 41 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,0,1,0,0,0|3,0,0]=4 43 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,0,1,0,0,0|2,0,0]=3 44 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,0,1,0,0,0|2,1,0]=4 45 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,0,1,0,0,0|2,1,0]=4 46 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,0,1,0,0,0|2,1,0]=4 47 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,0,1,0,0,0|3,0,0]=4 48 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,1,0,0,0|3,0,0]=4 50 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,0,1,0,0,0|2,0,0]=3 51 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,0,1,0,0,0|3,0,0]=4 57 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,0,1,0,0,0|3,0,0]=4 58 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,0,1,0,0,0|3,0,0]=4 59 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,0,1,0,0,0|1,0,0]=2 61 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,0,1,0,0,0|3,0,0]=4 62 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,0,1,0,0,0|2,0,0]=3 64 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,0,1,0,0,0|2,0,0]=3 65 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,0,1,0,0,0|1,0,0]=2 66 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,1,0,0,0|2,1,0]=4 68 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,1,0,0,0|2,1,0]=4 69 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,0,1,0,0,0|1,1,0]=3 70 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,0,1,0,0,0|1,1,0]=3 71 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,0,1,0,0,0|2,1,0]=4 72 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,0,1,0,0,0|2,1,0]=4 73 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,0,1,0,0,0|2,1,0]=4 74 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,0,1,0,0,0|2,1,0]=4 75 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,0,1,0,0,0|1,1,0]=3 76 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,0,1,0,0,0|1,1,0]=3 77 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,0,1,0,0,0|3,0,0]=4 78 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,0,1,0,0,0|2,1,0]=4 79 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,0,1,0,0,0|2,1,0]=4 80 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,0,1,0,0,0|2,0,0]=3 82 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,0,1,0,0,0|2,1,0]=4 83 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,0,1,0,0,0|2,1,0]=4 84 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,0,1,0,0,0|1,1,0]=3 85 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,0,1,0,0,0|1,1,0]=3 86 B7R0.3 FCOCC(Cl)CCl 34a_100000033668_100015361967 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.3 NC[C@@H](F)COCF 34a_100015665980_100015361967 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,1,0,0,0|1,0,2]=4 89 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,1,0,0,0|1,0,2]=4 90 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,1,0,0,0|1,0,2]=4 91 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,0,1,0,0,0|1,1,0]=3 92 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,0,1,0,0,0|1,1,0]=3 93 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,0,1,0,0,0|1,1,0]=3 95 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,0,1,0,0,0|1,1,0]=3 96 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,0,1,0,0,0|2,1,0]=4 97 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,0,1,0,0,0|2,1,0]=4 98 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,0,1,0,0,0|1,0,2]=4 99 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,0,1,0,0,0|3,0,0]=4 101 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,0,1,0,0,0|1,0,2]=4 102 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,0,1,0,0,0|1,0,2]=4 103 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,0,1,0,0,0|1,0,2]=4 104 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,0,1,0|3,0,0]=4 105 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,0,1,0|3,0,0]=4 106 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,0,1,0|3,0,0]=4 107 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,0,0,0,0,1|3,0,0]=4 112 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,0,1,0,0,0|1,0,1]=4 113 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,1,0,0,0|1,1,0]=4 115 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,1,0,0,0|1,1,0]=4 116 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,1,0,0,0|2,0,0]=4 118 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 121 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 123 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,1,0,0,0|1,0,0]=3 125 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,1,0,0,0|1,1,0]=4 126 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,1,0,0,0|1,1,0]=4 127 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,1,0,0,0|1,1,0]=4 128 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,1,0,0,0|1,1,0]=4 129 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,1,0,0,0|2,0,0]=4 134 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,1,0,0,0|2,0,0]=4 135 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,1,0,0,0|2,0,0]=4 138 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 141 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,1,0,0,0|1,0,0]=3 142 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|1,1,0]=4 143 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|1,1,0]=4 144 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|1,1,0]=4 145 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,1,0,0,0|1,0,0]=3 153 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,1,0,0,0|1,0,0]=3 154 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,1,0,0,0|1,0,0]=3 155 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,1,0,0,0|1,0,0]=3 163 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,1,0,0,0|1,0,0]=3 164 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,1,0,0,0|1,0,0]=3 165 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,1,0,0,0|1,0,0]=3 166 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,1,0,0,0|2,0,0]=4 168 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,1,0,0,0|1,0,0]=3 170 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,1,0,0,0|0,0,0]=2 173 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,1,0,0,0|1,0,0]=3 174 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,0,1,0,0,0|1,0,0]=3 175 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,1,0,0,0|0,0,0]=2 176 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,1,0,0,0|1,1,0]=4 178 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,1,0,0,0|1,1,0]=4 179 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,1,0,0,0|0,1,0]=3 180 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,1,0,0,0|0,1,0]=3 181 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,1,0,0,0|1,1,0]=4 182 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,1,0,0,0|1,1,0]=4 183 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,0,1,0,0,0|1,1,0]=4 184 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,0,1,0,0,0|1,1,0]=4 185 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,1,0,0,0|0,1,0]=3 186 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,1,0,0,0|0,1,0]=3 187 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,1,0,0,0|1,1,0]=4 188 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,1,0,0,0|1,1,0]=4 189 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,1,0,0,0|0,0,2]=4 192 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,1,0,0,0|1,0,0]=3 194 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,1,0,0,0|0,1,0]=3 197 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,1,0,0,0|0,1,0]=3 198 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,0,1,0,0,0|1,1,0]=4 199 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,0,1,0,0,0|1,1,0]=4 200 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,1,0,0,0|0,1,0]=3 201 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,1,0,0,0|0,1,0]=3 202 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,1,0,0,0|1,0,0]=3 212 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,1,0,0,0|1,1,0]=4 213 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,1,0,0,0|1,1,0]=4 214 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,0,1,0,0,0|2,0,0]=4 215 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,0,1,0,0,0|2,0,0]=4 216 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,0,1,0,0,0|1,1,0]=4 217 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,0,1,0,0,0|1,1,0]=4 218 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,1,0,0,0|2,0,0]=4 228 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,1,0,0,0|1,0,0]=3 229 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,1,0,0,0|1,0,0]=3 232 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,1,0,0,0|1,1,0]=4 233 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,1,0,0,0|1,1,0]=4 234 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,1,0,0,0|1,1,0]=4 235 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,1,0,0,0|1,1,0]=4 236 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,0,1,0,0,0|2,0,0]=4 237 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,0,1,0,0,0|2,0,0]=4 238 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,0,1,0,0,0|1,1,0]=4 239 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,0,1,0,0,0|1,1,0]=4 240 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [1,0,1,0,0,0|1,0,1]=4 241 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,1,0,0,0|1,0,1]=4 242 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,1,0,0,0|2,0,0]=4 243 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,1,0,0,0|2,0,0]=4 244 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,1,0,0,0|2,0,0]=4 245 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,1,0,0,0|2,0,0]=4 247 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|2,0,0]=4 248 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|2,0,0]=4 249 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,1,0,0,0|2,0,0]=4 250 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,1,0,0,0|2,0,0]=4 251 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,1,0,0,0|2,0,0]=4 252 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,1,0,0,0|2,0,0]=4 253 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,1,0,0,0|1,0,0]=3 254 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,1,0,0,0|1,1,0]=4 255 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,1,0,0,0|1,1,0]=4 256 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,1,0,0,0|2,0,0]=4 257 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,1,0,0,0|2,0,0]=4 258 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,1,0,0,0|2,0,0]=4 259 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,1,0,0,0|2,0,0]=4 260 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,1,0,0,0|2,0,0]=4 261 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,1,0,0,0|2,0,0]=4 262 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,1,0,0,0|1,0,0]=3 263 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,1,0,0,0|1,1,0]=4 264 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,1,0,0,0|1,1,0]=4 265 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,1,0,0,0|2,0,0]=4 266 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [1,0,1,0,0,0|2,0,0]=4 267 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,1,0,0,0|2,0,0]=4 268 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,1,0,0,0|2,0,0]=4 269 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,0,1,0,0,0|2,0,0]=4 271 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,1,0,0,0|1,0,0]=3 272 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,1,0,0,0|1,1,0]=4 273 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,1,0,0,0|1,1,0]=4 274 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,1,0,0,0|2,0,0]=4 275 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,1,0,0,0|2,0,0]=4 276 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,1,0,0,0|2,0,0]=4 277 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,1,0,0,0|1,0,0]=3 278 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,1,0,0,0|1,0,0]=3 279 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,1,0,0,0|1,0,0]=3 280 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,1,0,0,0|1,1,0]=4 281 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,1,0,0,0|1,1,0]=4 282 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,1,0,0,0|0,1,0]=3 283 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,1,0,0,0|0,0,2]=4 284 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,1,0,0,0|2,0,0]=4 285 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,1,0,0,0|0,0,2]=4 286 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,1,0,0,0|2,0,0]=4 287 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,1,0,0,0|0,0,2]=4 288 B8R0.1 C#CCC(C)OCCO 34a_100000685586_100000211926 [0,1,1,0,0,0|2,0,0]=4 289 B8R0.1 C#CCC(C)OCCO 7a_100000685586_100000211926 [0,1,1,0,0,0|2,0,0]=4 290 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,1,0,0,0|2,0,0]=4 291 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,1,0,0,0|2,0,0]=4 292 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,1,1,0,0,0|2,0,0]=4 293 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,1,1,0,0,0|2,0,0]=4 294 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,1,1,0,0,0|2,0,0]=4 295 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,1,1,0,0,0|2,0,0]=4 296 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,1,1,0,0,0|2,0,0]=4 297 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,1,0,0,0|1,1,0]=4 298 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,1,0,0,0|1,1,0]=4 299 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,1,0,0,0|2,0,0]=4 300 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,1,0,0,0|2,0,0]=4 301 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,1,0,0,0|2,0,0]=4 302 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,1,0,0,0|2,0,0]=4 303 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,1,0,0,0|2,0,0]=4 304 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,1,1,0,0,0|2,0,0]=4 305 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,1,1,0,0,0|2,0,0]=4 306 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,1,1,0,0,0|2,0,0]=4 307 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,1,1,0,0,0|2,0,0]=4 308 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,1,1,0,0,0|2,0,0]=4 309 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,1,1,0,0,0|2,0,0]=4 310 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,1,1,0,0,0|2,0,0]=4 311 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,1,1,0,0,0|1,0,0]=3 312 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,1,1,0,0,0|1,1,0]=4 313 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,1,1,0,0,0|1,1,0]=4 314 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,1,1,0,0,0|2,0,0]=4 315 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,1,1,0,0,0|2,0,0]=4 316 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,1,1,0,0,0|2,0,0]=4 317 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,1,1,0,0,0|2,0,0]=4 318 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,1,1,0,0,0|2,0,0]=4 319 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,1,1,0,0,0|1,1,0]=4 320 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,1,1,0,0,0|1,1,0]=4 321 B8R0.1 COCC(N)COCF 34a_100000724102_100015361967 [0,1,1,0,0,0|2,0,0]=4 322 B8R0.1 COCC(O)CNCF 34a_100000756049_100015361967 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,1,1,0,0,0|1,1,0]=4 324 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,1,1,0,0,0|1,1,0]=4 325 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,1,1,0,0,0|2,0,0]=4 326 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,1,1,0,0,0|2,0,0]=4 327 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,1,1,0,0,0|1,0,0]=3 328 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,1,1,0,0,0|2,0,0]=4 329 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,1,1,0,0,0|2,0,0]=4 330 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,1,1,0,0,0|2,0,0]=4 331 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,1,1,0,0,0|2,0,0]=4 332 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,1,1,0,0,0|2,0,0]=4 333 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,1,0,0,0|2,0,0]=4 334 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,1,0,0,0|2,0,0]=4 335 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,1,1,0,0,0|2,0,0]=4 336 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,1,0,0,0|2,0,0]=4 337 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,1,0,0,0|1,0,0]=3 338 B8R0.6 C#CCCOC(C)CO 34a_100011215631_100012180447 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,1,1,0,0,0|2,0,0]=4 340 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,1,1,0,0,0|2,0,0]=4 341 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,1,1,0,0,0|2,0,0]=4 342 B8R0.6 C#CCOCC(O)CC 34a_100000210247_100011218378 [0,1,1,0,0,0|2,0,0]=4 343 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [0,1,1,0,0,0|1,0,0]=3 344 B8R0.6 C#CCOC[C@@H](C)CO 34a_100000210247_100000059175 [0,1,1,0,0,0|2,0,0]=4 345 B8R0.6 C#CCOC[C@@H](O)CF 34a_100000210247_100015614560 [0,1,1,0,0,0|2,0,0]=4 346 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [0,1,1,0,0,0|1,0,0]=3 347 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,1,1,0,0,0|1,1,0]=4 348 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,1,1,0,0,0|1,1,0]=4 349 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,1,1,0,0,0|2,0,0]=4 351 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,1,1,0,0,0|2,0,0]=4 353 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,1,1,0,0,0|1,0,0]=3 355 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,1,1,0,0,0|2,0,0]=4 356 B8R0.6 C=CCOC[C@@H](O)CF 34a_200000210373_100015614560 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,1,1,0,0,0|1,0,0]=3 358 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,1,1,0,0,0|1,1,0]=4 359 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,1,1,0,0,0|1,1,0]=4 360 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,1,1,0,0,0|1,1,0]=4 361 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,1,1,0,0,0|1,1,0]=4 362 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,1,1,0,0,0|2,0,0]=4 363 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,1,1,0,0,0|2,0,0]=4 364 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,1,1,0,0,0|2,0,0]=4 365 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,1,1,0,0,0|2,0,0]=4 366 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,1,1,0,0,0|2,0,0]=4 367 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,1,1,0,0,0|2,0,0]=4 368 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,1,1,0,0,0|2,0,0]=4 369 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,1,1,0,0,0|2,0,0]=4 370 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,1,1,0,0,0|2,0,0]=4 371 B8R0.6 CC(CO)OCCON 34a_100000700252_100012180447 [0,1,1,0,0,0|1,0,0]=3 372 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,1,0,0,0|1,1,0]=4 373 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,1,0,0,0|2,0,0]=4 374 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,1,1,0,0,0|2,0,0]=4 376 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,1,1,0,0,0|2,0,0]=4 377 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,1,0,0,0|2,0,0]=4 379 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,1,1,0,0,0|2,0,0]=4 383 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,1,0,0,0|1,1,0]=4 384 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,1,0,0,0|1,1,0]=4 385 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,1,1,0,0,0|1,1,0]=4 386 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,1,1,0,0,0|1,1,0]=4 387 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,1,1,0,0,0|2,0,0]=4 388 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,1,1,0,0,0|2,0,0]=4 389 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,1,0,0,0|2,0,0]=4 390 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,1,0,0,0|2,0,0]=4 391 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,1,0,0,0|1,0,0]=3 392 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,1,0,0,0|2,0,0]=4 393 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,1,1,0,0,0|2,0,0]=4 394 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,1,0,0,0|1,0,0]=3 395 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,1,0,0,0|1,1,0]=4 396 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,1,0,0,0|1,1,0]=4 397 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,1,0,0,0|1,1,0]=4 398 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,1,0,0,0|1,1,0]=4 399 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,1,1,0,0,0|2,0,0]=4 400 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,1,1,0,0,0|2,0,0]=4 401 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,1,1,0,0,0|2,0,0]=4 402 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,1,0,0,0|2,0,0]=4 403 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,1,1,0,0,0|2,0,0]=4 405 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,1,1,0,0,0|2,0,0]=4 407 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,1,1,0,0,0|1,0,0]=3 409 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,1,1,0,0,0|1,1,0]=4 410 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,1,1,0,0,0|1,1,0]=4 411 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,1,1,0,0,0|1,1,0]=4 412 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,1,1,0,0,0|1,0,0]=3 413 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,1,1,0,0,0|0,1,0]=3 414 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,1,1,0,0,0|0,1,0]=3 415 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,1,1,0,0,0|1,1,0]=4 416 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,1,1,0,0,0|1,1,0]=4 417 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,1,1,0,0,0|1,1,0]=4 418 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,1,1,0,0,0|1,1,0]=4 419 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,1,1,0,0,0|0,1,0]=3 420 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,1,1,0,0,0|0,1,0]=3 421 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,1,1,0,0,0|1,1,0]=4 422 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,1,1,0,0,0|1,1,0]=4 423 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,1,1,0,0,0|1,1,0]=4 424 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,1,1,0,0,0|0,2,0]=4 425 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,1,1,0,0,0|0,2,0]=4 426 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,1,1,0,0,0|0,2,0]=4 427 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,1,1,0,0,0|0,2,0]=4 428 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,1,1,0,0,0|2,0,0]=4 429 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,1,1,0,0,0|2,0,0]=4 430 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,1,1,0,0,0|2,0,0]=4 431 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,1,0,0,0|1,1,0]=4 433 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,1,0,0,0|1,1,0]=4 434 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,1,1,0,0,0|2,0,0]=4 435 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,1,0,0,0|1,1,0]=4 436 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,1,0,0,0|1,1,0]=4 437 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,1,1,0,0,0|2,0,0]=4 438 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,1,1,0,0,0|1,1,0]=4 439 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,1,1,0,0,0|1,1,0]=4 440 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,1,1,0,0,0|1,1,0]=4 441 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,1,1,0,0,0|1,1,0]=4 442 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,1,1,0,0,0|1,0,0]=3 443 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,1,1,0,0,0|2,0,0]=4 444 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,1,1,0,0,0|1,0,0]=3 445 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,1,1,0,0,0|2,0,0]=4 446 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,1,0,0,0|1,0,1]=4 447 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,1,0,0,0|0,1,1]=4 448 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,1,0,0,0|0,1,1]=4 449 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,1,0,0,0|0,1,1]=4 450 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,1,0,0,0|0,1,1]=4 451 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,1,1,0,0,0|2,0,0]=4 452 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,1,1,0,0,0|1,0,0]=3 453 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,1,1,0,0,0|1,1,0]=4 454 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,1,1,0,0,0|1,1,0]=4 455 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,1,1,0,0,0|1,0,0]=3 456 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,1,1,0,0,0|1,0,0]=3 457 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,1,1,0,0,0|2,0,0]=4 458 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,1,1,0,0,0|2,0,0]=4 459 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,1,1,0,0,0|2,0,0]=4 460 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,1,1,0,0,0|1,0,0]=3 461 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,1,1,0,0,0|1,0,0]=3 462 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,1,1,0,0,0|1,0,0]=3 463 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,1,1,0,0,0|2,0,0]=4 464 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,1,0,0,0|0,1,0]=3 465 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,1,0,0,0|0,1,0]=3 466 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,1,1,0,0,0|1,1,0]=4 467 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,1,1,0,0,0|1,1,0]=4 468 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,1,0,0,0|0,1,0]=3 469 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,1,0,0,0|0,1,0]=3 470 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,1,1,0,0,0|1,0,0]=3 473 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,1,1,0,0,0|1,1,0]=4 474 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,1,1,0,0,0|1,1,0]=4 475 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,1,1,0,0,0|2,0,0]=4 478 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,1,1,0,0,0|2,0,0]=4 479 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,1,1,0,0,0|2,0,0]=4 480 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,1,1,0,0,0|2,0,0]=4 482 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,1,1,0,0,0|2,0,0]=4 483 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,1,1,0,0,0|2,0,0]=4 484 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,1,0,0,0|1,0,0]=3 485 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,1,1,0,0,0|2,0,0]=4 486 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,1,1,0,0,0|2,0,0]=4 487 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,1,0,0,0|1,0,0]=3 488 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,1,1,0,0,0|1,1,0]=4 489 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,1,1,0,0,0|1,1,0]=4 490 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,1,1,0,0,0|1,1,0]=4 491 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,1,1,0,0,0|1,1,0]=4 492 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,1,0,0,0|2,0,0]=4 494 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,1,0,0,0|2,0,0]=4 495 B8R0.9 CC(CO)OCC(F)F 34a_100000743014_100012180447 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,1,1,0,0,0|2,0,0]=4 498 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,1,0,0,0|1,1,0]=4 499 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,1,1,0,0,0|2,0,0]=4 500 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,1,1,0,0,0|2,0,0]=4 501 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,1,1,0,0,0|2,0,0]=4 502 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,1,1,0,0,0|2,0,0]=4 503 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,1,0,0,0|2,0,0]=4 504 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,1,0,0,0|2,0,0]=4 505 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,1,0,0,0|2,0,0]=4 506 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,1,0,0,0|1,1,0]=4 507 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,1,0,0,0|1,1,0]=4 508 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,1,0,0,0|1,1,0]=4 509 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,1,0,0,0|2,0,0]=4 510 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,1,0,0,0|2,0,0]=4 512 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,1,1,0,0,0|2,0,0]=4 513 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,1,0,0,0|1,1,0]=4 514 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,1,0,0,0|1,1,0]=4 515 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,1,1,0,0,0|2,0,0]=4 516 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,1,1,0,0,0|2,0,0]=4 517 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,1,1,0,0,0|2,0,0]=4 519 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,1,1,0,0,0|2,0,0]=4 520 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,1,1,0,0,0|2,0,0]=4 521 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,1,1,0,0,0|2,0,0]=4 522 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [0,1,1,0,0,0|2,0,0]=4 523 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [0,1,1,0,0,0|2,0,0]=4 524 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,1,1,0,0,0|2,0,0]=4 525 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,1,1,0,0,0|2,0,0]=4 526 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,1,1,0,0,0|2,0,0]=4 527 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [0,1,1,0,0,0|2,0,0]=4 528 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [0,1,1,0,0,0|2,0,0]=4 529 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,1,1,0,0,0|2,0,0]=4 530 B8R0.11 NCC(CN)OCCO 34a_100000031598_100000211926 [0,1,1,0,0,0|2,0,0]=4 531 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,1,1,0,0,0|2,0,0]=4 532 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,1,1,0,0,0|1,0,0]=3 533 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,1,1,0,0,0|2,0,0]=4 534 B8R0.11 OCCOC(CF)CF 34a_100000032261_100000211926 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.11 OCCOC(CF)CF 7a_100000032261_100000211926 [0,1,1,0,0,0|2,0,0]=4 536 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,1,1,0,0,0|2,0,0]=4 537 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,1,1,0,0,0|2,0,0]=4 538 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,1,1,0,0,0|2,0,0]=4 539 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,1,1,0,0,0|2,0,0]=4 540 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,1,1,0,0,0|2,0,0]=4 541 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,1,1,0,0,0|2,0,0]=4 542 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,1,1,0,0,0|1,1,0]=4 543 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,1,0,0,0|2,0,0]=4 544 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,1,0,0,0|2,0,0]=4 545 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,1,1,0,0,0|2,0,0]=4 546 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,1,1,0,0,0|2,0,0]=4 547 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,1,1,0,0,0|2,0,0]=4 548 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,1,1,0,0,0|2,0,0]=4 549 B8R0.19 CN(CF)CC(O)CO 269982a_100011216503_100015361967 [0,1,1,0,0,0|2,0,0]=4 550 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,1,0,0,0|2,0,0]=4 551 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,1,1,0,0,0|1,1,0]=4 552 B8R0.25 CC(C)(CCl)OCCO 7a_100000764493_100000211926 [0,1,1,0,0,0|2,0,0]=4 553 B8R0.25 CC(C)(CO)NCCO 2230a_100000210608_100000211926 [0,1,1,0,0,0|2,0,0]=4 554 B8R0.25 CCC(C)(C)OCCO 7a_100000210230_100000211926 [0,1,1,0,0,0|2,0,0]=4 555 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [0,1,1,0,0,0|2,0,0]=4 556 B8R0.25 OCCSC(F)(F)CO 62a_100000211926_100011217949 [0,1,1,0,0,0|1,1,0]=4 557 B8R0.25 OCCSC(F)(F)CO 62a_100011217949_100000211926 [0,1,1,0,0,0|1,1,0]=4 558 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,1,0,0,0|1,0,0]=3 559 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,1,0,0,0|1,0,0]=3 560 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,1,1,0,0,0|0,0,2]=4 561 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [1,1,0,0,0,0|2,0,0]=4 563 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,1,0,0,0,0|2,0,0]=4 565 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [1,1,0,0,0,0|2,0,0]=4 566 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,1,0,0,0,0|2,0,0]=4 567 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,1,0,0,0,0|2,0,0]=4 568 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,1,0,0,0,0|2,0,0]=4 569 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [1,1,0,0,0,0|1,0,0]=3 570 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [1,1,0,0,0,0|1,0,0]=3 571 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [1,1,0,0,0,0|1,0,0]=3 572 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,1,0,0,0,0|2,0,0]=4 573 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,1,0,0,0,0|2,0,0]=4 574 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,1,0,0,0,0|0,0,2]=4 575 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [1,1,0,0,0,0|0,0,0]=2 576 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,1,0,0,0,0|2,0,0]=4 577 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,1,0,0,0,0|2,0,0]=4 578 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,1,0,0,0,0|2,0,0]=4 579 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [1,1,0,0,0,0|1,0,0]=3 580 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [1,1,0,0,0,0|0,1,0]=3 581 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [1,1,0,0,0,0|0,1,0]=3 582 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,1,0,0,0,0|1,1,0]=4 583 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,1,0,0,0,0|1,1,0]=4 584 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,1,0,0,0,0|2,0,0]=4 585 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [1,1,0,0,0,0|1,0,0]=3 586 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,1,0,0,0,0|2,0,0]=4 587 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,1,0,0,0,0|2,0,0]=4 588 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [1,1,0,0,0,0|1,0,0]=3 589 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [1,1,0,0,0,0|0,1,0]=3 590 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [1,1,0,0,0,0|0,1,0]=3 591 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,1,0,0,0,0|1,1,0]=4 592 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,1,0,0,0,0|1,1,0]=4 593 B8R1.10 BrCCOC1COC1 34a_100000211926_100009818527 [0,0,1,1,0,0|2,0,0]=4 594 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [0,0,1,1,0,0|2,0,0]=4 595 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,0,1,1,0,0|2,0,0]=4 596 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,0,1,1,0,0|2,0,0]=4 597 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [0,0,1,1,0,0|2,0,0]=4 598 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [0,0,1,1,0,0|2,0,0]=4 599 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [0,0,1,1,0,0|2,0,0]=4 600 B8R1.10 FCOCC1COC1 34a_100000060846_100015361967 [0,0,1,1,0,0|2,0,0]=4 601 B8R1.10 NCCOC1COC1 34a_100000210304_100009818527 [0,0,1,1,0,0|2,0,0]=4 602 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [0,0,1,1,0,0|2,0,0]=4 603 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [0,0,1,1,0,0|2,0,0]=4 604 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,0,1,1,0,0|2,0,0]=4 605 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [0,0,1,1,0,0|1,1,0]=4 606 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [0,0,1,1,0,0|1,1,0]=4 607 B8R1.41 CC1(CC1)OCCO 7a_100011725673_100000211926 [0,0,1,1,0,0|2,0,0]=4 608 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [0,0,1,1,0,0|2,0,0]=4 609 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [1,0,0,0,1,0|2,0,0]=4 610 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [1,0,0,0,1,0|2,0,0]=4 611 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,0,1,0,0,1|0,0,2]=4 612 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [1,0,0,0,0,1|2,0,0]=4 613 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [1,0,0,0,0,1|2,0,0]=4 614 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [1,0,0,0,0,1|2,0,0]=4 615 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [1,0,0,0,0,1|2,0,0]=4