0 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [1,0,0,0,0,0|3,0,0]=4 1 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [1,0,0,0,0,0|3,0,0]=4 2 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,0,1,0,0,0|1,0,2]=4 23 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,0,1,0,0,0|1,0,2]=4 24 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,0,1,0,0,0|1,0,2]=4 25 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,0,1,0,0,0|1,0,2]=4 26 B8R0.6 C#CCNCC(C)CO 34a_100000744482_100000184674 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.6 C#CCNCC(O)CC 2230a_100011218483_100000038162 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.6 C#CCNCC(O)CC 34a_100000212058_100011218378 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,0,1,0,0,0|1,0,1]=3 30 B8R0.6 C#CCNC[C@@H](C)CO 34a_100000212058_100000059175 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.6 C#CCNC[C@@H](F)CO 34a_100015665980_100000184674 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.6 C#CCNC[C@@H](O)CF 34a_100000212058_100015614560 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,0,1,0,0,0|1,0,1]=3 34 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,0,1,0,0,0|1,0,1]=3 35 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,0,1,0,0,0|1,0,1]=3 41 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,0,1,0,0,0|1,0,1]=3 42 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,0,1,0,0,0|2,0,1]=4 45 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,0,1,0,0,0|1,0,1]=3 48 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.6 C=CCNC[C@@H](F)CO 34a_100015665980_100015514636 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.6 C=CCNC[C@@H](O)CF 2230a_100020586998_100015614560 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,0,1,0,0,0|1,0,1]=3 52 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,0,1,0,0,0|1,0,1]=3 53 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,0,1,0,0,0|2,0,1]=4 54 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,0,1,0,0,0|2,0,1]=4 59 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [0,0,1,0,0,0|2,0,1]=4 60 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,0,1,0,0,0|1,0,2]=4 62 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,0,1,0,0,0|2,0,0]=3 63 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,0,1,0,0,0|1,0,0]=2 64 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,0,1,0,0,0|3,0,0]=4 65 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.6 CCC(O)CNCC#N 2230a_100011218483_100011215382 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,0,1,0,0,0|1,0,2]=4 75 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,0,1,0,0,0|2,0,0]=3 76 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,0,1,0,0,0|1,0,0]=2 78 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,0,1,0,0,0|1,0,0]=2 79 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,0,1,0,0,0|1,0,0]=2 80 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,0,1,0,0,0|2,0,0]=3 91 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,0,1,0,0,0|1,0,0]=2 94 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,0,1,0,0,0|2,0,0]=3 103 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,0,1,0,0,0|3,0,0]=4 105 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,0,1,0,0,0|3,0,0]=4 106 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,0,1,0,0,0|2,0,0]=3 109 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,0,1,0,0,0|3,0,0]=4 110 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,0,1,0,0,0|2,0,0]=3 111 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,0,1,0,0,0|2,0,0]=3 112 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,0,1,0,0,0|3,0,0]=4 115 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,0,1,0,0,0|2,0,0]=3 116 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,0,1,0,0,0|2,0,0]=3 124 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,0,1,0,0,0|3,0,0]=4 125 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,0,1,0,0,0|3,0,0]=4 127 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,0,1,0,0,0|2,0,0]=3 129 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,0,1,0,0,0|1,0,0]=2 130 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,0,1,0,0,0|1,0,0]=2 131 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,0,1,0,0,0|3,0,0]=4 133 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,0,1,0,0,0|2,0,0]=3 136 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,0,1,0,0,0|2,0,0]=3 137 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,0,1,0,0,0|3,0,0]=4 140 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,0,1,0,0,0|1,0,1]=3 141 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,0,1,0,0,0|2,0,1]=4 144 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,0,1,0,0,0|2,0,1]=4 145 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,0,1,0,0,0|2,0,0]=3 146 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,0,1,0,0,0|3,0,0]=4 147 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,1,0,0,0|1,0,2]=4 150 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,0,1,0,0,0|1,0,2]=4 151 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,0,1,0,0,0|1,0,2]=4 152 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,0,1,0,0,0|0,0,2]=3 153 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,0,1,0,0,0|1,0,2]=4 154 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,0,1,0,0,0|1,0,2]=4 155 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,0,1,0,0,0|1,0,2]=4 156 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,0,1,0,0,0|1,0,2]=4 157 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,0,1,0,0,0|1,0,0]=2 158 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,0,1,0,0,0|2,0,0]=3 159 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,0,1,0,0,0|2,0,0]=3 160 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,0,1,0,0,0|2,0,0]=3 161 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,0,1,0,0,0|0,0,0]=1 162 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,0,1,0,0,0|0,0,0]=1 163 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,0,1,0,0,0|1,0,0]=2 164 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,0,1,0,0,0|1,0,0]=2 165 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,0,1,0,0,0|1,0,0]=2 166 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,0,1,0,0,0|0,0,0]=1 167 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,0,1,0,0,0|0,0,0]=1 168 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,0,1,0,0,0|0,0,0]=1 169 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,0,1,0,0,0|3,0,0]=4 170 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,0,1,0,0,0|1,0,0]=2 171 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,0,1,0,0,0|1,0,0]=2 172 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,0,1,0,0,0|1,0,0]=2 175 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,0,1,0,0,0|1,0,0]=2 176 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,0,1,0,0,0|1,0,0]=2 177 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,0,1,0,0,0|2,0,0]=3 178 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,0,1,0,0,0|1,0,0]=2 179 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,0,1,0,0,0|2,0,0]=3 180 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,0,1,0,0,0|2,0,0]=3 181 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,0,1,0,0,0|2,0,0]=3 182 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,0,1,0,0,0|2,0,0]=3 183 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,0,1,0,0,0|3,0,0]=4 185 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,0,1,0,0,0|3,0,0]=4 186 B8R0.11 C#CCNC(CO)CO 2230a_100000759517_100000038162 [0,0,1,0,0,0|1,0,1]=3 187 B8R0.11 C#CCN[C@@H](CC)CO 2230a_100000709445_100000038162 [0,0,1,0,0,0|2,0,1]=4 188 B8R0.11 C=CCNC(CO)CO 2230a_100000759517_100000210623 [0,0,1,0,0,0|1,0,1]=3 189 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,0,1,0,0,0|2,0,1]=4 190 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,0,1,0,0,0|2,0,1]=4 192 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [0,0,1,0,0,0|2,0,1]=4 193 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [0,0,1,0,0,0|2,0,1]=4 194 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,0,1,0,0,0|1,0,1]=3 195 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,0,1,0,0,0|1,0,1]=3 196 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [0,0,1,0,0,0|3,0,0]=4 197 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,0,1,0,0,0|2,0,0]=3 198 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,0,1,0,0,0|2,0,0]=3 199 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,0,1,0,0,0|3,0,0]=4 200 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,0,1,0,0,0|3,0,0]=4 201 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,0,1,0,0,0|3,0,0]=4 202 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,0,1,0,0,0|3,0,0]=4 203 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,0,1,0,0,0|3,0,0]=4 204 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,0,1,0,0,0|1,0,0]=2 205 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,0,1,0,0,0|2,0,0]=3 206 B8R0.11 CC[C@@H](CO)NCC#N 2230a_100000709445_100011215382 [0,0,1,0,0,0|2,0,1]=4 207 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,0,1,0,0,0|1,0,2]=4 208 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,0,1,0,0,0|2,0,0]=3 209 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,0,1,0,0,0|1,0,0]=2 210 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [0,0,1,0,0,0|3,0,0]=4 212 B8R0.11 COCNC(CO)CO 2230a_100000759517_100000766300 [0,0,1,0,0,0|2,0,0]=3 213 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [0,0,1,0,0,0|2,0,0]=3 214 B8R0.11 N#CCNC(CO)CO 2230a_100000759517_100011215382 [0,0,1,0,0,0|1,0,1]=3 215 B8R0.11 NCC(CN)OCCO 34a_100000031598_100000211926 [0,0,1,0,0,0|3,0,0]=4 216 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,0,1,0,0,0|0,0,2]=3 217 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,0,1,0,0,0|1,0,0]=2 218 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,0,1,0,0,0|0,0,0]=1 219 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,0,1,0,0,0|3,0,0]=4 220 B8R0.11 OCCOC(CF)CF 34a_100000032261_100000211926 [0,0,1,0,0,0|3,0,0]=4 221 B8R0.11 OCCOC(CF)CF 7a_100000032261_100000211926 [0,0,1,0,0,0|3,0,0]=4 222 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,0,1,0,0,0|3,0,0]=4 223 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,0,1,0,0,0|3,0,0]=4 224 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [0,0,1,0,0,0|2,0,0]=3 225 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [0,0,1,0,0,0|2,0,0]=3 226 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,0,0,0,1,0|3,0,0]=4 227 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,0,0,0,1,0|3,0,0]=4 228 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,0,0,0,1,0|3,0,0]=4 229 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210202 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000204670 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.176 O[C@@H]1CCN(C[C@@H]1O)CF 269982a_100000690696_100015361967 [0,0,0,0,0,1|3,0,0]=4 232 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,1,0,0,0|0,0,2]=4 234 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,1,0,0,0|0,0,2]=4 235 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,0,1,0,0,0|0,0,2]=4 238 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [1,0,1,0,0,0|1,0,1]=4 243 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [1,0,1,0,0,0|1,0,1]=4 245 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [1,0,1,0,0,0|1,0,1]=4 246 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [1,0,1,0,0,0|1,0,1]=4 247 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [1,0,1,0,0,0|1,0,1]=4 248 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,0,1,0,0,0|2,0,0]=4 249 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [1,0,1,0,0,0|2,0,0]=4 252 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,0,1,0,0,0|1,0,0]=3 253 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,0,1,0,0,0|0,0,0]=2 254 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,0,1,0,0,0|0,0,0]=2 255 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,0,1,0,0,0|2,0,0]=4 257 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,0,1,0,0,0|1,0,0]=3 259 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,0,1,0,0,0|1,0,0]=3 262 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,0,1,0,0,0|1,0,0]=3 263 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,0,1,0,0,0|1,0,0]=3 264 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,1,0,0,0|1,0,0]=3 269 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,1,0,0,0|1,0,0]=3 277 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,1,0,0,0|1,0,0]=3 278 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,1,0,0,0|0,0,0]=2 280 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,1,0,0,0|1,0,0]=3 282 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,0,1,0,0,0|1,0,0]=3 283 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,0,1,0,0,0|1,0,0]=3 284 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,1,0,0,0|0,0,0]=2 285 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,1,0,0,0|0,0,0]=2 286 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,1,0,0,0|1,0,0]=3 288 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,0,1,0,0,0|2,0,0]=4 290 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,1,0,0,0|1,0,0]=3 291 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,0,1,0,0,0|1,0,0]=3 294 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,0,1,0,0,0|1,0,0]=3 295 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,0,1,0,0,0|1,0,0]=3 300 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,0,1,0,0,0|1,0,0]=3 301 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [1,0,1,0,0,0|1,0,1]=4 304 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,0,1,0,0,0|0,0,2]=4 305 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,0,1,0,0,0|1,0,0]=3 306 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,0,1,0,0,0|0,0,0]=2 307 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,0,1,0,0,0|2,0,0]=4 309 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,0,1,0,0,0|1,0,0]=3 310 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,0,1,0,0,0|1,0,0]=3 311 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,1,0,0,0|0,0,2]=4 312 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,1,0,0,0|0,0,2]=4 313 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,1,0,0,0|0,0,2]=4 314 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [1,0,1,0,0,0|2,0,0]=4 315 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [1,0,1,0,0,0|2,0,0]=4 318 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [1,0,1,0,0,0|2,0,0]=4 319 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [1,0,1,0,0,0|1,0,1]=4 322 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,1,0,0,0|1,0,1]=4 326 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,1,0,0,0|2,0,0]=4 328 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,1,0,0,0|2,0,0]=4 329 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,1,0,0,0|2,0,0]=4 330 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,1,0,0,0|2,0,0]=4 331 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,1,0,0,0|2,0,0]=4 332 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,1,0,0,0|1,0,0]=3 333 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,1,0,0,0|1,0,0]=3 334 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,1,0,0,0|1,0,0]=3 335 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,1,0,0,0|1,0,0]=3 336 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,1,0,0,0|2,0,0]=4 337 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,1,0,0,0|2,0,0]=4 338 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,1,0,0,0|2,0,0]=4 339 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,1,0,0,0|2,0,0]=4 341 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,1,0,0,0|2,0,0]=4 342 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,1,0,0,0|2,0,0]=4 343 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,1,0,0,0|2,0,0]=4 344 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,1,0,0,0|2,0,0]=4 345 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,1,0,0,0|2,0,0]=4 347 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,1,0,0,0|2,0,0]=4 348 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,1,0,0,0|2,0,0]=4 349 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,1,0,0,0|2,0,0]=4 350 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,1,0,0,0|2,0,0]=4 351 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [1,0,1,0,0,0|2,0,0]=4 352 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [1,0,1,0,0,0|2,0,0]=4 354 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [1,0,1,0,0,0|1,0,1]=4 355 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,1,0,0,0|2,0,0]=4 357 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,1,0,0,0|1,0,0]=3 358 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,1,0,0,0|0,0,0]=2 359 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,1,0,0,0|0,0,0]=2 360 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,1,0,0,0|2,0,0]=4 361 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,1,0,0,0|2,0,0]=4 362 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,1,0,0,0|2,0,0]=4 363 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,1,0,0,0|1,0,0]=3 364 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,1,0,0,0|1,0,0]=3 365 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,1,0,0,0|1,0,0]=3 366 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,1,0,0,0|1,0,0]=3 367 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,1,0,0,0|1,0,0]=3 368 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,1,0,0,0|1,0,0]=3 369 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,1,0,0,0|2,0,0]=4 370 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,1,0,0,0|2,0,0]=4 371 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,1,0,0,0|2,0,0]=4 372 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,1,0,0,0|2,0,0]=4 373 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,1,0,0,0|2,0,0]=4 374 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [1,0,1,0,0,0|1,0,1]=4 375 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [1,0,1,0,0,0|1,0,1]=4 376 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [1,0,1,0,0,0|1,0,1]=4 377 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [1,0,1,0,0,0|1,0,1]=4 378 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,1,0,0,0|1,0,1]=4 379 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,1,0,0,0|1,0,1]=4 380 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,1,0,0,0|1,0,1]=4 381 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,1,0,0,0|1,0,1]=4 382 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,1,0,0,0|1,0,1]=4 383 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,1,0,0,0|1,0,1]=4 384 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,0,1,0,0,0|2,0,0]=4 385 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,1,0,0,0|2,0,0]=4 386 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,1,0,0,0|2,0,0]=4 387 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,1,0,0,0|2,0,0]=4 388 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,1,0,0,0|1,0,0]=3 389 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,1,0,0,0|1,0,0]=3 390 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,1,0,0,0|1,0,0]=3 391 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,1,0,0,0|1,0,0]=3 392 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,1,0,0,0|1,0,0]=3 393 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,1,0,0,0|2,0,0]=4 394 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,1,0,0,0|2,0,0]=4 395 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,1,0,0,0|2,0,0]=4 396 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,0,1,0,0,0|2,0,0]=4 397 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [1,0,1,0,0,0|1,0,1]=4 398 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,1,0,0,0|0,0,2]=4 399 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,1,0,0,0|0,0,2]=4 400 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,1,0,0,0|1,0,0]=3 401 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,1,0,0,0|1,0,0]=3 402 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,1,0,0,0|1,0,0]=3 403 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,1,0,0,0|0,0,0]=2 404 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,1,0,0,0|0,0,0]=2 405 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,1,0,0,0|0,0,0]=2 406 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,1,0,0,0|0,0,0]=2 407 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,1,0,0,0|2,0,0]=4 408 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,1,0,0,0|2,0,0]=4 409 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,1,0,0,0|2,0,0]=4 410 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,1,0,0,0|2,0,0]=4 411 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,1,0,0,0|1,0,0]=3 412 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,1,0,0,0|1,0,0]=3 413 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,1,0,0,0|2,0,0]=4 414 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,1,0,0,0|2,0,0]=4 415 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,1,0,0,0|2,0,0]=4 416 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,1,0,0,0|1,0,0]=3 417 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,1,0,0,0|1,0,0]=3 418 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,1,0,0,0|2,0,0]=4 419 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,1,0,0,0|2,0,0]=4 420 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,1,0,0,0|2,0,0]=4 421 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,1,0,0,0|2,0,0]=4 422 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,1,0,0,0|2,0,0]=4 423 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,1,0,0,0|2,0,0]=4 424 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,1,0,0,0|2,0,0]=4 426 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,1,0,0,0|2,0,0]=4 427 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,0,1,0,0,0|2,0,0]=4 428 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,0,1,0,0,0|2,0,0]=4 429 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,1,0,0,0|1,0,0]=3 430 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,1,0,0,0|0,0,0]=2 431 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,1,0,0,0|0,0,0]=2 432 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,1,0,0,0|2,0,0]=4 433 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,1,0,0,0|2,0,0]=4 434 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,1,0,0,0|2,0,0]=4 435 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,1,0,0,0|2,0,0]=4 436 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,1,0,0,0|1,0,0]=3 437 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,1,0,0,0|1,0,0]=3 438 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|0,0,2]=4 439 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [1,0,1,0,0,0|2,0,0]=4 440 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [1,0,1,0,0,0|2,0,0]=4 441 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [1,0,1,0,0,0|2,0,0]=4 442 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [1,0,1,0,0,0|1,0,1]=4 443 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [1,0,1,0,0,0|1,0,1]=4 444 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [1,0,1,0,0,0|1,0,1]=4 445 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [1,0,1,0,0,0|1,0,1]=4 446 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,1,0,0,0|2,0,0]=4 447 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,1,0,0,0|2,0,0]=4 448 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,1,0,0,0|2,0,0]=4 449 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,1,0,0,0|2,0,0]=4 450 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,0,1,0,0,0|1,0,0]=3 451 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,0,1,0,0,0|1,0,0]=3 452 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,0,1,0,0,0|1,0,0]=3 453 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,0,1,0,0,0|1,0,0]=3 454 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [1,0,1,0,0,0|2,0,0]=4 455 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [1,0,1,0,0,0|2,0,0]=4 456 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [1,0,1,0,0,0|0,0,0]=2 457 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,0,1,0,0,0|1,0,0]=3 458 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [1,0,1,0,0,0|2,0,0]=4 459 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [1,0,1,0,0,0|2,0,0]=4 460 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [1,0,1,0,0,0|2,0,0]=4 461 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [1,0,1,0,0,0|2,0,0]=4 462 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [1,0,1,0,0,0|1,0,0]=3 463 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [1,0,1,0,0,0|1,0,0]=3 464 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [1,0,1,0,0,0|2,0,0]=4 465 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,0,1,0,0,0|1,0,0]=3 466 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,0,1,0,0,0|1,0,0]=3 467 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,0,1,0,0,0|1,0,0]=3 468 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,0,1,0,0,0|1,0,0]=3 469 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,0,1,0,0,0|0,0,2]=4 470 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [1,0,1,0,0,0|1,0,0]=3 471 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [1,0,1,0,0,0|1,0,0]=3 472 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [1,0,1,0,0,0|0,0,0]=2 473 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [1,0,1,0,0,0|0,0,0]=2 474 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [1,0,1,0,0,0|0,0,0]=2 475 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [1,0,1,0,0,0|0,0,0]=2 476 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,0,1,0,0,0|0,0,2]=4 477 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [2,0,0,0,0,0|2,0,0]=4 478 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [2,0,0,0,0,0|2,0,0]=4 479 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [2,0,0,0,0,0|2,0,0]=4 480 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [2,0,0,0,0,0|2,0,0]=4 481 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [0,1,1,0,0,0|1,0,1]=4 482 B9R0.1 C=C(F)CNC[C@H](O)CO 2230a_100020644852_100009893438 [0,1,1,0,0,0|1,0,1]=4 483 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,1,1,0,0,0|1,0,1]=4 484 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,1,1,0,0,0|1,0,1]=4 485 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [0,1,1,0,0,0|2,0,0]=4 486 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [0,1,1,0,0,0|2,0,0]=4 487 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,1,1,0,0,0|2,0,0]=4 488 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,1,0,0,0|1,0,0]=3 489 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,1,0,0,0|1,0,0]=3 490 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,1,1,0,0,0|2,0,0]=4 491 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,1,1,0,0,0|2,0,0]=4 492 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [0,1,1,0,0,0|2,0,0]=4 493 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [0,1,1,0,0,0|2,0,0]=4 494 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,1,1,0,0,0|2,0,0]=4 495 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,1,1,0,0,0|2,0,0]=4 496 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,1,0,0,0|1,0,0]=3 497 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,1,0,0,0|1,0,0]=3 498 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,1,0,0,0|1,0,0]=3 499 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,1,0,0,0|2,0,0]=4 500 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,1,0,0,0|2,0,0]=4 501 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,1,0,0,0|2,0,0]=4 502 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,1,0,0,0|2,0,0]=4 503 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,1,0,0,0|2,0,0]=4 504 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,1,0,0,0|2,0,0]=4 505 B9R0.1 CC(CO)CNCC(F)F 34a_100000744482_100011934356 [0,1,1,0,0,0|2,0,0]=4 506 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,1,1,0,0,0|1,0,0]=3 507 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [0,1,1,0,0,0|2,0,0]=4 508 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [0,1,1,0,0,0|2,0,0]=4 509 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,1,1,0,0,0|1,0,0]=3 510 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,1,1,0,0,0|0,0,0]=2 511 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,1,1,0,0,0|0,0,0]=2 512 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,1,1,0,0,0|1,0,0]=3 513 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,1,0,0,0|1,0,0]=3 514 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,1,1,0,0,0|1,0,0]=3 515 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [0,1,1,0,0,0|1,0,0]=3 516 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [0,1,1,0,0,0|1,0,0]=3 517 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,1,1,0,0,0|0,0,0]=2 518 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,1,0,0,0|0,0,0]=2 519 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,1,1,0,0,0|0,0,0]=2 520 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,1,1,0,0,0|1,0,0]=3 521 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,1,1,0,0,0|1,0,0]=3 522 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,1,1,0,0,0|2,0,0]=4 523 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,1,1,0,0,0|2,0,0]=4 524 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,1,1,0,0,0|2,0,0]=4 525 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,1,1,0,0,0|2,0,0]=4 526 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,1,1,0,0,0|1,0,0]=3 527 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,1,1,0,0,0|1,0,0]=3 528 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,1,0,0,0|2,0,0]=4 529 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,1,0,0,0|2,0,0]=4 530 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,1,0,0,0|2,0,0]=4 531 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,1,0,0,0|2,0,0]=4 532 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,1,0,0,0|2,0,0]=4 533 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,1,0,0,0|1,0,1]=4 534 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,1,0,0,0|2,0,0]=4 535 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,1,0,0,0|2,0,0]=4 536 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,1,0,0,0|2,0,0]=4 537 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,1,0,0,0|2,0,0]=4 538 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,1,1,0,0,0|1,0,0]=3 539 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,1,1,0,0,0|1,0,0]=3 540 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,1,1,0,0,0|1,0,0]=3 541 B9R0.1 CCC(O)CNCC(F)F 2230a_100011218483_100011934356 [0,1,1,0,0,0|2,0,0]=4 542 B9R0.1 CCC(O)CNCC(F)F 34a_100000765723_100011218378 [0,1,1,0,0,0|2,0,0]=4 543 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,1,1,0,0,0|1,0,0]=3 544 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,1,1,0,0,0|2,0,0]=4 545 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,1,1,0,0,0|2,0,0]=4 546 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,1,1,0,0,0|2,0,0]=4 547 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,1,1,0,0,0|2,0,0]=4 548 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,1,0,0,0|2,0,0]=4 549 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,1,0,0,0|2,0,0]=4 550 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,1,0,0,0|1,0,1]=4 551 B9R0.1 C[C@@H](CO)CNCC(F)F 34a_100000765723_100000059175 [0,1,1,0,0,0|2,0,0]=4 552 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,1,1,0,0,0|2,0,0]=4 553 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,1,1,0,0,0|2,0,0]=4 554 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [0,1,1,0,0,0|2,0,0]=4 555 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [0,1,1,0,0,0|2,0,0]=4 556 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [0,1,1,0,0,0|2,0,0]=4 557 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [0,1,1,0,0,0|2,0,0]=4 558 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,1,1,0,0,0|1,0,0]=3 559 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,1,1,0,0,0|0,0,0]=2 560 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,1,1,0,0,0|1,0,0]=3 561 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,1,1,0,0,0|1,0,0]=3 562 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,1,1,0,0,0|2,0,0]=4 563 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,1,1,0,0,0|2,0,0]=4 564 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,1,1,0,0,0|1,0,0]=3 565 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,1,1,0,0,0|1,0,0]=3 566 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,1,1,0,0,0|0,0,2]=4 567 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,1,1,0,0,0|0,0,2]=4 568 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,1,1,0,0,0|0,0,2]=4 569 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,1,0,0,0|0,0,1]=3 570 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,1,0,0,0|1,0,1]=4 571 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,1,0,0,0|0,0,1]=3 572 B9R0.1 OCC(O)CNCC(F)F 34a_100000765723_100011219619 [0,1,1,0,0,0|1,0,0]=3 573 B9R0.1 OCC(O)COCC(F)F 34a_100000743014_100011219619 [0,1,1,0,0,0|2,0,0]=4 574 B9R0.1 OCC(O)CSCC(F)F 62a_100011219619_100011934356 [0,1,1,0,0,0|2,0,0]=4 575 B9R0.1 OCC(O)CSCC(F)F 62a_100011934356_100011219619 [0,1,1,0,0,0|2,0,0]=4 576 B9R0.1 OC[C@@H](O)CNCC(F)F 2230a_100020644852_100011934356 [0,1,1,0,0,0|1,0,0]=3 577 B9R0.1 OC[C@H](F)CNCC(F)F 34a_100015665980_100011934356 [0,1,1,0,0,0|2,0,0]=4 578 B9R0.1 OC[C@H](O)CNCC(F)F 34a_100000765723_100009815848 [0,1,1,0,0,0|1,0,0]=3 579 B9R0.1 OC[C@H](O)COCC(F)F 34a_100000743014_100009815848 [0,1,1,0,0,0|2,0,0]=4 580 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100009815848_100011934356 [0,1,1,0,0,0|2,0,0]=4 581 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100011934356_100009815848 [0,1,1,0,0,0|2,0,0]=4 582 B9R0.1 O[C@@H](CF)CNCC(F)F 34a_100000765723_100015614560 [0,1,1,0,0,0|2,0,0]=4 583 B9R0.5 C#CCNCC(O)COC 2230a_100000756049_100000038162 [0,1,1,0,0,0|1,0,1]=4 584 B9R0.5 C#CCNCC(O)COC 34a_100000212058_100011215053 [0,1,1,0,0,0|1,0,1]=4 585 B9R0.5 C#CCNCC(O)COC 34a_100000756049_100000184674 [0,1,1,0,0,0|1,0,1]=4 586 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [0,1,1,0,0,0|1,0,1]=4 587 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [0,1,1,0,0,0|1,0,1]=4 588 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,1,1,0,0,0|2,0,0]=4 589 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,1,1,0,0,0|2,0,0]=4 590 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,1,1,0,0,0|2,0,0]=4 591 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,1,0,0,0|1,0,0]=3 592 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,1,0,0,0|1,0,0]=3 593 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,1,0,0,0|2,0,0]=4 594 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,1,0,0,0|2,0,0]=4 595 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,1,0,0,0|2,0,0]=4 596 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [0,1,1,0,0,0|2,0,0]=4 597 B9R0.5 COCC(O)CNCC#N 2230a_100000756049_100011215382 [0,1,1,0,0,0|1,0,1]=4 598 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [0,1,1,0,0,0|0,0,2]=4 599 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [0,1,1,0,0,0|0,0,2]=4 600 B9R0.5 COCC(O)CNCCF 2230a_100000756049_100011217306 [0,1,1,0,0,0|1,0,0]=3 601 B9R0.5 COCC(O)CNCCF 34a_100000724931_100011215053 [0,1,1,0,0,0|1,0,0]=3 602 B9R0.5 COCC(O)CNCCF 34a_100000756049_100011217306 [0,1,1,0,0,0|1,0,0]=3 603 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,1,1,0,0,0|0,0,0]=2 604 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,1,1,0,0,0|0,0,0]=2 605 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,1,1,0,0,0|0,0,0]=2 606 B9R0.5 COCC(O)CNCSC 2230a_100000756049_100011218213 [0,1,1,0,0,0|2,0,0]=4 607 B9R0.5 COCC(O)CNCSC 34a_100000756049_100011218213 [0,1,1,0,0,0|2,0,0]=4 608 B9R0.5 COCC(O)COCCBr 34a_100000211926_100011215053 [0,1,1,0,0,0|2,0,0]=4 609 B9R0.5 COCC(O)COCCN 34a_100000210304_100011215053 [0,1,1,0,0,0|2,0,0]=4 610 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,1,1,0,0,0|2,0,0]=4 611 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,1,1,0,0,0|1,0,0]=3 613 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,1,1,0,0,0|1,0,0]=3 614 B9R0.5 COCNCC(O)COC 2230a_100000756049_100000766300 [0,1,1,0,0,0|2,0,0]=4 615 B9R0.5 N#CC[C@H](O)CNCCO 2230a_100016997473_100000001066 [0,1,1,0,0,0|1,0,0]=3 616 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000001066_100000211926 [0,1,1,0,0,0|2,0,0]=4 617 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000211926_100000001066 [0,1,1,0,0,0|2,0,0]=4 618 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,1,1,0,0,0|0,0,2]=4 619 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,1,1,0,0,0|0,0,2]=4 620 B9R0.20 CC(C)(CO)CNCCF 2230a_100020635058_100011217306 [0,1,1,0,0,0|2,0,0]=4 621 B9R0.20 CC(C)(CO)CNCCF 34a_100000724931_100009813988 [0,1,1,0,0,0|2,0,0]=4 622 B9R0.20 CC(C)(CO)CNCCO 2230a_100020635058_100000211926 [0,1,1,0,0,0|1,0,0]=3 623 B9R0.20 CC(C)(CO)CNCCO 34a_100016990907_100009813988 [0,1,1,0,0,0|1,0,0]=3 624 B9R0.20 CC(C)(CO)CSCCO 62a_100000211926_100009813988 [0,1,1,0,0,0|2,0,0]=4 625 B9R0.20 CC(C)(CO)CSCCO 62a_100009813988_100000211926 [0,1,1,0,0,0|2,0,0]=4 626 B9R0.20 CCCNCC(C)(C)CO 2230a_100020635058_100000210303 [0,1,1,0,0,0|2,0,0]=4 627 B9R0.24 C#CC(C)NCC(O)CO 2230a_100000707721_100011219619 [0,1,1,0,0,0|1,0,1]=4 628 B9R0.24 C#CC(C)NCC(O)CO 34a_100000707721_100011219619 [0,1,1,0,0,0|1,0,1]=4 629 B9R0.24 C#CC(C)NC[C@@H](O)CO 2230a_100000707721_100009815848 [0,1,1,0,0,0|1,0,1]=4 630 B9R0.24 C#CC(C)NC[C@@H](O)CO 34a_100000707721_100009815848 [0,1,1,0,0,0|1,0,1]=4 631 B9R0.24 C=CC(O)CN[C@H](C)CO 2230a_100000737577_100000730141 [0,1,1,0,0,0|1,0,1]=4 632 B9R0.24 CC(C#N)NCC(O)CO 2230a_100000737613_100011219619 [0,1,1,0,0,0|1,0,1]=4 633 B9R0.24 CC(C#N)NC[C@@H](O)CO 2230a_100000737613_100009815848 [0,1,1,0,0,0|1,0,1]=4 634 B9R0.24 CC(C#N)NC[C@H](O)CO 2230a_100020644852_100000184139 [0,1,1,0,0,0|1,0,1]=4 635 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [0,1,1,0,0,0|2,0,0]=4 636 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [0,1,1,0,0,0|2,0,0]=4 637 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [0,1,1,0,0,0|2,0,0]=4 638 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [0,1,1,0,0,0|2,0,0]=4 639 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [0,1,1,0,0,0|2,0,0]=4 640 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,1,0,0,0|2,0,0]=4 641 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,1,1,0,0,0|1,0,1]=4 642 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,1,1,0,0,0|1,0,1]=4 643 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,1,1,0,0,0|1,0,0]=3 644 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [0,1,1,0,0,0|1,0,0]=3 645 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,1,1,0,0,0|0,0,0]=2 646 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,1,1,0,0,0|1,0,0]=3 647 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,1,1,0,0,0|2,0,0]=4 649 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,1,1,0,0,0|1,0,0]=3 650 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,1,0,0,0|1,0,1]=4 651 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,1,0,0,0|1,0,1]=4 652 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [0,1,1,0,0,0|2,0,0]=4 653 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [0,1,1,0,0,0|2,0,0]=4 654 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [0,1,1,0,0,0|2,0,0]=4 655 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,1,1,0,0,0|2,0,0]=4 656 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,1,1,0,0,0|1,0,0]=3 657 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.24 CCC(C)NC[C@@H](O)CF 2230a_100000209981_100015614560 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,1,1,0,0,0|1,0,0]=3 661 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,1,1,0,0,0|1,0,0]=3 662 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,1,1,0,0,0|2,0,0]=4 663 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,1,1,0,0,0|2,0,0]=4 664 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,1,1,0,0,0|2,0,0]=4 665 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,1,1,0,0,0|2,0,0]=4 667 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,1,1,0,0,0|2,0,0]=4 668 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,1,0,0,0|1,0,1]=4 669 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,1,0,0,0|1,0,1]=4 670 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,1,1,0,0,0|2,0,0]=4 671 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,1,1,0,0,0|2,0,0]=4 672 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [0,1,1,0,0,0|1,0,0]=3 673 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [0,1,1,0,0,0|1,0,0]=3 674 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,1,1,0,0,0|2,0,0]=4 675 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,1,1,0,0,0|2,0,0]=4 676 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,1,1,0,0,0|2,0,0]=4 677 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [0,1,1,0,0,0|2,0,0]=4 678 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,1,1,0,0,0|1,0,0]=3 679 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,1,1,0,0,0|2,0,0]=4 680 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,1,1,0,0,0|2,0,0]=4 681 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,1,1,0,0,0|0,0,0]=2 682 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [0,1,1,0,0,0|1,0,0]=3 683 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,1,1,0,0,0|0,0,0]=2 684 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,1,1,0,0,0|1,0,0]=3 685 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,1,1,0,0,0|1,0,0]=3 686 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,1,1,0,0,0|2,0,0]=4 687 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,1,1,0,0,0|2,0,0]=4 688 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,1,1,0,0,0|1,0,0]=3 689 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,1,1,0,0,0|1,0,0]=3 690 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,1,1,0,0,0|1,0,1]=4 691 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,1,1,0,0,0|1,0,1]=4 692 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,1,1,0,0,0|0,0,1]=3 693 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,1,1,0,0,0|0,0,1]=3 694 B9R0.34 C#CCN(C)CC(O)CO 2230a_100000225692_100011219619 [0,1,1,0,0,0|1,0,1]=4 695 B9R0.34 C#CCN(C)CC(O)CO 2230a_100011216503_100000038162 [0,1,1,0,0,0|1,0,1]=4 696 B9R0.34 C#CCN(C)CC(O)CO 34a_100000225692_100011219619 [0,1,1,0,0,0|1,0,1]=4 697 B9R0.34 C#CCN(C)C[C@@H](O)CO 2230a_100000225692_100009815848 [0,1,1,0,0,0|1,0,1]=4 698 B9R0.34 C#CCN(C)C[C@@H](O)CO 34a_100000225692_100009815848 [0,1,1,0,0,0|1,0,1]=4 699 B9R0.34 C=CC(O)CN(C)CCO 2230a_100000210263_100000730141 [0,1,1,0,0,0|1,0,1]=4 700 B9R0.34 C=CCN(C)CC(O)CO 2230a_100000225617_100011219619 [0,1,1,0,0,0|1,0,1]=4 701 B9R0.34 C=CCN(C)CC(O)CO 2230a_100011216503_100000210623 [0,1,1,0,0,0|1,0,1]=4 702 B9R0.34 C=CCN(C)CC(O)CO 269982a_100011216503_100000210623 [0,1,1,0,0,0|1,0,1]=4 703 B9R0.34 C=CCN(C)C[C@@H](O)CO 2230a_100000225617_100009815848 [0,1,1,0,0,0|1,0,1]=4 704 B9R0.34 CCC(C)CN(C)CCO 2230a_100000210263_100000748023 [0,1,1,0,0,0|2,0,0]=4 705 B9R0.34 CCC(C)CN(C)CCO 2230a_100000753921_100000211926 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.34 CCC(C)CN(C)CCO 269982a_100000210263_100000748023 [0,1,1,0,0,0|2,0,0]=4 707 B9R0.34 CCC(C)CN(C)CCO 269982a_100000753921_100000211926 [0,1,1,0,0,0|2,0,0]=4 708 B9R0.34 CCC(C)CN(C)CCO 270004a_100000210263_100000243153 [0,1,1,0,0,0|2,0,0]=4 709 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,1,1,0,0,0|2,0,0]=4 710 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,1,1,0,0,0|2,0,0]=4 711 B9R0.34 CCC(O)CN(C)CCO 2230a_100000210263_100011218378 [0,1,1,0,0,0|1,0,0]=3 712 B9R0.34 CCC(O)CN(C)CCO 269982a_100000210263_100011218378 [0,1,1,0,0,0|1,0,0]=3 713 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,1,1,0,0,0|2,0,0]=4 714 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,1,1,0,0,0|2,0,0]=4 715 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [0,1,1,0,0,0|1,0,0]=3 716 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [0,1,1,0,0,0|1,0,0]=3 717 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [0,1,1,0,0,0|1,0,0]=3 718 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [0,1,1,0,0,0|1,0,0]=3 719 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [0,1,1,0,0,0|1,0,0]=3 720 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,1,1,0,0,0|2,0,0]=4 721 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,1,1,0,0,0|2,0,0]=4 722 B9R0.34 CCCN(C)C[C@@H](O)CF 2230a_100000747261_100015614560 [0,1,1,0,0,0|2,0,0]=4 723 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [0,1,1,0,0,0|1,0,0]=3 724 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [0,1,1,0,0,0|1,0,0]=3 725 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [0,1,1,0,0,0|1,0,0]=3 726 B9R0.34 CC[C@H](C)CN(C)CCO 2230a_100000210263_100009816398 [0,1,1,0,0,0|2,0,0]=4 727 B9R0.34 CC[C@H](C)CN(C)CCO 269982a_100000210263_100009816398 [0,1,1,0,0,0|2,0,0]=4 728 B9R0.34 CN(CC#N)CC(O)CO 2230a_100000748184_100011219619 [0,1,1,0,0,0|1,0,1]=4 729 B9R0.34 CN(CC#N)CC(O)CO 2230a_100011216503_100011215382 [0,1,1,0,0,0|1,0,1]=4 730 B9R0.34 CN(CC#N)CC(O)CO 269982a_100011216503_100011214920 [0,1,1,0,0,0|1,0,1]=4 731 B9R0.34 CN(CC#N)C[C@@H](O)CO 2230a_100000748184_100009815848 [0,1,1,0,0,0|1,0,1]=4 732 B9R0.34 CN(CC=O)CC(O)CO 2230a_100011216503_200015260668 [0,1,1,0,0,0|0,0,2]=4 733 B9R0.34 CN(CC=O)CC(O)CO 269982a_100011216503_200015260668 [0,1,1,0,0,0|0,0,2]=4 734 B9R0.34 CN(CCF)CC(O)CO 2230a_100011216503_100011217306 [0,1,1,0,0,0|1,0,0]=3 735 B9R0.34 CN(CCF)CC(O)CO 269982a_100011216503_100011217306 [0,1,1,0,0,0|1,0,0]=3 736 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [0,1,1,0,0,0|0,0,0]=2 737 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [0,1,1,0,0,0|0,0,0]=2 738 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [0,1,1,0,0,0|0,0,0]=2 739 B9R0.34 CN(CCO)C[C@@H](O)CF 2230a_100000210263_100015614560 [0,1,1,0,0,0|1,0,0]=3 740 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [0,1,1,0,0,0|0,0,0]=2 741 B9R0.34 COCN(C)CC(O)CO 2230a_100011216503_100000766300 [0,1,1,0,0,0|2,0,0]=4 742 B9R0.34 COCN(C)CC(O)CO 269982a_100011216503_100000766300 [0,1,1,0,0,0|2,0,0]=4 743 B9R0.34 CSCN(C)CC(O)CO 2230a_100011216503_100011218213 [0,1,1,0,0,0|2,0,0]=4 744 B9R0.34 CSCN(C)CC(O)CO 269982a_100011216503_100011218213 [0,1,1,0,0,0|2,0,0]=4 745 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,1,1,0,0,0|2,0,0]=4 746 B9R0.34 C[C@@H](CO)CN(C)CCO 2230a_100000210263_100000059175 [0,1,1,0,0,0|1,0,0]=3 747 B9R0.34 C[C@@H](CO)CN(C)CCO 269982a_100000210263_100000059175 [0,1,1,0,0,0|1,0,0]=3 748 B9R0.46 C#CCCNCC(C)CO 34a_100000744482_100000688953 [0,1,1,0,0,0|2,0,0]=4 749 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,1,1,0,0,0|2,0,0]=4 750 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,1,1,0,0,0|2,0,0]=4 751 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,1,1,0,0,0|1,0,0]=3 752 B9R0.46 C#CCCNC[C@@H](C)CO 34a_100000755551_100000059175 [0,1,1,0,0,0|2,0,0]=4 753 B9R0.46 C#CCCNC[C@@H](F)CO 34a_100015665980_100000688953 [0,1,1,0,0,0|2,0,0]=4 754 B9R0.46 C#CCCNC[C@@H](O)CF 34a_100000755551_100015614560 [0,1,1,0,0,0|2,0,0]=4 755 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,1,1,0,0,0|1,0,0]=3 756 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,1,1,0,0,0|1,0,0]=3 757 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,1,1,0,0,0|2,0,0]=4 758 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,1,1,0,0,0|2,0,0]=4 759 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,1,1,0,0,0|2,0,0]=4 760 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,1,1,0,0,0|2,0,0]=4 761 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,1,1,0,0,0|2,0,0]=4 762 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,1,1,0,0,0|2,0,0]=4 763 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,1,1,0,0,0|1,0,1]=4 764 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,1,1,0,0,0|2,0,0]=4 765 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,1,1,0,0,0|2,0,0]=4 766 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,1,1,0,0,0|2,0,0]=4 767 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,1,1,0,0,0|1,0,0]=3 768 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,1,1,0,0,0|2,0,0]=4 769 B9R0.46 C=CCCNC[C@@H](F)CO 34a_100015665980_100000754431 [0,1,1,0,0,0|2,0,0]=4 770 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,1,1,0,0,0|2,0,0]=4 771 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,1,1,0,0,0|1,0,0]=3 772 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,1,1,0,0,0|1,0,0]=3 773 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,1,1,0,0,0|2,0,0]=4 774 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,1,1,0,0,0|2,0,0]=4 775 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,1,1,0,0,0|2,0,0]=4 776 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,1,1,0,0,0|2,0,0]=4 777 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,1,1,0,0,0|2,0,0]=4 778 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,1,1,0,0,0|2,0,0]=4 779 B9R0.46 CC#CCNCC(O)CO 2230a_100000685387_100011219619 [0,1,1,0,0,0|1,0,1]=4 780 B9R0.46 CC#CCNCC(O)CO 34a_100000685387_100011219619 [0,1,1,0,0,0|1,0,1]=4 781 B9R0.46 CC#CCNC[C@@H](O)CO 2230a_100000685387_100009815848 [0,1,1,0,0,0|1,0,1]=4 782 B9R0.46 CC#CCNC[C@@H](O)CO 34a_100000685387_100009815848 [0,1,1,0,0,0|1,0,1]=4 783 B9R0.46 CC#CCNC[C@H](O)CO 2230a_100020644852_100000748600 [0,1,1,0,0,0|1,0,1]=4 784 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [0,1,1,0,0,0|2,0,0]=4 785 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [0,1,1,0,0,0|2,0,0]=4 786 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,1,1,0,0,0|1,0,0]=3 787 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,1,1,0,0,0|1,0,0]=3 788 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,1,1,0,0,0|2,0,0]=4 789 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,1,1,0,0,0|1,0,0]=3 790 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,1,1,0,0,0|2,0,0]=4 791 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,1,1,0,0,0|2,0,0]=4 792 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,1,1,0,0,0|2,0,0]=4 793 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,1,1,0,0,0|1,0,1]=4 794 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,1,1,0,0,0|2,0,0]=4 795 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,1,1,0,0,0|2,0,0]=4 796 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,1,1,0,0,0|2,0,0]=4 797 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,1,1,0,0,0|2,0,0]=4 798 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,1,1,0,0,0|2,0,0]=4 799 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,1,1,0,0,0|2,0,0]=4 800 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,1,1,0,0,0|2,0,0]=4 801 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,1,1,0,0,0|2,0,0]=4 802 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,1,1,0,0,0|2,0,0]=4 803 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,1,1,0,0,0|2,0,0]=4 804 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,1,0,0,0|1,0,0]=3 805 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,1,0,0,0|1,0,0]=3 806 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,1,0,0,0|1,0,0]=3 807 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,1,0,0,0|1,1,0]=4 808 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,1,0,0,0|1,1,0]=4 809 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,1,0,0,0|2,0,0]=4 810 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,1,1,0,0,0|2,0,0]=4 811 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,1,0,0,0|2,0,0]=4 812 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,1,0,0,0|2,0,0]=4 813 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,1,0,0,0|2,0,0]=4 814 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,1,0,0,0|2,0,0]=4 815 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,1,0,0,0|2,0,0]=4 816 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,1,0,0,0|2,0,0]=4 817 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,1,0,0,0|2,0,0]=4 818 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,1,0,0,0|2,0,0]=4 819 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,1,0,0,0|1,0,0]=3 820 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,1,0,0,0|1,0,0]=3 821 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,1,0,0,0|2,0,0]=4 822 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,1,0,0,0|2,0,0]=4 823 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,1,0,0,0|2,0,0]=4 824 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,1,0,0,0|2,0,0]=4 825 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,1,0,0,0|2,0,0]=4 826 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,1,0,0,0|1,0,0]=3 827 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,1,0,0,0|1,0,0]=3 828 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,1,0,0,0|1,0,0]=3 829 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,1,0,0,0|2,0,0]=4 830 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,1,0,0,0|2,0,0]=4 831 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,1,0,0,0|2,0,0]=4 832 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,1,0,0,0|2,0,0]=4 833 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,1,0,0,0|2,0,0]=4 834 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,1,0,0,0|2,0,0]=4 835 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,1,0,0,0|2,0,0]=4 836 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,1,0,0,0|2,0,0]=4 837 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,1,0,0,0|2,0,0]=4 838 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,1,0,0,0|2,0,0]=4 839 B9R0.46 CCCNN=CC(O)CO 4a_100000740057_100000033539 [0,1,1,0,0,0|1,0,1]=4 840 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,1,1,0,0,0|2,0,0]=4 841 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,1,1,0,0,0|2,0,0]=4 842 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,1,1,0,0,0|2,0,0]=4 843 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,1,1,0,0,0|2,0,0]=4 844 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,1,1,0,0,0|2,0,0]=4 845 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,1,1,0,0,0|1,0,0]=3 846 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,1,1,0,0,0|0,0,0]=2 847 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,1,1,0,0,0|1,0,0]=3 848 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,1,1,0,0,0|1,0,0]=3 849 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,1,1,0,0,0|1,0,0]=3 850 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,1,1,0,0,0|0,0,0]=2 851 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,1,1,0,0,0|0,0,0]=2 852 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,1,1,0,0,0|1,0,0]=3 853 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,1,1,0,0,0|2,0,0]=4 854 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,1,1,0,0,0|2,0,0]=4 855 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,1,1,0,0,0|1,0,0]=3 856 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,1,1,0,0,0|1,0,0]=3 857 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,1,1,0,0,0|1,0,0]=3 858 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,1,1,0,0,0|2,0,0]=4 859 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,1,1,0,0,0|2,0,0]=4 860 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,1,1,0,0,0|2,0,0]=4 861 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,1,1,0,0,0|2,0,0]=4 862 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,1,1,0,0,0|1,0,0]=3 863 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,1,1,0,0,0|1,0,0]=3 864 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,1,1,0,0,0|1,1,0]=4 865 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,1,1,0,0,0|0,1,0]=3 866 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,1,1,0,0,0|1,1,0]=4 867 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,1,1,0,0,0|1,1,0]=4 868 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,1,1,0,0,0|1,1,0]=4 869 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,1,1,0,0,0|0,1,0]=3 870 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,1,1,0,0,0|0,1,0]=3 871 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,1,1,0,0,0|1,1,0]=4 872 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,1,1,0,0,0|1,1,0]=4 873 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,1,1,0,0,0|1,1,0]=4 874 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,1,1,0,0,0|1,1,0]=4 875 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,1,1,0,0,0|1,1,0]=4 876 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,1,1,0,0,0|1,1,0]=4 877 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,1,1,0,0,0|1,1,0]=4 878 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,1,1,0,0,0|1,1,0]=4 879 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,1,1,0,0,0|2,0,0]=4 880 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,1,1,0,0,0|2,0,0]=4 881 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,1,1,0,0,0|2,0,0]=4 882 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,1,1,0,0,0|2,0,0]=4 883 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,1,1,0,0,0|2,0,0]=4 884 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,1,1,0,0,0|2,0,0]=4 885 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,1,1,0,0,0|2,0,0]=4 886 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,1,1,0,0,0|2,0,0]=4 887 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,1,1,0,0,0|1,0,0]=3 888 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,1,1,0,0,0|2,0,0]=4 889 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,1,1,0,0,0|2,0,0]=4 890 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,1,1,0,0,0|2,0,0]=4 891 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,1,1,0,0,0|2,0,0]=4 892 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,1,1,0,0,0|2,0,0]=4 893 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,1,1,0,0,0|2,0,0]=4 894 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,1,1,0,0,0|1,0,0]=3 895 B9R0.46 NOCCOC[C@@H](O)CF 34a_100000700252_100015614560 [0,1,1,0,0,0|2,0,0]=4 896 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,1,1,0,0,0|1,0,0]=3 897 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,1,1,0,0,0|1,0,0]=3 898 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,1,1,0,0,0|1,0,0]=3 899 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,1,1,0,0,0|2,0,0]=4 900 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,1,1,0,0,0|2,0,0]=4 901 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,1,1,0,0,0|2,0,0]=4 902 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,1,1,0,0,0|2,0,0]=4 903 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,1,1,0,0,0|2,0,0]=4 904 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,1,1,0,0,0|1,0,0]=3 905 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,1,1,0,0,0|0,0,0]=2 906 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,1,1,0,0,0|1,0,0]=3 907 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,1,1,0,0,0|1,0,0]=3 908 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,1,1,0,0,0|2,0,0]=4 909 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,1,1,0,0,0|2,0,0]=4 910 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,1,1,0,0,0|1,0,0]=3 911 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,1,1,0,0,0|1,0,0]=3 912 B9R0.46 OCCNN=CC(O)CO 4a_100000210001_100000033539 [0,1,1,0,0,0|0,0,1]=3 913 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,1,1,0,0,0|1,0,0]=3 914 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,1,1,0,0,0|2,0,0]=4 915 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,1,1,0,0,0|1,0,0]=3 916 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,1,1,0,0,0|1,0,0]=3 917 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,1,1,0,0,0|2,0,0]=4 918 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,1,1,0,0,0|2,0,0]=4 919 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,1,1,0,0,0|2,0,0]=4 920 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,1,1,0,0,0|2,0,0]=4 921 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,1,1,0,0,0|2,0,0]=4 922 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,1,1,0,0,0|2,0,0]=4 923 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,1,1,0,0,0|2,0,0]=4 924 B9R0.47 CC(C)C(O)CNCCF 2230a_100000759067_100011217306 [0,1,1,0,0,0|2,0,0]=4 925 B9R0.47 CC(C)C(O)CNCCF 34a_100000759067_100011217306 [0,1,1,0,0,0|2,0,0]=4 926 B9R0.47 CC(C)C(O)CNCCO 2230a_100000759067_100000211926 [0,1,1,0,0,0|1,0,0]=3 927 B9R0.47 CC(C)C(O)CNCCO 34a_100000759067_100000211926 [0,1,1,0,0,0|1,0,0]=3 928 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,1,0,0,0|1,0,1]=4 929 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,1,0,0,0|2,0,0]=4 930 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,1,0,0,0|2,0,0]=4 931 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,1,0,0,0|1,0,1]=4 932 B9R0.50 CCC(CC)CNCCO 2230a_100016997473_100011215472 [0,1,1,0,0,0|2,0,0]=4 933 B9R0.50 CCC(CC)CNCCO 2230a_100102946423_100000211926 [0,1,1,0,0,0|2,0,0]=4 934 B9R0.50 CCC(CC)CNCCO 269862a_100000210304_100000211137 [0,1,1,0,0,0|2,0,0]=4 935 B9R0.50 CCC(CC)CNCCO 270004a_100000210304_100000211137 [0,1,1,0,0,0|2,0,0]=4 936 B9R0.50 CCC(CC)CNCCO 34a_100016990907_100011215472 [0,1,1,0,0,0|2,0,0]=4 937 B9R0.50 CCC(COCCO)OC 34a_100011934954_100000211926 [0,1,1,0,0,0|2,0,0]=4 938 B9R0.50 CCC(COCCO)OC 7a_100011934954_100000211926 [0,1,1,0,0,0|2,0,0]=4 939 B9R0.50 COC(CNCCO)OC 2230a_100016997473_100000751394 [0,1,1,0,0,0|2,0,0]=4 940 B9R0.50 COC(CNCCO)OC 270004a_100000210304_100000752162 [0,1,1,0,0,0|2,0,0]=4 941 B9R0.50 COC(CNCCO)OC 34a_100016990907_100000211822 [0,1,1,0,0,0|2,0,0]=4 942 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [0,1,1,0,0,0|2,0,0]=4 943 B9R0.50 OCCNN=C(CO)CO 4a_100000210001_100000036256 [0,1,1,0,0,0|1,0,1]=4 944 B9R0.13 C#CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000038162 [0,1,1,0,0,0|1,0,1]=4 945 B9R0.13 C#CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000184674 [0,1,1,0,0,0|1,0,1]=4 946 B9R0.13 C=CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210623 [0,1,1,0,0,0|1,0,1]=4 947 B9R0.13 C=CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100015514636 [0,1,1,0,0,0|1,0,1]=4 948 B9R0.13 CC(C)[C@H](CO)NCCF 2230a_100011830312_100011217306 [0,1,1,0,0,0|2,0,0]=4 949 B9R0.13 CC(C)[C@H](CO)NCCF 34a_100011830312_100011217306 [0,1,1,0,0,0|2,0,0]=4 950 B9R0.13 CC(C)[C@H](CO)NCCO 2230a_100011830312_100000211926 [0,1,1,0,0,0|1,0,0]=3 951 B9R0.13 CC(C)[C@H](CO)NCCO 34a_100011830312_100000211926 [0,1,1,0,0,0|1,0,0]=3 952 B9R0.13 CCC(NCCO)C(C)C 270004a_100000210304_100000210600 [0,1,1,0,0,0|2,0,0]=4 953 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,1,0,0,0|1,0,1]=4 954 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [0,1,1,0,0,0|2,0,0]=4 955 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [0,1,1,0,0,0|2,0,0]=4 956 B9R0.13 CCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210303 [0,1,1,0,0,0|2,0,0]=4 957 B9R0.13 CCCN[C@@H](CO)C(C)C 34a_100011830312_100000210303 [0,1,1,0,0,0|2,0,0]=4 958 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [0,1,1,0,0,0|1,0,0]=3 959 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [0,1,1,0,0,0|1,0,0]=3 960 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,1,1,0,0,0|1,0,1]=4 961 B9R0.13 CC[C@H](NCCF)[C@@H](C)O 2230a_100161114882_100011217306 [0,1,1,0,0,0|2,0,0]=4 962 B9R0.13 CC[C@H](NCCF)[C@@H](C)O 34a_100161114882_100011217306 [0,1,1,0,0,0|2,0,0]=4 963 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2230a_100161114882_100000211926 [0,1,1,0,0,0|1,0,0]=3 964 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 34a_100161114882_100000211926 [0,1,1,0,0,0|1,0,0]=3 965 B9R0.13 COCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000766300 [0,1,1,0,0,0|2,0,0]=4 966 B9R0.13 CSCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011218213 [0,1,1,0,0,0|2,0,0]=4 967 B9R0.13 CSCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011218213 [0,1,1,0,0,0|2,0,0]=4 968 B9R0.13 C[C@@H](O)[C@@H](CO)NCC#N 2230a_100015196842_100011215382 [0,1,1,0,0,0|1,0,1]=4 969 B9R0.13 C[C@@H](O)[C@@H](CO)NCC=O 2230a_100015196842_200015260668 [0,1,1,0,0,0|0,0,2]=4 970 B9R0.13 C[C@@H](O)[C@@H](CO)NCC=O 34a_100015196842_200009817547 [0,1,1,0,0,0|0,0,2]=4 971 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 2230a_100015196842_100011217306 [0,1,1,0,0,0|1,0,0]=3 972 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 34a_100015196842_100011217306 [0,1,1,0,0,0|1,0,0]=3 973 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [0,1,1,0,0,0|0,0,0]=2 974 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [0,1,1,0,0,0|0,0,0]=2 975 B9R0.13 NC(=O)[C@H](CO)NCCO 2230a_100000729942_100000211926 [0,1,1,0,0,0|0,0,2]=4 976 B9R0.13 NC(=O)[C@H](CO)NCCO 34a_100000729942_100000211926 [0,1,1,0,0,0|0,0,2]=4 977 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,1,1,0,0,0|1,0,1]=4 978 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,1,1,0,0,0|0,0,1]=3 979 B9R0.26 C=C[C@@H](CO)NC(C)CO 2230a_100016989147_100012180447 [0,1,1,0,0,0|1,0,1]=4 980 B9R0.26 C=C[C@@H](CO)NC(C)CO 34a_100016989147_100012180447 [0,1,1,0,0,0|1,0,1]=4 981 B9R0.26 CC(C#N)NC(CO)CO 2230a_100000759517_100000184139 [0,1,1,0,0,0|1,0,1]=4 982 B9R0.26 CC(CO)NC(CO)CO 2230a_100000759517_100012180447 [0,1,1,0,0,0|0,0,0]=2 983 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [0,1,1,0,0,0|1,0,1]=4 984 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [0,1,1,0,0,0|1,0,1]=4 985 B9R0.26 CCC(C)NC(CO)CO 2230a_100000759517_100000758301 [0,1,1,0,0,0|1,0,0]=3 986 B9R0.26 CCC(C)N[C@@H](CC)CO 2230a_100000709445_100000758301 [0,1,1,0,0,0|2,0,0]=4 987 B9R0.26 CCC(CC)NC(C)CO 2230a_100000199018_100012180447 [0,1,1,0,0,0|2,0,0]=4 988 B9R0.26 CCC(CC)N[C@H](C)CO 270004a_100000737577_100000210860 [0,1,1,0,0,0|2,0,0]=4 989 B9R0.26 CC[C@@H](CO)NC(=O)CO 240690a_100000709445_100000210174 [0,1,1,0,0,0|1,0,1]=4 990 B9R0.26 CC[C@@H](CO)NC(=O)CO 527a_100000709445_100000210174 [0,1,1,0,0,0|1,0,1]=4 991 B9R0.26 CC[C@@H](CO)NC(C)CO 2230a_100000709445_100012180447 [0,1,1,0,0,0|1,0,0]=3 992 B9R0.26 O=C(CO)NC(CO)CO 240690a_100000759517_100000210174 [0,1,1,0,0,0|0,0,1]=3 993 B9R0.26 O=C(CO)NC(CO)CO 527a_100000759517_100000210174 [0,1,1,0,0,0|0,0,1]=3 994 B9R0.40 C#CCNC(CO)COC 2230a_100000724102_100000038162 [0,1,1,0,0,0|1,0,1]=4 995 B9R0.40 C#CCNC(CO)COC 34a_100000724102_100000184674 [0,1,1,0,0,0|1,0,1]=4 996 B9R0.40 C=CCNC(CO)COC 2230a_100000724102_100000210623 [0,1,1,0,0,0|1,0,1]=4 997 B9R0.40 C=CCNC(CO)COC 34a_100000724102_100015514636 [0,1,1,0,0,0|1,0,1]=4 998 B9R0.40 C=CC[C@H](CO)NCCC 2230a_100020615467_100000210303 [0,1,1,0,0,0|2,0,0]=4 999 B9R0.40 C=CC[C@H](CO)NCCF 2230a_100020615467_100011217306 [0,1,1,0,0,0|2,0,0]=4 1000 B9R0.40 C=CC[C@H](CO)NCCO 2230a_100020615467_100000211926 [0,1,1,0,0,0|1,0,0]=3 1001 B9R0.40 CCC(COC)NCCF 2230a_100000757820_100011217306 [0,1,1,0,0,0|2,0,0]=4 1002 B9R0.40 CCC(COC)NCCO 2230a_100000757820_100000211926 [0,1,1,0,0,0|1,0,0]=3 1003 B9R0.40 CCC(COC)NCCO 270004a_100000210304_100000757811 [0,1,1,0,0,0|1,0,0]=3 1004 B9R0.40 CCC(COC)OCCO 7a_200011214946_100000211926 [0,1,1,0,0,0|2,0,0]=4 1005 B9R0.40 CCCC(CC)NCCO 2230a_100000747048_100000211926 [0,1,1,0,0,0|2,0,0]=4 1006 B9R0.40 CCCC(CC)NCCO 270004a_100000210304_100000687865 [0,1,1,0,0,0|2,0,0]=4 1007 B9R0.40 CCCNC(CC)COC 2230a_100000757820_100000210303 [0,1,1,0,0,0|2,0,0]=4 1008 B9R0.40 CCCNC(CC)COC 270004a_100020643023_100000757811 [0,1,1,0,0,0|2,0,0]=4 1009 B9R0.40 CCCNC(CO)COC 2230a_100000724102_100000210303 [0,1,1,0,0,0|1,0,0]=3 1010 B9R0.40 CCCNC(CO)COC 34a_100000724102_100000210303 [0,1,1,0,0,0|1,0,0]=3 1011 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [0,1,1,0,0,0|2,0,0]=4 1012 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [0,1,1,0,0,0|2,0,0]=4 1013 B9R0.40 CCC[C@@H](CO)NCCF 2230a_100000732646_100011217306 [0,1,1,0,0,0|2,0,0]=4 1014 B9R0.40 CCC[C@@H](CO)NCCF 34a_100000732646_100011217306 [0,1,1,0,0,0|2,0,0]=4 1015 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [0,1,1,0,0,0|1,0,0]=3 1016 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [0,1,1,0,0,0|1,0,0]=3 1017 B9R0.40 CC[C@H](CC#N)NCCO 2230a_200009818565_100000211926 [0,1,1,0,0,0|2,0,0]=4 1018 B9R0.40 COCC(CCl)OCCO 34a_100011215053_100000211926 [0,1,1,0,0,0|2,0,0]=4 1019 B9R0.40 COCC(CN)OCCO 34a_100000756049_100000211926 [0,1,1,0,0,0|2,0,0]=4 1020 B9R0.40 COCC(CO)NCC#N 2230a_100000724102_100011215382 [0,1,1,0,0,0|1,0,1]=4 1021 B9R0.40 COCC(CO)NCC=O 2230a_100000724102_200015260668 [0,1,1,0,0,0|0,0,2]=4 1022 B9R0.40 COCC(CO)NCC=O 34a_100000724102_200009817547 [0,1,1,0,0,0|0,0,2]=4 1023 B9R0.40 COCC(CO)NCCF 2230a_100000724102_100011217306 [0,1,1,0,0,0|1,0,0]=3 1024 B9R0.40 COCC(CO)NCCF 34a_100000724102_100011217306 [0,1,1,0,0,0|1,0,0]=3 1025 B9R0.40 COCC(CO)NCCO 2230a_100000724102_100000211926 [0,1,1,0,0,0|0,0,0]=2 1026 B9R0.40 COCC(CO)NCCO 34a_100000724102_100000211926 [0,1,1,0,0,0|0,0,0]=2 1027 B9R0.40 COCC(CO)NCSC 2230a_100000724102_100011218213 [0,1,1,0,0,0|2,0,0]=4 1028 B9R0.40 COCC(CO)NCSC 34a_100000724102_100011218213 [0,1,1,0,0,0|2,0,0]=4 1029 B9R0.40 COCNC(CO)COC 2230a_100000724102_100000766300 [0,1,1,0,0,0|2,0,0]=4 1030 B9R0.43 C=C(C)CNC(CO)CO 2230a_100000759517_100000748629 [0,1,1,0,0,0|1,0,1]=4 1031 B9R0.43 C=C(F)CNC(CO)CO 2230a_100000759517_100009893438 [0,1,1,0,0,0|1,0,1]=4 1032 B9R0.43 C=C[C@@H](CO)NCC(C)O 2230a_100016989147_100011218427 [0,1,1,0,0,0|1,0,1]=4 1033 B9R0.43 C=C[C@@H](CO)NCC(C)O 34a_100016989147_100011218427 [0,1,1,0,0,0|1,0,1]=4 1034 B9R0.43 C=C[C@@H](CO)NC[C@@H](C)O 2230a_100016989147_100009817552 [0,1,1,0,0,0|1,0,1]=4 1035 B9R0.43 C=C[C@@H](CO)NC[C@@H](C)O 34a_100016989147_100009817552 [0,1,1,0,0,0|1,0,1]=4 1036 B9R0.43 CC(C)CNC(CO)CO 2230a_100000759517_100000210760 [0,1,1,0,0,0|1,0,0]=3 1037 B9R0.43 CC(O)CNC(CO)CO 2230a_100000759517_100011218427 [0,1,1,0,0,0|0,0,0]=2 1038 B9R0.43 CCC(CC)NCC(C)O 2230a_100000199018_100011218427 [0,1,1,0,0,0|2,0,0]=4 1039 B9R0.43 CCC(CC)NCC(C)O 270004a_100000210904_100000210860 [0,1,1,0,0,0|2,0,0]=4 1040 B9R0.43 CCC(CC)NC[C@@H](C)O 2230a_100000199018_100009817552 [0,1,1,0,0,0|2,0,0]=4 1041 B9R0.43 CC[C@@H](CO)NCC(C)C 2230a_100000709445_100000210760 [0,1,1,0,0,0|2,0,0]=4 1042 B9R0.43 CC[C@@H](CO)NCC(C)C 270004a_100000709445_100000210432 [0,1,1,0,0,0|2,0,0]=4 1043 B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [0,1,1,0,0,0|1,0,0]=3 1044 B9R0.43 CC[C@@H](CO)NCC(F)F 2230a_100000709445_100011934356 [0,1,1,0,0,0|2,0,0]=4 1045 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [0,1,1,0,0,0|1,0,0]=3 1046 B9R0.43 C[C@@H](O)CNC(CO)CO 2230a_100000759517_100009817552 [0,1,1,0,0,0|0,0,0]=2 1047 B9R0.43 NC(=O)CNC(CO)CO 2230a_100000759517_100000747473 [0,1,1,0,0,0|0,0,2]=4 1048 B9R0.43 OCC(CO)NCC(F)F 2230a_100000759517_100011934356 [0,1,1,0,0,0|1,0,0]=3 1049 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.7 COCN1CCC(C1)O 2230a_100011215560_100000766300 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.7 COCN1CCC(C1)O 269982a_100011215560_100000766300 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.7 COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200000210301 [1,1,0,0,0,0|1,0,0]=3 1054 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [1,1,0,0,0,0|2,0,0]=4 1055 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [1,1,0,0,0,0|2,0,0]=4 1056 B9R1.7 [13CH3]OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200025704644 [1,1,0,0,0,0|1,0,0]=3 1057 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [1,1,0,0,0,0|0,0,0]=2 1058 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [1,1,0,0,0,0|0,0,0]=2 1059 B9R1.22 CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_200000210301 [1,1,0,0,0,0|1,0,0]=3 1060 B9R1.22 CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_200000210301 [1,1,0,0,0,0|1,0,0]=3 1061 B9R1.22 CN1C[C@H](C[C@H]1CO)F 34a_100015204000_200000210301 [1,1,0,0,0,0|1,0,0]=3 1062 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [1,1,0,0,0,0|0,0,0]=2 1063 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [1,1,0,0,0,0|0,0,0]=2 1064 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 2230a_100015204000_200025704644 [1,1,0,0,0,0|1,0,0]=3 1065 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 269982a_100015204000_200025704644 [1,1,0,0,0,0|1,0,0]=3 1066 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 34a_100015204000_200025704644 [1,1,0,0,0,0|1,0,0]=3 1067 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,1,0,0,0,0|2,0,0]=4 1069 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [1,1,0,0,0,0|2,0,0]=4 1071 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000766300 [0,1,0,0,1,0|2,0,0]=4 1072 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000766300 [0,1,0,0,1,0|2,0,0]=4 1073 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [0,1,0,0,1,0|2,0,0]=4 1074 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [0,1,0,0,1,0|2,0,0]=4 1075 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000766300 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000766300 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000211926 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000211926 [0,1,0,0,0,1|2,0,0]=4 1079 B11R1.977 CN[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO 2230a_100015190309_200000210301 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.977 [13CH3]N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO 2230a_100015190309_200025704644 [0,2,0,0,0,0|1,0,0]=3 1081 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,0,1,1,0,0|2,0,0]=4 1082 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,0,1,1,0,0|2,0,0]=4 1083 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,1,1,0,0|2,0,0]=4 1084 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,1,1,0,0|2,0,0]=4 1085 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [0,0,1,1,0,0|2,0,0]=4 1086 B9R1.17 FCCNCC1COC1 2230a_100015281925_100011217306 [0,0,1,1,0,0|2,0,0]=4 1087 B9R1.17 FCCNCC1COC1 34a_100000724931_100010264016 [0,0,1,1,0,0|2,0,0]=4 1088 B9R1.17 FCCNCC1COC1 34a_100015281925_100011217306 [0,0,1,1,0,0|2,0,0]=4 1089 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [0,0,1,1,0,0|2,0,0]=4 1090 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [0,0,1,1,0,0|2,0,0]=4 1091 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [0,0,1,1,0,0|2,0,0]=4 1092 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [0,0,1,1,0,0|2,0,0]=4 1093 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [0,0,1,1,0,0|2,0,0]=4 1094 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [0,0,1,1,0,0|2,0,0]=4 1095 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [0,0,1,1,0,0|2,0,0]=4 1096 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [0,0,1,1,0,0|1,0,0]=3 1097 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [0,0,1,1,0,0|1,0,0]=3 1098 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [0,0,1,1,0,0|1,0,0]=3 1099 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [0,0,1,1,0,0|1,0,0]=3 1100 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [0,0,1,1,0,0|1,0,0]=3 1101 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [0,0,1,1,0,0|1,0,0]=3 1102 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [0,0,1,1,0,0|1,0,0]=3 1103 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [0,0,1,1,0,0|1,0,0]=3 1104 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,0,1,1,0,0|2,0,0]=4 1105 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [0,0,1,1,0,0|2,0,0]=4 1106 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,0,1,1,0,0|2,0,0]=4 1107 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,0,1,1,0,0|2,0,0]=4 1108 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [0,0,1,1,0,0|2,0,0]=4 1109 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [0,0,1,1,0,0|2,0,0]=4 1110 B9R1.58 CCC1CN(C1)CCO 2230a_100015205115_100000211926 [0,0,1,1,0,0|2,0,0]=4 1111 B9R1.58 CCC1CN(C1)CCO 269982a_100015205115_100000211926 [0,0,1,1,0,0|2,0,0]=4 1112 B9R1.58 CCCN1CC(C1)CO 269982a_100016987283_100000210303 [0,0,1,1,0,0|2,0,0]=4 1113 B9R1.58 CCCN1CC(C1)CO 34a_100016987283_100000210303 [0,0,1,1,0,0|2,0,0]=4 1114 B9R1.58 OCC1CN(C1)CCF 269982a_100016987283_100011217306 [0,0,1,1,0,0|2,0,0]=4 1115 B9R1.58 OCC1CN(C1)CCF 34a_100016987283_100011217306 [0,0,1,1,0,0|2,0,0]=4 1116 B9R1.58 OCCN1CC(C1)CF 269982a_100010363649_100000211926 [0,0,1,1,0,0|2,0,0]=4 1117 B9R1.58 OCCN1CC(C1)CF 34a_100010363649_100000211926 [0,0,1,1,0,0|2,0,0]=4 1118 B9R1.58 OCCN1CC(C1)CO 269982a_100016987283_100000211926 [0,0,1,1,0,0|1,0,0]=3 1119 B9R1.58 OCCN1CC(C1)CO 34a_100016987283_100000211926 [0,0,1,1,0,0|1,0,0]=3 1120 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,0,1,1,0,0|2,0,0]=4 1121 B9R1.79 C[C@@H](CO)CN1CCC1 269982a_100000754969_100000059175 [0,0,1,1,0,0|2,0,0]=4 1122 B9R1.80 CC(CO)CNC1CC1 34a_100000744482_100000211595 [0,0,1,1,0,0|2,0,0]=4 1123 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [0,0,1,1,0,0|2,0,0]=4 1124 B9R1.80 C[C@@H](CO)CNC1CC1 34a_100000212008_100000059175 [0,0,1,1,0,0|2,0,0]=4 1125 B9R1.80 OCC(O)CNC1CC1 34a_100000212008_100011219619 [0,0,1,1,0,0|1,0,0]=3 1126 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,0,1,1,0,0|2,0,0]=4 1127 B9R1.80 OC[C@H](F)CNC1CC1 34a_100015665980_100000211595 [0,0,1,1,0,0|2,0,0]=4 1128 B9R1.80 OC[C@H](O)CNC1CC1 34a_100000212008_100009815848 [0,0,1,1,0,0|1,0,0]=3 1129 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,0,1,1,0,0|2,0,0]=4 1130 B9R1.80 O[C@@H](CF)CNC1CC1 34a_100000212008_100015614560 [0,0,1,1,0,0|2,0,0]=4 1131 B9R1.99 CC1(CC1)CNCCO 2230a_100000766693_100000211926 [0,0,1,1,0,0|2,0,0]=4 1132 B9R1.99 CC1(CO1)CNCCF 34a_100000724931_100000760498 [0,0,1,1,0,0|2,0,0]=4 1133 B9R1.99 CC1(CO1)CNCCO 34a_100016990907_100000760498 [0,0,1,1,0,0|1,0,0]=3 1134 B9R1.99 CC1(CO1)CSCCO 62a_100000211926_100000760498 [0,0,1,1,0,0|2,0,0]=4 1135 B9R1.99 CC1(CO1)CSCCO 62a_100000760498_100000211926 [0,0,1,1,0,0|2,0,0]=4 1136 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [0,0,1,1,0,0|2,0,0]=4 1137 B9R1.99 OC1(CC1)CNCCF 2230a_100011936951_100011217306 [0,0,1,1,0,0|2,0,0]=4 1138 B9R1.99 OCCNCC1(CC1)O 2230a_100011936951_100000211926 [0,0,1,1,0,0|1,0,0]=3 1139 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,0,1,1,0,0|2,0,0]=4 1140 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,0,1,1,0,0|2,0,0]=4 1141 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,0,1,1,0,0|2,0,0]=4 1142 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,0,1,1,0,0|2,0,0]=4 1143 B9R1.12 FCCNC1CCOC1 34a_100000724931_100000690089 [0,0,1,1,0,0|2,0,0]=4 1144 B9R1.12 FCCN[C@@H]1CCOC1 2230a_200015188469_100011217306 [0,0,1,1,0,0|2,0,0]=4 1145 B9R1.12 FCCN[C@H]1CCOC1 2230a_100015188467_100011217306 [0,0,1,1,0,0|2,0,0]=4 1146 B9R1.12 FCCN[C@H]1CCOC1 34a_100015188467_100011217306 [0,0,1,1,0,0|2,0,0]=4 1147 B9R1.12 OCCNC1CC=CC1 2230a_100015188752_100000211926 [0,0,1,1,0,0|2,0,0]=4 1148 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,0,1,1,0,0|2,0,0]=4 1149 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,0,1,1,0,0|2,0,0]=4 1150 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,0,1,1,0,0|2,0,0]=4 1151 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,0,1,1,0,0|2,0,0]=4 1152 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,0,1,1,0,0|2,0,0]=4 1153 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [0,0,1,1,0,0|1,0,0]=3 1154 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [0,0,1,1,0,0|1,0,0]=3 1155 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [0,0,1,1,0,0|1,0,0]=3 1156 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [0,0,1,1,0,0|1,1,0]=4 1157 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [0,0,1,1,0,0|1,0,0]=3 1158 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [0,0,1,1,0,0|1,0,0]=3 1159 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [0,0,1,1,0,0|1,0,0]=3 1160 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,0,1,1,0,0|2,0,0]=4 1161 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,0,1,1,0,0|2,0,0]=4 1162 B9R1.193 CCC1(CC1)NCCO 2230a_100000732774_100000211926 [0,0,1,1,0,0|2,0,0]=4 1163 B9R1.193 OCCNC1(CC1)CF 2230a_100000054953_100000211926 [0,0,1,1,0,0|2,0,0]=4 1164 B9R1.193 OCCNC1(CC1)CF 34a_100000054953_100000211926 [0,0,1,1,0,0|2,0,0]=4 1165 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [1,0,0,0,1,0|2,0,0]=4 1166 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [1,0,0,0,1,0|2,0,0]=4 1167 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [1,0,0,0,1,0|2,0,0]=4 1168 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [1,0,0,0,1,0|2,0,0]=4 1169 B7R1.10 OC1CN(C1)CF 269982a_100000749847_100015361967 [1,0,0,0,1,0|2,0,0]=4 1170 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [1,0,0,0,1,0|2,0,0]=4 1171 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [1,0,0,0,1,0|2,0,0]=4 1172 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [1,0,0,0,1,0|2,0,0]=4 1173 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [1,0,0,0,1,0|2,0,0]=4 1174 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [1,0,0,0,1,0|2,0,0]=4 1175 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [1,0,0,0,1,0|2,0,0]=4 1176 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [1,0,0,0,1,0|2,0,0]=4